NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
568589 | 2mf9 | 6923 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! distance constraints : ASSI { 1} (( segid " " and resid 15 and name HA )) ( segid " " and resid 14 and name HB% ) 5.200 5.200 0.800 peak 1 spectrum 1 weight 0.11000E+01 volume 0.21643E-03 ppm1 4.322 ppm2 1.408 CV 1 ASSI { 3} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HA )) 3.300 1.400 1.400 peak 3 spectrum 1 weight 0.11000E+01 volume 0.59546E-03 ppm1 1.428 ppm2 4.357 CV 1 ASSI { 6} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HA )) 3.700 1.700 1.700 peak 6 spectrum 1 weight 0.11000E+01 volume 0.86142E-03 ppm1 1.171 ppm2 4.268 CV 1 ASSI { 7} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 101 and name HG )) 4.000 2.000 2.000 peak 7 spectrum 1 weight 0.11000E+01 volume 0.68223E-03 ppm1 1.608 ppm2 1.818 CV 1 ASSI { 9} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HB1 )) 2.400 0.700 0.700 peak 9 spectrum 1 weight 0.11000E+01 volume 0.16630E-02 ppm1 1.175 ppm2 1.606 CV 1 ASSI { 15} (( segid " " and resid 101 and name HB2 )) ( segid " " and resid 101 and name HD2%) 4.800 2.800 1.200 peak 15 spectrum 1 weight 0.11000E+01 volume 0.54100E-03 ppm1 1.173 ppm2 0.519 CV 1 ASSI { 16} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 101 and name HA )) 5.300 3.500 0.700 peak 16 spectrum 1 weight 0.11000E+01 volume 0.45135E-03 ppm1 0.681 ppm2 4.272 CV 1 ASSI { 17} ( segid " " and resid 101 and name HD1%) ( segid " " and resid 101 and name HD2%) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.11000E+01 volume 0.22230E-02 ppm1 0.675 ppm2 0.518 CV 1 ASSI { 19} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 101 and name HA )) 4.300 2.300 1.700 peak 19 spectrum 1 weight 0.11000E+01 volume 0.20799E-03 ppm1 0.516 ppm2 4.269 CV 1 ASSI { 20} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 101 and name HG )) 2.900 1.000 1.000 peak 20 spectrum 1 weight 0.11000E+01 volume 0.25595E-02 ppm1 0.682 ppm2 1.813 CV 1 ASSI { 21} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 101 and name HB1 )) 3.200 1.300 1.300 peak 21 spectrum 1 weight 0.11000E+01 volume 0.19066E-02 ppm1 0.693 ppm2 1.607 CV 1 ASSI { 22} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 22 spectrum 1 weight 0.11000E+01 volume 0.29581E-02 ppm1 0.701 ppm2 1.139 CV 1 ASSI { 26} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 101 and name HB1 )) 3.000 1.200 1.200 peak 26 spectrum 1 weight 0.11000E+01 volume 0.18740E-02 ppm1 0.523 ppm2 1.619 CV 1 ASSI { 27} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HB1 )) 2.300 0.600 0.600 peak 27 spectrum 1 weight 0.11000E+01 volume 0.17586E-02 ppm1 1.433 ppm2 1.956 CV 1 ASSI { 30} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HA1 )) 3.200 1.300 1.300 peak 30 spectrum 1 weight 0.11000E+01 volume 0.63702E-02 ppm1 4.365 ppm2 4.274 CV 1 ASSI { 34} (( segid " " and resid 90 and name HG )) (( segid " " and resid 90 and name HB2 )) 3.300 3.300 2.700 peak 34 spectrum 1 weight 0.11000E+01 volume 0.15935E-02 ppm1 1.537 ppm2 1.419 CV 1 ASSI { 36} (( segid " " and resid 90 and name HG )) (( segid " " and resid 90 and name HA )) 3.600 1.700 1.700 peak 36 spectrum 1 weight 0.11000E+01 volume 0.65348E-03 ppm1 1.583 ppm2 4.375 CV 1 ASSI { 39} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HA )) 2.500 0.800 0.800 peak 39 spectrum 1 weight 0.11000E+01 volume 0.22671E-02 ppm1 1.058 ppm2 4.354 CV 1 ASSI { 40} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 90 and name HA )) 4.300 2.400 1.700 peak 40 spectrum 1 weight 0.11000E+01 volume 0.10222E-02 ppm1 0.749 ppm2 4.342 CV 1 ASSI { 42} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 90 and name HG )) 2.400 0.700 0.700 peak 42 spectrum 1 weight 0.11000E+01 volume 0.49335E-02 ppm1 0.761 ppm2 1.599 CV 1 ASSI { 50} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 90 and name HD1%) 3.100 1.200 1.200 peak 50 spectrum 1 weight 0.11000E+01 volume 0.94962E-03 ppm1 1.436 ppm2 1.054 CV 1 ASSI { 53} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HG )) 2.500 0.800 0.800 peak 53 spectrum 1 weight 0.11000E+01 volume 0.28997E-02 ppm1 1.057 ppm2 1.597 CV 1 ASSI { 55} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB1 )) 3.000 1.100 1.100 peak 55 spectrum 1 weight 0.11000E+01 volume 0.11234E-02 ppm1 4.294 ppm2 1.593 CV 1 ASSI { 58} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HG )) 3.900 1.900 1.900 peak 58 spectrum 1 weight 0.11000E+01 volume 0.52895E-03 ppm1 4.265 ppm2 1.807 CV 1 ASSI { 59} (( segid " " and resid 101 and name HG )) (( segid " " and resid 101 and name HB2 )) 3.500 1.500 1.500 peak 59 spectrum 1 weight 0.11000E+01 volume 0.53303E-03 ppm1 1.814 ppm2 1.178 CV 1 ASSI { 65} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 101 and name HG )) 3.500 1.500 1.500 peak 65 spectrum 1 weight 0.11000E+01 volume 0.71202E-03 ppm1 0.527 ppm2 1.809 CV 1 ASSI { 69} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 99 and name HD1%) 2.400 0.700 0.700 peak 69 spectrum 1 weight 0.11000E+01 volume 0.65299E-02 ppm1 1.330 ppm2 1.340 CV 1 OR { 69} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 99 and name HG )) ASSI { 70} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HB2 )) 2.200 0.600 0.600 peak 70 spectrum 1 weight 0.11000E+01 volume 0.30893E-02 ppm1 1.510 ppm2 1.344 CV 1 OR { 70} (( segid " " and resid 99 and name HB1 )) ( segid " " and resid 99 and name HD1%) ASSI { 74} (( segid " " and resid 99 and name HG )) ( segid " " and resid 99 and name HD1%) 2.300 0.700 0.700 peak 74 spectrum 1 weight 0.11000E+01 volume 0.48562E-02 ppm1 1.372 ppm2 1.307 CV 1 ASSI { 75} (( segid " " and resid 99 and name HA )) ( segid " " and resid 99 and name HD1%) 3.100 1.200 1.200 peak 75 spectrum 1 weight 0.11000E+01 volume 0.10792E-02 ppm1 4.193 ppm2 1.331 CV 1 OR { 75} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB2 )) ASSI { 79} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HA )) 3.600 1.700 1.700 peak 79 spectrum 1 weight 0.11000E+01 volume 0.28766E-02 ppm1 0.739 ppm2 4.193 CV 1 ASSI { 82} (( segid " " and resid 99 and name HG )) (( segid " " and resid 99 and name HB2 )) 2.200 2.200 3.800 peak 82 spectrum 1 weight 0.11000E+01 volume 0.17651E-01 ppm1 1.377 ppm2 1.373 CV 1 ASSI { 89} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HB1 )) 3.800 1.800 1.800 peak 89 spectrum 1 weight 0.11000E+01 volume 0.14044E-02 ppm1 1.294 ppm2 1.523 CV 1 ASSI { 90} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 99 and name HD1%) 2.600 0.900 0.900 peak 90 spectrum 1 weight 0.11000E+01 volume 0.36231E-02 ppm1 0.748 ppm2 1.315 CV 1 ASSI { 91} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HG )) 2.400 0.700 0.700 peak 91 spectrum 1 weight 0.11000E+01 volume 0.46357E-02 ppm1 0.748 ppm2 1.377 CV 1 OR { 91} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HB2 )) ASSI { 93} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HA )) 4.100 2.100 1.900 peak 93 spectrum 1 weight 0.11000E+01 volume 0.38047E-03 ppm1 2.052 ppm2 4.606 CV 1 ASSI { 94} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) 3.600 1.600 1.600 peak 94 spectrum 1 weight 0.11000E+01 volume 0.54912E-03 ppm1 1.291 ppm2 4.606 CV 1 ASSI { 98} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HB1 )) 2.300 0.600 0.600 peak 98 spectrum 1 weight 0.11000E+01 volume 0.21450E-02 ppm1 1.298 ppm2 2.048 CV 1 ASSI { 99} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HA )) 4.300 2.300 1.700 peak 99 spectrum 1 weight 0.11000E+01 volume 0.17554E-02 ppm1 0.811 ppm2 4.603 CV 1 ASSI { 100} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 86 and name HD2%) 3.200 1.300 1.300 peak 100 spectrum 1 weight 0.11000E+01 volume 0.10032E-02 ppm1 2.035 ppm2 0.781 CV 1 ASSI { 102} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 86 and name HD2%) 3.400 1.500 1.500 peak 102 spectrum 1 weight 0.11000E+01 volume 0.15836E-02 ppm1 1.314 ppm2 0.775 CV 1 ASSI { 106} (( segid " " and resid 86 and name HG )) (( segid " " and resid 86 and name HB2 )) 3.600 1.600 1.600 peak 106 spectrum 1 weight 0.11000E+01 volume 0.10819E-02 ppm1 1.614 ppm2 1.308 CV 1 ASSI { 109} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HG )) 4.800 2.900 1.200 peak 109 spectrum 1 weight 0.11000E+01 volume 0.11326E-03 ppm1 4.590 ppm2 1.591 CV 1 ASSI { 111} (( segid " " and resid 86 and name HA )) ( segid " " and resid 86 and name HD1%) 4.300 2.300 1.700 peak 111 spectrum 1 weight 0.11000E+01 volume 0.25886E-03 ppm1 4.598 ppm2 0.946 CV 1 ASSI { 115} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 86 and name HG )) 3.000 1.100 1.100 peak 115 spectrum 1 weight 0.11000E+01 volume 0.14630E-02 ppm1 2.040 ppm2 1.597 CV 1 ASSI { 119} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB2 )) 2.900 1.100 1.100 peak 119 spectrum 1 weight 0.11000E+01 volume 0.21840E-02 ppm1 0.952 ppm2 1.289 CV 1 ASSI { 121} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HB1 )) 3.900 1.900 1.900 peak 121 spectrum 1 weight 0.11000E+01 volume 0.18240E-02 ppm1 0.952 ppm2 2.059 CV 1 ASSI { 123} ( segid " " and resid 86 and name HD2%) ( segid " " and resid 86 and name HD1%) 2.800 1.000 1.000 peak 123 spectrum 1 weight 0.11000E+01 volume 0.44257E-02 ppm1 0.810 ppm2 0.956 CV 1 ASSI { 125} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 86 and name HG )) 2.700 0.900 0.900 peak 125 spectrum 1 weight 0.11000E+01 volume 0.43516E-02 ppm1 0.825 ppm2 1.603 CV 1 ASSI { 128} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 4.600 2.700 1.400 peak 128 spectrum 1 weight 0.11000E+01 volume 0.14271E-03 ppm1 4.730 ppm2 1.908 CV 1 ASSI { 129} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HB2 )) 2.100 0.500 0.500 peak 129 spectrum 1 weight 0.11000E+01 volume 0.27376E-02 ppm1 1.962 ppm2 1.922 CV 1 ASSI { 130} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 4.100 2.200 1.900 peak 130 spectrum 1 weight 0.11000E+01 volume 0.14871E-03 ppm1 4.733 ppm2 1.991 CV 1 ASSI { 132} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 72 and name HG2%) 2.200 2.200 3.800 peak 132 spectrum 1 weight 0.11000E+01 volume 0.65588E-01 ppm1 1.177 ppm2 1.177 CV 1 OR { 132} ( segid " " and resid 72 and name HG2%) ( segid " " and resid 74 and name HD1%) ASSI { 133} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB1 )) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.11000E+01 volume 0.13710E-02 ppm1 1.179 ppm2 2.004 CV 1 ASSI { 134} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 134 spectrum 1 weight 0.11000E+01 volume 0.85143E-03 ppm1 1.177 ppm2 1.897 CV 1 ASSI { 135} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) 5.500 3.800 0.500 peak 135 spectrum 1 weight 0.11000E+01 volume 0.19281E-03 ppm1 1.179 ppm2 4.763 CV 1 ASSI { 138} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 74 and name HD1%) 3.100 1.200 1.200 peak 138 spectrum 1 weight 0.11000E+01 volume 0.17392E-02 ppm1 0.843 ppm2 1.175 CV 1 ASSI { 140} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB1 )) 3.300 3.300 2.700 peak 140 spectrum 1 weight 0.11000E+01 volume 0.18274E-02 ppm1 0.841 ppm2 2.044 CV 1 ASSI { 144} (( segid " " and resid 74 and name HG )) ( segid " " and resid 74 and name HD2%) 2.700 0.900 0.900 peak 144 spectrum 1 weight 0.11000E+01 volume 0.27309E-02 ppm1 1.751 ppm2 0.839 CV 1 ASSI { 147} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG )) 6.000 6.000 0.000 peak 147 spectrum 1 weight 0.11000E+01 volume 0.22030E-04 ppm1 4.738 ppm2 1.748 CV 1 ASSI { 148} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 80 and name HG1%) 4.000 2.000 2.000 peak 148 spectrum 1 weight 0.11000E+01 volume 0.17343E-02 ppm1 1.950 ppm2 0.986 CV 1 OR { 148} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 80 and name HG1%) ASSI { 151} (( segid " " and resid 74 and name HG )) ( segid " " and resid 138 and name HD1%) 4.100 4.100 1.900 peak 151 spectrum 1 weight 0.11000E+01 volume 0.22560E-02 ppm1 1.735 ppm2 0.984 CV 1 ASSI { 152} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 138 and name HD1%) 4.100 4.100 1.900 peak 152 spectrum 1 weight 0.11000E+01 volume 0.16519E-02 ppm1 1.174 ppm2 0.985 CV 1 ASSI { 153} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 138 and name HD1%) 2.700 2.700 3.300 peak 153 spectrum 1 weight 0.11000E+01 volume 0.40990E-02 ppm1 0.827 ppm2 0.984 CV 1 ASSI { 156} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HA )) 3.800 1.800 1.800 peak 156 spectrum 1 weight 0.11000E+01 volume 0.71824E-03 ppm1 1.895 ppm2 5.381 CV 1 ASSI { 157} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 157 spectrum 1 weight 0.11000E+01 volume 0.10067E-02 ppm1 1.234 ppm2 5.382 CV 1 ASSI { 159} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.11000E+01 volume 0.19555E-02 ppm1 1.233 ppm2 1.895 CV 1 ASSI { 165} (( segid " " and resid 70 and name HG )) (( segid " " and resid 70 and name HB1 )) 3.200 1.300 1.300 peak 165 spectrum 1 weight 0.11000E+01 volume 0.20902E-02 ppm1 1.497 ppm2 1.918 CV 1 ASSI { 166} (( segid " " and resid 70 and name HG )) (( segid " " and resid 70 and name HA )) 3.900 1.900 1.900 peak 166 spectrum 1 weight 0.11000E+01 volume 0.50563E-03 ppm1 1.486 ppm2 5.381 CV 1 ASSI { 167} (( segid " " and resid 70 and name HG )) (( segid " " and resid 70 and name HB2 )) 3.300 1.300 1.300 peak 167 spectrum 1 weight 0.11000E+01 volume 0.77545E-03 ppm1 1.486 ppm2 1.230 CV 1 ASSI { 173} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HG )) 2.500 0.800 0.800 peak 173 spectrum 1 weight 0.11000E+01 volume 0.54609E-02 ppm1 0.956 ppm2 1.491 CV 1 ASSI { 176} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 70 and name HD1%) 3.700 1.800 1.800 peak 176 spectrum 1 weight 0.11000E+01 volume 0.75043E-03 ppm1 1.897 ppm2 0.952 CV 1 ASSI { 177} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 70 and name HD1%) 3.100 1.200 1.200 peak 177 spectrum 1 weight 0.11000E+01 volume 0.11571E-02 ppm1 1.262 ppm2 0.957 CV 1 ASSI { 179} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 70 and name HG )) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.11000E+01 volume 0.38776E-02 ppm1 0.799 ppm2 1.488 CV 1 ASSI { 181} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 70 and name HD1%) 2.300 2.300 3.700 peak 181 spectrum 1 weight 0.11000E+01 volume 0.12481E-01 ppm1 0.781 ppm2 0.944 CV 1 ASSI { 182} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 70 and name HB2 )) 3.800 1.800 1.800 peak 182 spectrum 1 weight 0.11000E+01 volume 0.23044E-02 ppm1 0.788 ppm2 1.239 CV 1 ASSI { 183} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 70 and name HB1 )) 2.800 1.000 1.000 peak 183 spectrum 1 weight 0.11000E+01 volume 0.27003E-02 ppm1 0.794 ppm2 1.897 CV 1 ASSI { 193} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 105 and name HB2 )) 2.300 0.700 0.700 peak 193 spectrum 1 weight 0.11000E+01 volume 0.20908E-02 ppm1 1.792 ppm2 1.703 CV 1 ASSI { 198} (( segid " " and resid 105 and name HG )) (( segid " " and resid 105 and name HB1 )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.11000E+01 volume 0.11554E-01 ppm1 1.611 ppm2 1.790 CV 1 ASSI { 203} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HG )) 3.600 3.600 2.400 peak 203 spectrum 1 weight 0.11000E+01 volume 0.42888E-03 ppm1 1.673 ppm2 1.627 CV 1 ASSI { 207} ( segid " " and resid 105 and name HD1%) ( segid " " and resid 105 and name HD2%) 2.500 2.500 3.500 peak 207 spectrum 1 weight 0.11000E+01 volume 0.76514E-02 ppm1 0.966 ppm2 0.848 CV 1 ASSI { 209} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 105 and name HG )) 2.500 0.800 0.800 peak 209 spectrum 1 weight 0.11000E+01 volume 0.51123E-02 ppm1 0.978 ppm2 1.625 CV 1 ASSI { 220} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 105 and name HB2 )) 3.800 1.800 1.800 peak 220 spectrum 1 weight 0.11000E+01 volume 0.22192E-02 ppm1 0.875 ppm2 1.711 CV 1 ASSI { 221} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 105 and name HG )) 2.600 0.800 0.800 peak 221 spectrum 1 weight 0.11000E+01 volume 0.54434E-02 ppm1 0.875 ppm2 1.624 CV 1 ASSI { 223} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB1 )) 3.100 1.200 1.200 peak 223 spectrum 1 weight 0.11000E+01 volume 0.27491E-02 ppm1 4.173 ppm2 1.596 CV 1 OR { 223} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) OR { 223} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG )) ASSI { 224} (( segid " " and resid 150 and name HA )) ( segid " " and resid 150 and name HD1%) 3.200 1.300 1.300 peak 224 spectrum 1 weight 0.11000E+01 volume 0.31611E-02 ppm1 4.172 ppm2 0.863 CV 1 OR { 224} (( segid " " and resid 150 and name HA )) ( segid " " and resid 150 and name HD2%) ASSI { 227} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HB1 )) 1.200 0.200 1.000 peak 227 spectrum 1 weight 0.11000E+01 volume 0.18833E+00 ppm1 1.594 ppm2 1.594 CV 1 OR { 227} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HB2 )) OR { 227} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HG )) ASSI { 228} (( segid " " and resid 150 and name HG )) (( segid " " and resid 150 and name HA )) 4.000 2.000 2.000 peak 228 spectrum 1 weight 0.11000E+01 volume 0.61963E-03 ppm1 1.540 ppm2 4.169 CV 1 ASSI { 230} ( segid " " and resid 150 and name HD1%) (( segid " " and resid 150 and name HA )) 3.100 1.200 1.200 peak 230 spectrum 1 weight 0.11000E+01 volume 0.37354E-02 ppm1 0.866 ppm2 4.171 CV 1 ASSI { 231} ( segid " " and resid 150 and name HD2%) (( segid " " and resid 150 and name HA )) 4.000 2.000 2.000 peak 231 spectrum 1 weight 0.11000E+01 volume 0.94493E-03 ppm1 0.856 ppm2 4.173 CV 1 ASSI { 232} ( segid " " and resid 150 and name HD1%) ( segid " " and resid 150 and name HD2%) 1.500 1.500 4.500 peak 232 spectrum 1 weight 0.11000E+01 volume 0.30731E+00 ppm1 0.861 ppm2 0.871 CV 1 ASSI { 234} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 150 and name HD2%) 2.700 0.900 0.900 peak 234 spectrum 1 weight 0.11000E+01 volume 0.80826E-02 ppm1 1.594 ppm2 0.862 CV 1 OR { 234} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 150 and name HD1%) OR { 234} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 150 and name HD2%) OR { 234} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 150 and name HD1%) ASSI { 235} ( segid " " and resid 150 and name HD1%) (( segid " " and resid 150 and name HG )) 2.500 0.800 0.800 peak 235 spectrum 1 weight 0.11000E+01 volume 0.87155E-02 ppm1 0.868 ppm2 1.589 CV 1 OR { 235} ( segid " " and resid 150 and name HD1%) (( segid " " and resid 150 and name HB1 )) OR { 235} ( segid " " and resid 150 and name HD1%) (( segid " " and resid 150 and name HB2 )) ASSI { 236} ( segid " " and resid 150 and name HD2%) (( segid " " and resid 150 and name HG )) 2.800 1.000 1.000 peak 236 spectrum 1 weight 0.11000E+01 volume 0.44760E-02 ppm1 0.838 ppm2 1.585 CV 1 OR { 236} ( segid " " and resid 150 and name HD2%) (( segid " " and resid 150 and name HB2 )) OR { 236} ( segid " " and resid 150 and name HD2%) (( segid " " and resid 150 and name HB1 )) ASSI { 240} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HG )) 3.100 1.200 1.200 peak 240 spectrum 1 weight 0.11000E+01 volume 0.82911E-03 ppm1 1.707 ppm2 1.277 CV 1 ASSI { 241} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HG )) 3.700 1.800 1.800 peak 241 spectrum 1 weight 0.11000E+01 volume 0.60426E-03 ppm1 0.855 ppm2 1.277 CV 1 ASSI { 242} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HB1 )) 2.200 0.600 0.600 peak 242 spectrum 1 weight 0.11000E+01 volume 0.26405E-02 ppm1 0.841 ppm2 1.705 CV 1 ASSI { 243} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 44 and name HB2 )) 2.700 2.700 3.300 peak 243 spectrum 1 weight 0.11000E+01 volume 0.94756E-02 ppm1 1.723 ppm2 1.722 CV 1 OR { 243} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 45 and name HB1 )) ASSI { 244} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD1%) 2.700 2.700 3.300 peak 244 spectrum 1 weight 0.11000E+01 volume 0.32501E-02 ppm1 0.842 ppm2 0.833 CV 1 ASSI { 245} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 44 and name HD2%) 2.600 2.600 3.400 peak 245 spectrum 1 weight 0.11000E+01 volume 0.36854E-02 ppm1 1.700 ppm2 0.835 CV 1 ASSI { 247} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.900 1.000 1.000 peak 247 spectrum 1 weight 0.11000E+01 volume 0.10690E-02 ppm1 5.238 ppm2 0.870 CV 1 ASSI { 248} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 4.500 2.500 1.500 peak 248 spectrum 1 weight 0.11000E+01 volume 0.27776E-03 ppm1 5.224 ppm2 1.281 CV 1 ASSI { 252} (( segid " " and resid 45 and name HG )) ( segid " " and resid 45 and name HD1%) 2.700 0.900 0.900 peak 252 spectrum 1 weight 0.11000E+01 volume 0.26872E-02 ppm1 1.287 ppm2 0.795 CV 1 OR { 252} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB2 )) ASSI { 257} ( segid " " and resid 90 and name HD1%) ( segid " " and resid 90 and name HD2%) 2.400 0.700 0.700 peak 257 spectrum 1 weight 0.11000E+01 volume 0.76438E-02 ppm1 1.058 ppm2 0.754 CV 1 ASSI { 258} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 116 and name HB% ) 3.700 3.700 2.300 peak 258 spectrum 1 weight 0.11000E+01 volume 0.40110E-03 ppm1 0.870 ppm2 1.133 CV 1 ASSI { 263} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 45 and name HD2%) 2.600 0.900 0.900 peak 263 spectrum 1 weight 0.11000E+01 volume 0.49507E-02 ppm1 0.795 ppm2 0.519 CV 1 ASSI { 270} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD2%) 3.300 1.300 1.300 peak 270 spectrum 1 weight 0.11000E+01 volume 0.10332E-02 ppm1 0.843 ppm2 0.518 CV 1 ASSI { 275} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HB2 )) 2.100 2.100 3.900 peak 275 spectrum 1 weight 0.11000E+01 volume 0.45964E-02 ppm1 1.931 ppm2 1.730 CV 1 ASSI { 277} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 44 and name HA )) 3.900 1.900 1.900 peak 277 spectrum 1 weight 0.11000E+01 volume 0.38420E-03 ppm1 1.961 ppm2 4.380 CV 1 ASSI { 278} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) 4.100 2.100 1.900 peak 278 spectrum 1 weight 0.11000E+01 volume 0.44020E-03 ppm1 4.389 ppm2 1.699 CV 1 ASSI { 284} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HG )) 3.100 3.100 2.900 peak 284 spectrum 1 weight 0.11000E+01 volume 0.10791E-02 ppm1 1.729 ppm2 1.593 CV 1 ASSI { 286} (( segid " " and resid 44 and name HB1 )) ( segid " " and resid 44 and name HD2%) 4.100 2.100 1.900 peak 286 spectrum 1 weight 0.11000E+01 volume 0.99020E-03 ppm1 1.958 ppm2 0.831 CV 1 ASSI { 287} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 44 and name HA )) 3.400 1.400 1.400 peak 287 spectrum 1 weight 0.11000E+01 volume 0.41007E-02 ppm1 0.832 ppm2 4.383 CV 1 ASSI { 289} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 117 and name HB1 )) 6.000 6.000 0.000 peak 289 spectrum 1 weight 0.11000E+01 volume 0.33525E-03 ppm1 0.960 ppm2 2.479 CV 1 ASSI { 290} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 140 and name HD1%) 1.200 1.200 4.800 peak 290 spectrum 1 weight 0.11000E+01 volume 0.35952E+00 ppm1 0.937 ppm2 0.941 CV 1 OR { 290} ( segid " " and resid 140 and name HD1%) ( segid " " and resid 70 and name HD1%) ASSI { 292} (( segid " " and resid 44 and name HB1 )) ( segid " " and resid 44 and name HD1%) 2.900 1.100 1.100 peak 292 spectrum 1 weight 0.11000E+01 volume 0.20148E-02 ppm1 1.931 ppm2 0.965 CV 1 ASSI { 293} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 44 and name HD1%) 3.800 3.800 2.200 peak 293 spectrum 1 weight 0.11000E+01 volume 0.16910E-02 ppm1 1.733 ppm2 0.977 CV 1 ASSI { 294} (( segid " " and resid 44 and name HG )) ( segid " " and resid 44 and name HD1%) 2.600 0.900 0.900 peak 294 spectrum 1 weight 0.11000E+01 volume 0.34222E-02 ppm1 1.618 ppm2 0.940 CV 1 ASSI { 296} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HB1 )) 3.000 1.100 1.100 peak 296 spectrum 1 weight 0.11000E+01 volume 0.20668E-02 ppm1 1.583 ppm2 1.934 CV 1 ASSI { 299} (( segid " " and resid 44 and name HA )) (( segid " " and resid 117 and name HB2 )) 6.000 6.000 0.000 peak 299 spectrum 1 weight 0.11000E+01 volume 0.12730E-03 ppm1 4.426 ppm2 2.469 CV 1 ASSI { 306} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 44 and name HG )) 2.300 0.700 0.700 peak 306 spectrum 1 weight 0.11000E+01 volume 0.57499E-02 ppm1 0.834 ppm2 1.589 CV 1 ASSI { 313} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HB2 )) 2.200 0.600 0.600 peak 313 spectrum 1 weight 0.11000E+01 volume 0.46272E-02 ppm1 1.930 ppm2 1.731 CV 1 ASSI { 319} (( segid " " and resid 37 and name HG )) (( segid " " and resid 37 and name HB1 )) 2.900 1.100 1.100 peak 319 spectrum 1 weight 0.11000E+01 volume 0.21181E-02 ppm1 1.489 ppm2 1.916 CV 1 ASSI { 320} (( segid " " and resid 37 and name HG )) (( segid " " and resid 37 and name HA )) 4.000 2.000 2.000 peak 320 spectrum 1 weight 0.11000E+01 volume 0.49139E-03 ppm1 1.489 ppm2 4.577 CV 1 ASSI { 321} (( segid " " and resid 37 and name HG )) (( segid " " and resid 37 and name HB2 )) 3.600 1.600 1.600 peak 321 spectrum 1 weight 0.11000E+01 volume 0.15300E-02 ppm1 1.485 ppm2 1.729 CV 1 ASSI { 323} ( segid " " and resid 37 and name HD1%) ( segid " " and resid 37 and name HD2%) 1.600 1.600 4.400 peak 323 spectrum 1 weight 0.11000E+01 volume 0.17374E+00 ppm1 1.008 ppm2 1.006 CV 1 ASSI { 324} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 37 and name HD1%) 3.300 1.300 1.300 peak 324 spectrum 1 weight 0.11000E+01 volume 0.17373E-02 ppm1 1.733 ppm2 0.979 CV 1 OR { 324} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 37 and name HD2%) ASSI { 325} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 37 and name HD2%) 3.400 1.400 1.400 peak 325 spectrum 1 weight 0.11000E+01 volume 0.17953E-02 ppm1 1.930 ppm2 0.968 CV 1 OR { 325} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 37 and name HD1%) ASSI { 326} (( segid " " and resid 37 and name HG )) ( segid " " and resid 37 and name HD1%) 2.700 0.900 0.900 peak 326 spectrum 1 weight 0.11000E+01 volume 0.42971E-02 ppm1 1.495 ppm2 0.969 CV 1 OR { 326} (( segid " " and resid 37 and name HG )) ( segid " " and resid 37 and name HD2%) ASSI { 328} (( segid " " and resid 37 and name HA )) ( segid " " and resid 37 and name HD2%) 6.000 6.000 0.000 peak 328 spectrum 1 weight 0.11000E+01 volume 0.13573E-03 ppm1 4.590 ppm2 0.863 CV 1 ASSI { 330} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 330 spectrum 1 weight 0.11000E+01 volume 0.17739E-02 ppm1 0.996 ppm2 4.586 CV 1 ASSI { 335} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 335 spectrum 1 weight 0.11000E+01 volume 0.35689E-02 ppm1 1.009 ppm2 1.720 CV 1 ASSI { 336} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 37 and name HB1 )) 4.100 2.100 1.900 peak 336 spectrum 1 weight 0.11000E+01 volume 0.18382E-02 ppm1 0.987 ppm2 1.925 CV 1 ASSI { 337} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 37 and name HB1 )) 3.100 3.100 2.900 peak 337 spectrum 1 weight 0.11000E+01 volume 0.22016E-02 ppm1 0.984 ppm2 1.892 CV 1 ASSI { 348} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HA )) 4.100 2.100 1.900 peak 348 spectrum 1 weight 0.11000E+01 volume 0.36533E-03 ppm1 0.587 ppm2 4.604 CV 1 ASSI { 351} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HG )) 2.900 1.100 1.100 peak 351 spectrum 1 weight 0.11000E+01 volume 0.25219E-02 ppm1 0.810 ppm2 1.370 CV 1 ASSI { 352} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HB1 )) 2.700 0.900 0.900 peak 352 spectrum 1 weight 0.11000E+01 volume 0.37273E-02 ppm1 0.810 ppm2 1.813 CV 1 ASSI { 353} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HA )) 3.900 1.900 1.900 peak 353 spectrum 1 weight 0.11000E+01 volume 0.14436E-02 ppm1 0.810 ppm2 4.602 CV 1 ASSI { 354} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.11000E+01 volume 0.55748E-02 ppm1 0.826 ppm2 1.597 CV 1 ASSI { 369} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 40 and name HD2%) 2.700 0.900 0.900 peak 369 spectrum 1 weight 0.11000E+01 volume 0.56029E-02 ppm1 0.822 ppm2 0.593 CV 1 ASSI { 373} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HG )) 1.700 1.700 4.300 peak 373 spectrum 1 weight 0.11000E+01 volume 0.80850E-01 ppm1 1.536 ppm2 1.581 CV 1 ASSI { 374} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HB1 )) 2.000 0.500 0.500 peak 374 spectrum 1 weight 0.11000E+01 volume 0.57585E-02 ppm1 1.462 ppm2 1.568 CV 1 ASSI { 376} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HA )) 3.500 1.600 1.600 peak 376 spectrum 1 weight 0.11000E+01 volume 0.63218E-03 ppm1 1.543 ppm2 4.452 CV 1 ASSI { 377} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HA )) 4.300 2.300 1.700 peak 377 spectrum 1 weight 0.11000E+01 volume 0.57829E-03 ppm1 1.459 ppm2 4.454 CV 1 ASSI { 381} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB1 )) 3.800 1.900 1.900 peak 381 spectrum 1 weight 0.11000E+01 volume 0.43666E-03 ppm1 4.472 ppm2 1.574 CV 1 OR { 381} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG )) ASSI { 382} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HA )) 5.400 3.700 0.600 peak 382 spectrum 1 weight 0.11000E+01 volume 0.51396E-03 ppm1 0.835 ppm2 4.455 CV 1 ASSI { 383} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HG )) 2.400 0.700 0.700 peak 383 spectrum 1 weight 0.11000E+01 volume 0.67313E-02 ppm1 0.846 ppm2 1.572 CV 1 OR { 383} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HB1 )) ASSI { 384} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HB2 )) 2.800 1.000 1.000 peak 384 spectrum 1 weight 0.11000E+01 volume 0.24301E-02 ppm1 0.834 ppm2 1.472 CV 1 ASSI { 386} ( segid " " and resid 50 and name HD2%) ( segid " " and resid 50 and name HD1%) 2.300 0.700 0.700 peak 386 spectrum 1 weight 0.11000E+01 volume 0.11183E-01 ppm1 0.745 ppm2 0.843 CV 1 ASSI { 388} (( segid " " and resid 50 and name HG )) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 388 spectrum 1 weight 0.11000E+01 volume 0.84435E-03 ppm1 1.611 ppm2 4.449 CV 1 ASSI { 389} (( segid " " and resid 50 and name HG )) ( segid " " and resid 50 and name HD2%) 2.500 0.800 0.800 peak 389 spectrum 1 weight 0.11000E+01 volume 0.34854E-02 ppm1 1.611 ppm2 0.756 CV 1 ASSI { 390} (( segid " " and resid 50 and name HG )) ( segid " " and resid 50 and name HD1%) 2.500 0.800 0.800 peak 390 spectrum 1 weight 0.11000E+01 volume 0.32499E-02 ppm1 1.611 ppm2 0.829 CV 1 ASSI { 391} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HD2%) 3.800 1.800 1.800 peak 391 spectrum 1 weight 0.11000E+01 volume 0.79609E-03 ppm1 4.455 ppm2 0.751 CV 1 ASSI { 398} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 50 and name HB2 )) 4.200 2.200 1.800 peak 398 spectrum 1 weight 0.11000E+01 volume 0.12153E-02 ppm1 0.750 ppm2 1.467 CV 1 ASSI { 399} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 50 and name HG )) 2.400 0.700 0.700 peak 399 spectrum 1 weight 0.11000E+01 volume 0.55833E-02 ppm1 0.752 ppm2 1.574 CV 1 OR { 399} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 50 and name HB1 )) ASSI { 401} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HA )) 3.400 1.500 1.500 peak 401 spectrum 1 weight 0.11000E+01 volume 0.78699E-03 ppm1 1.414 ppm2 5.249 CV 1 ASSI { 402} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HB1 )) 2.500 0.800 0.800 peak 402 spectrum 1 weight 0.11000E+01 volume 0.17344E-02 ppm1 1.417 ppm2 1.894 CV 1 OR { 402} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HG )) ASSI { 404} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB1 )) 3.400 1.400 1.400 peak 404 spectrum 1 weight 0.11000E+01 volume 0.10418E-02 ppm1 5.264 ppm2 1.899 CV 1 OR { 404} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG )) ASSI { 408} (( segid " " and resid 138 and name HB1 )) (( segid " " and resid 138 and name HB2 )) 2.500 0.800 0.800 peak 408 spectrum 1 weight 0.11000E+01 volume 0.15120E-02 ppm1 1.878 ppm2 1.404 CV 1 ASSI { 410} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 138 and name HD2%) 4.000 2.000 2.000 peak 410 spectrum 1 weight 0.11000E+01 volume 0.48054E-03 ppm1 1.900 ppm2 0.877 CV 1 ASSI { 411} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 138 and name HD2%) 3.500 1.600 1.600 peak 411 spectrum 1 weight 0.11000E+01 volume 0.70487E-03 ppm1 1.436 ppm2 0.884 CV 1 ASSI { 413} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HG )) 2.800 1.000 1.000 peak 413 spectrum 1 weight 0.11000E+01 volume 0.28597E-02 ppm1 0.846 ppm2 1.912 CV 1 OR { 413} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HB1 )) ASSI { 414} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 138 and name HD1%) 5.300 3.500 0.700 peak 414 spectrum 1 weight 0.11000E+01 volume 0.17109E-03 ppm1 1.916 ppm2 1.095 CV 1 ASSI { 415} (( segid " " and resid 138 and name HG )) (( segid " " and resid 138 and name HA )) 3.900 2.000 2.000 peak 415 spectrum 1 weight 0.11000E+01 volume 0.42157E-03 ppm1 1.914 ppm2 5.248 CV 1 ASSI { 417} (( segid " " and resid 138 and name HG )) ( segid " " and resid 138 and name HD2%) 3.000 1.100 1.100 peak 417 spectrum 1 weight 0.11000E+01 volume 0.15319E-02 ppm1 1.911 ppm2 0.858 CV 1 ASSI { 418} (( segid " " and resid 138 and name HG )) (( segid " " and resid 138 and name HB2 )) 3.800 1.800 1.800 peak 418 spectrum 1 weight 0.11000E+01 volume 0.62552E-03 ppm1 1.904 ppm2 1.439 CV 1 ASSI { 419} (( segid " " and resid 138 and name HG )) (( segid " " and resid 138 and name HB1 )) 2.000 0.500 0.500 peak 419 spectrum 1 weight 0.11000E+01 volume 0.13054E-01 ppm1 1.898 ppm2 1.915 CV 1 ASSI { 420} ( segid " " and resid 146 and name HG2%) ( segid " " and resid 147 and name HB% ) 1.900 1.900 4.100 peak 420 spectrum 1 weight 0.11000E+01 volume 0.23757E+00 ppm1 1.116 ppm2 1.118 CV 1 OR { 420} ( segid " " and resid 147 and name HB% ) ( segid " " and resid 146 and name HG2%) ASSI { 421} ( segid " " and resid 116 and name HB% ) ( segid " " and resid 138 and name HD1%) 2.200 2.200 3.800 peak 421 spectrum 1 weight 0.11000E+01 volume 0.44511E-01 ppm1 1.110 ppm2 1.109 CV 1 OR { 421} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 116 and name HB% ) ASSI { 422} ( segid " " and resid 138 and name HD1%) ( segid " " and resid 138 and name HD2%) 2.900 1.000 1.000 peak 422 spectrum 1 weight 0.11000E+01 volume 0.29981E-02 ppm1 1.118 ppm2 0.851 CV 1 ASSI { 423} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 138 and name HA )) 3.300 3.300 2.700 peak 423 spectrum 1 weight 0.11000E+01 volume 0.10052E-02 ppm1 1.107 ppm2 5.226 CV 1 ASSI { 428} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HB1 )) 2.300 0.700 0.700 peak 428 spectrum 1 weight 0.11000E+01 volume 0.14996E-02 ppm1 1.302 ppm2 1.886 CV 1 ASSI { 431} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB1 )) 3.100 1.200 1.200 peak 431 spectrum 1 weight 0.11000E+01 volume 0.89115E-03 ppm1 5.286 ppm2 1.891 CV 1 ASSI { 432} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HA )) 4.100 2.100 1.900 peak 432 spectrum 1 weight 0.11000E+01 volume 0.66446E-03 ppm1 1.662 ppm2 5.297 CV 1 ASSI { 435} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB2 )) 2.600 0.900 0.900 peak 435 spectrum 1 weight 0.11000E+01 volume 0.25688E-02 ppm1 0.950 ppm2 1.301 CV 1 ASSI { 436} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HA )) 5.000 3.100 1.000 peak 436 spectrum 1 weight 0.11000E+01 volume 0.62902E-03 ppm1 0.705 ppm2 5.301 CV 1 ASSI { 447} (( segid " " and resid 140 and name HG )) ( segid " " and resid 140 and name HD1%) 2.500 0.800 0.800 peak 447 spectrum 1 weight 0.11000E+01 volume 0.38798E-02 ppm1 1.615 ppm2 0.952 CV 1 ASSI { 448} (( segid " " and resid 140 and name HG )) (( segid " " and resid 140 and name HB2 )) 3.500 1.500 1.500 peak 448 spectrum 1 weight 0.11000E+01 volume 0.93703E-03 ppm1 1.630 ppm2 1.301 CV 1 ASSI { 449} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HB2 )) 2.300 0.600 0.600 peak 449 spectrum 1 weight 0.11000E+01 volume 0.10161E-01 ppm1 1.693 ppm2 1.885 CV 1 OR { 449} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB1 )) OR { 449} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB2 )) OR { 449} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HB1 )) ASSI { 451} ( segid " " and resid 140 and name HD2%) ( segid " " and resid 140 and name HD1%) 2.800 1.000 1.000 peak 451 spectrum 1 weight 0.11000E+01 volume 0.35538E-02 ppm1 0.699 ppm2 0.959 CV 1 ASSI { 452} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HG )) 2.600 0.800 0.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.35438E-02 ppm1 0.716 ppm2 1.667 CV 1 ASSI { 453} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB1 )) 2.600 0.900 0.900 peak 453 spectrum 1 weight 0.11000E+01 volume 0.24183E-02 ppm1 0.710 ppm2 1.883 CV 1 ASSI { 454} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 140 and name HB2 )) 3.300 1.400 1.400 peak 454 spectrum 1 weight 0.11000E+01 volume 0.23379E-02 ppm1 0.710 ppm2 1.307 CV 1 ASSI { 456} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 456 spectrum 1 weight 0.11000E+01 volume 0.16935E-02 ppm1 0.901 ppm2 4.503 CV 1 ASSI { 457} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HB )) 2.600 0.800 0.800 peak 457 spectrum 1 weight 0.11000E+01 volume 0.54044E-02 ppm1 0.908 ppm2 2.064 CV 1 ASSI { 459} (( segid " " and resid 51 and name HB )) (( segid " " and resid 51 and name HA )) 4.700 2.700 1.300 peak 459 spectrum 1 weight 0.11000E+01 volume 0.17074E-03 ppm1 2.069 ppm2 4.500 CV 1 ASSI { 467} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 51 and name HB )) 2.600 0.800 0.800 peak 467 spectrum 1 weight 0.11000E+01 volume 0.54441E-02 ppm1 1.068 ppm2 2.057 CV 1 ASSI { 470} ( segid " " and resid 51 and name HG1%) ( segid " " and resid 51 and name HG2%) 2.500 0.800 0.800 peak 470 spectrum 1 weight 0.11000E+01 volume 0.10501E-01 ppm1 1.069 ppm2 0.913 CV 1 ASSI { 473} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HA )) 3.100 1.200 1.200 peak 473 spectrum 1 weight 0.11000E+01 volume 0.21412E-02 ppm1 1.987 ppm2 4.412 CV 1 ASSI { 480} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HB )) 2.700 0.900 0.900 peak 480 spectrum 1 weight 0.11000E+01 volume 0.49457E-02 ppm1 0.808 ppm2 1.998 CV 1 ASSI { 484} (( segid " " and resid 61 and name HB )) ( segid " " and resid 61 and name HG1%) 2.800 1.000 1.000 peak 484 spectrum 1 weight 0.11000E+01 volume 0.45003E-02 ppm1 1.996 ppm2 0.935 CV 1 ASSI { 486} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 61 and name HG1%) 2.700 0.900 0.900 peak 486 spectrum 1 weight 0.11000E+01 volume 0.75313E-02 ppm1 0.795 ppm2 0.939 CV 1 ASSI { 494} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 494 spectrum 1 weight 0.11000E+01 volume 0.49254E-02 ppm1 0.846 ppm2 4.269 CV 1 ASSI { 495} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 65 and name HB )) 2.500 0.800 0.800 peak 495 spectrum 1 weight 0.11000E+01 volume 0.54958E-02 ppm1 0.861 ppm2 1.732 CV 1 ASSI { 501} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 65 and name HG1%) 2.500 0.800 0.800 peak 501 spectrum 1 weight 0.11000E+01 volume 0.92087E-02 ppm1 0.468 ppm2 0.858 CV 1 ASSI { 508} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 66 and name HB )) 2.400 0.700 0.700 peak 508 spectrum 1 weight 0.11000E+01 volume 0.44113E-02 ppm1 0.681 ppm2 1.694 CV 1 ASSI { 510} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 66 and name HG1%) 2.500 0.800 0.800 peak 510 spectrum 1 weight 0.11000E+01 volume 0.47076E-02 ppm1 0.024 ppm2 0.678 CV 1 ASSI { 532} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 68 and name HG2%) 2.400 2.400 3.600 peak 532 spectrum 1 weight 0.11000E+01 volume 0.65375E-02 ppm1 1.112 ppm2 0.943 CV 1 ASSI { 536} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB )) 2.900 1.100 1.100 peak 536 spectrum 1 weight 0.11000E+01 volume 0.26119E-02 ppm1 4.410 ppm2 2.023 CV 1 ASSI { 542} ( segid " " and resid 80 and name HG2%) ( segid " " and resid 80 and name HG1%) 2.300 2.300 3.700 peak 542 spectrum 1 weight 0.11000E+01 volume 0.93552E-02 ppm1 0.783 ppm2 0.935 CV 1 ASSI { 547} (( segid " " and resid 80 and name HB )) ( segid " " and resid 80 and name HG1%) 2.800 2.800 3.200 peak 547 spectrum 1 weight 0.11000E+01 volume 0.29326E-02 ppm1 2.006 ppm2 0.909 CV 1 ASSI { 550} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HB )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.11000E+01 volume 0.52448E-02 ppm1 0.795 ppm2 1.992 CV 1 ASSI { 555} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 87 and name HB )) 2.600 0.900 0.900 peak 555 spectrum 1 weight 0.11000E+01 volume 0.53781E-02 ppm1 0.986 ppm2 1.892 CV 1 ASSI { 565} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HB )) 2.600 0.800 0.800 peak 565 spectrum 1 weight 0.11000E+01 volume 0.51984E-02 ppm1 0.733 ppm2 1.892 CV 1 ASSI { 576} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 95 and name HG1%) 2.600 0.800 0.800 peak 576 spectrum 1 weight 0.11000E+01 volume 0.49266E-02 ppm1 0.092 ppm2 0.325 CV 1 ASSI { 584} (( segid " " and resid 103 and name HB )) ( segid " " and resid 103 and name HG2%) 2.600 0.800 0.800 peak 584 spectrum 1 weight 0.11000E+01 volume 0.17963E-02 ppm1 2.300 ppm2 1.041 CV 1 ASSI { 588} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 103 and name HG2%) 2.400 0.700 0.700 peak 588 spectrum 1 weight 0.11000E+01 volume 0.52771E-02 ppm1 1.305 ppm2 1.033 CV 1 ASSI { 589} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 103 and name HB )) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.11000E+01 volume 0.25007E-02 ppm1 1.304 ppm2 2.301 CV 1 ASSI { 603} ( segid " " and resid 108 and name HG1%) ( segid " " and resid 108 and name HG2%) 2.200 2.200 3.800 peak 603 spectrum 1 weight 0.11000E+01 volume 0.17849E-01 ppm1 0.950 ppm2 0.845 CV 1 ASSI { 609} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 108 and name HB )) 2.600 0.800 0.800 peak 609 spectrum 1 weight 0.11000E+01 volume 0.41007E-02 ppm1 0.945 ppm2 2.057 CV 1 ASSI { 611} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HB )) 2.400 0.700 0.700 peak 611 spectrum 1 weight 0.11000E+01 volume 0.43517E-02 ppm1 0.841 ppm2 2.057 CV 1 ASSI { 619} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 114 and name HB )) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.11000E+01 volume 0.54305E-02 ppm1 0.888 ppm2 2.045 CV 1 ASSI { 620} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 114 and name HG1%) 1.400 1.400 4.600 peak 620 spectrum 1 weight 0.11000E+01 volume 0.23821E+00 ppm1 0.856 ppm2 0.860 CV 1 ASSI { 623} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 114 and name HB )) 2.400 0.700 0.700 peak 623 spectrum 1 weight 0.11000E+01 volume 0.62138E-02 ppm1 0.907 ppm2 2.063 CV 1 ASSI { 634} ( segid " " and resid 142 and name HG2%) ( segid " " and resid 142 and name HG1%) 2.000 2.000 4.000 peak 634 spectrum 1 weight 0.11000E+01 volume 0.21351E-01 ppm1 0.846 ppm2 0.932 CV 1 ASSI { 636} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 142 and name HA )) 3.000 1.100 1.100 peak 636 spectrum 1 weight 0.11000E+01 volume 0.15475E-02 ppm1 0.928 ppm2 5.054 CV 1 ASSI { 637} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HB )) 2.100 0.600 0.600 peak 637 spectrum 1 weight 0.11000E+01 volume 0.11542E-01 ppm1 0.855 ppm2 1.968 CV 1 ASSI { 648} ( segid " " and resid 148 and name HG1%) (( segid " " and resid 148 and name HA )) 4.100 2.100 1.900 peak 648 spectrum 1 weight 0.11000E+01 volume 0.40025E-03 ppm1 0.882 ppm2 4.586 CV 1 ASSI { 649} ( segid " " and resid 148 and name HG1%) ( segid " " and resid 148 and name HG2%) 1.400 1.400 4.600 peak 649 spectrum 1 weight 0.11000E+01 volume 0.29027E+00 ppm1 0.885 ppm2 0.902 CV 1 ASSI { 650} ( segid " " and resid 148 and name HG1%) (( segid " " and resid 148 and name HB )) 2.700 0.900 0.900 peak 650 spectrum 1 weight 0.11000E+01 volume 0.55061E-02 ppm1 0.902 ppm2 2.123 CV 1 ASSI { 656} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 49 and name HB )) 2.700 0.900 0.900 peak 656 spectrum 1 weight 0.11000E+01 volume 0.36568E-02 ppm1 1.050 ppm2 3.826 CV 1 ASSI { 667} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 67 and name HB )) 2.600 0.800 0.800 peak 667 spectrum 1 weight 0.11000E+01 volume 0.39731E-02 ppm1 1.066 ppm2 3.989 CV 1 ASSI { 674} (( segid " " and resid 72 and name HB )) (( segid " " and resid 72 and name HA )) 3.300 1.400 1.400 peak 674 spectrum 1 weight 0.11000E+01 volume 0.68887E-03 ppm1 4.024 ppm2 4.905 CV 1 ASSI { 681} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HA )) 2.300 0.700 0.700 peak 681 spectrum 1 weight 0.11000E+01 volume 0.13394E-01 ppm1 4.060 ppm2 4.065 CV 1 ASSI { 682} (( segid " " and resid 78 and name HB )) ( segid " " and resid 78 and name HG2%) 3.000 1.100 1.100 peak 682 spectrum 1 weight 0.11000E+01 volume 0.25592E-02 ppm1 4.064 ppm2 1.238 CV 1 ASSI { 684} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.400 0.700 0.700 peak 684 spectrum 1 weight 0.11000E+01 volume 0.94475E-02 ppm1 1.237 ppm2 4.066 CV 1 OR { 684} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) ASSI { 688} (( segid " " and resid 89 and name HB )) (( segid " " and resid 89 and name HA )) 4.400 2.400 1.600 peak 688 spectrum 1 weight 0.11000E+01 volume 0.23685E-03 ppm1 4.145 ppm2 4.588 CV 1 ASSI { 707} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 115 and name HB )) 2.700 0.900 0.900 peak 707 spectrum 1 weight 0.11000E+01 volume 0.42282E-02 ppm1 1.121 ppm2 4.110 CV 1 ASSI { 721} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 146 and name HB )) 2.600 0.800 0.800 peak 721 spectrum 1 weight 0.11000E+01 volume 0.52319E-02 ppm1 1.111 ppm2 4.059 CV 1 ASSI { 727} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HA )) 1.800 1.800 4.200 peak 727 spectrum 1 weight 0.11000E+01 volume 0.15429E+00 ppm1 4.292 ppm2 4.292 CV 1 OR { 727} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HA )) ASSI { 729} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 9 and name HA )) 3.300 1.300 1.300 peak 729 spectrum 1 weight 0.11000E+01 volume 0.20339E-02 ppm1 1.404 ppm2 4.296 CV 1 ASSI { 730} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HB% ) 2.800 1.000 1.000 peak 730 spectrum 1 weight 0.11000E+01 volume 0.53594E-02 ppm1 4.288 ppm2 1.409 CV 1 ASSI { 732} ( segid " " and resid 21 and name HB% ) ( segid " " and resid 22 and name HB% ) 1.100 1.100 4.900 peak 732 spectrum 1 weight 0.11000E+01 volume 0.15666E+01 ppm1 1.405 ppm2 1.406 CV 1 ASSI { 741} ( segid " " and resid 30 and name HB% ) (( segid " " and resid 30 and name HA )) 3.700 1.700 1.700 peak 741 spectrum 1 weight 0.11000E+01 volume 0.96780E-03 ppm1 1.480 ppm2 4.474 CV 1 ASSI { 749} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 112 and name HA )) 2.400 0.700 0.700 peak 749 spectrum 1 weight 0.11000E+01 volume 0.38460E-02 ppm1 1.537 ppm2 5.191 CV 1 ASSI { 753} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 116 and name HA )) 2.400 0.700 0.700 peak 753 spectrum 1 weight 0.11000E+01 volume 0.47308E-02 ppm1 1.109 ppm2 5.354 CV 1 ASSI { 763} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 147 and name HA )) 2.600 0.800 0.800 peak 763 spectrum 1 weight 0.11000E+01 volume 0.43560E-02 ppm1 1.129 ppm2 5.022 CV 1 ASSI { 765} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB )) 3.700 1.700 1.700 peak 765 spectrum 1 weight 0.11000E+01 volume 0.69735E-03 ppm1 3.463 ppm2 1.629 CV 1 ASSI { 772} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 39 and name HG11)) 2.200 0.600 0.600 peak 772 spectrum 1 weight 0.11000E+01 volume 0.19619E-02 ppm1 0.994 ppm2 1.811 CV 1 ASSI { 775} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 39 and name HB )) 2.700 0.900 0.900 peak 775 spectrum 1 weight 0.11000E+01 volume 0.16680E-02 ppm1 1.811 ppm2 1.635 CV 1 ASSI { 776} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG11)) 3.900 1.900 1.900 peak 776 spectrum 1 weight 0.11000E+01 volume 0.89821E-03 ppm1 3.467 ppm2 1.809 CV 1 ASSI { 777} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HG12)) 2.800 1.000 1.000 peak 777 spectrum 1 weight 0.11000E+01 volume 0.19810E-02 ppm1 3.467 ppm2 0.988 CV 1 ASSI { 778} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HA )) 2.900 1.000 1.000 peak 778 spectrum 1 weight 0.11000E+01 volume 0.30093E-02 ppm1 0.789 ppm2 3.471 CV 1 ASSI { 779} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HG11)) 3.800 1.800 1.800 peak 779 spectrum 1 weight 0.11000E+01 volume 0.17715E-02 ppm1 0.788 ppm2 1.811 CV 1 ASSI { 780} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HB )) 2.500 0.800 0.800 peak 780 spectrum 1 weight 0.11000E+01 volume 0.37974E-02 ppm1 0.788 ppm2 1.628 CV 1 ASSI { 781} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HG12)) 2.600 0.900 0.900 peak 781 spectrum 1 weight 0.11000E+01 volume 0.46538E-02 ppm1 0.791 ppm2 0.987 CV 1 ASSI { 782} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 39 and name HD1%) 1.700 1.700 4.300 peak 782 spectrum 1 weight 0.11000E+01 volume 0.48111E-01 ppm1 0.787 ppm2 0.788 CV 1 ASSI { 783} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HG2%) 3.100 1.200 1.200 peak 783 spectrum 1 weight 0.11000E+01 volume 0.27226E-02 ppm1 3.465 ppm2 0.784 CV 1 OR { 783} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD1%) ASSI { 785} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HG12)) 2.300 0.700 0.700 peak 785 spectrum 1 weight 0.11000E+01 volume 0.54408E-02 ppm1 0.765 ppm2 0.992 CV 1 ASSI { 786} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HB )) 3.000 1.100 1.100 peak 786 spectrum 1 weight 0.11000E+01 volume 0.19276E-02 ppm1 0.761 ppm2 1.631 CV 1 ASSI { 787} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HG11)) 2.400 0.700 0.700 peak 787 spectrum 1 weight 0.11000E+01 volume 0.40006E-02 ppm1 0.761 ppm2 1.807 CV 1 ASSI { 788} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HA )) 4.700 2.800 1.300 peak 788 spectrum 1 weight 0.11000E+01 volume 0.85820E-03 ppm1 0.764 ppm2 3.477 CV 1 ASSI { 789} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HG2%) 2.600 0.900 0.900 peak 789 spectrum 1 weight 0.11000E+01 volume 0.30689E-02 ppm1 1.631 ppm2 0.781 CV 1 OR { 789} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HD1%) ASSI { 790} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HG12)) 3.700 1.800 1.800 peak 790 spectrum 1 weight 0.11000E+01 volume 0.72599E-03 ppm1 1.633 ppm2 0.994 CV 1 ASSI { 792} (( segid " " and resid 39 and name HG11)) ( segid " " and resid 39 and name HD1%) 2.800 1.000 1.000 peak 792 spectrum 1 weight 0.11000E+01 volume 0.22749E-02 ppm1 1.808 ppm2 0.767 CV 1 OR { 792} (( segid " " and resid 39 and name HG11)) ( segid " " and resid 39 and name HG2%) ASSI { 793} (( segid " " and resid 39 and name HG12)) ( segid " " and resid 39 and name HD1%) 2.700 0.900 0.900 peak 793 spectrum 1 weight 0.11000E+01 volume 0.27648E-02 ppm1 0.984 ppm2 0.766 CV 1 OR { 793} (( segid " " and resid 39 and name HG12)) ( segid " " and resid 39 and name HG2%) ASSI { 804} ( segid " " and resid 96 and name HG2%) ( segid " " and resid 96 and name HD1%) 2.600 2.600 3.400 peak 804 spectrum 1 weight 0.11000E+01 volume 0.49091E-02 ppm1 0.280 ppm2 0.752 CV 1 ASSI { 811} (( segid " " and resid 96 and name HG11)) ( segid " " and resid 96 and name HG2%) 4.200 2.200 1.800 peak 811 spectrum 1 weight 0.11000E+01 volume 0.72794E-03 ppm1 1.263 ppm2 0.279 CV 1 ASSI { 812} (( segid " " and resid 96 and name HG12)) (( segid " " and resid 96 and name HB )) 4.000 2.000 2.000 peak 812 spectrum 1 weight 0.11000E+01 volume 0.48504E-03 ppm1 1.148 ppm2 2.095 CV 1 ASSI { 813} (( segid " " and resid 96 and name HG11)) (( segid " " and resid 96 and name HG12)) 2.000 0.500 0.500 peak 813 spectrum 1 weight 0.11000E+01 volume 0.27014E-02 ppm1 1.261 ppm2 1.147 CV 1 ASSI { 815} (( segid " " and resid 96 and name HG11)) ( segid " " and resid 96 and name HD1%) 2.400 0.700 0.700 peak 815 spectrum 1 weight 0.11000E+01 volume 0.43757E-02 ppm1 1.292 ppm2 0.755 CV 1 ASSI { 816} (( segid " " and resid 96 and name HG12)) ( segid " " and resid 96 and name HD1%) 2.600 0.800 0.800 peak 816 spectrum 1 weight 0.11000E+01 volume 0.30180E-02 ppm1 1.160 ppm2 0.760 CV 1 ASSI { 819} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG12)) 4.900 3.000 1.100 peak 819 spectrum 1 weight 0.11000E+01 volume 0.21438E-03 ppm1 4.019 ppm2 1.149 CV 1 ASSI { 820} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG11)) 4.900 3.000 1.100 peak 820 spectrum 1 weight 0.11000E+01 volume 0.18359E-03 ppm1 4.013 ppm2 1.266 CV 1 ASSI { 823} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HG12)) 3.100 1.200 1.200 peak 823 spectrum 1 weight 0.11000E+01 volume 0.14582E-02 ppm1 0.280 ppm2 1.157 CV 1 ASSI { 830} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HA )) 3.200 1.300 1.300 peak 830 spectrum 1 weight 0.11000E+01 volume 0.15252E-02 ppm1 0.934 ppm2 4.111 CV 1 ASSI { 833} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HB )) 2.600 0.800 0.800 peak 833 spectrum 1 weight 0.11000E+01 volume 0.35164E-02 ppm1 0.933 ppm2 1.143 CV 1 ASSI { 834} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 132 and name HA )) 3.900 1.900 1.900 peak 834 spectrum 1 weight 0.11000E+01 volume 0.64472E-03 ppm1 0.459 ppm2 4.110 CV 1 ASSI { 837} ( segid " " and resid 132 and name HD1%) ( segid " " and resid 132 and name HG2%) 2.600 0.900 0.900 peak 837 spectrum 1 weight 0.11000E+01 volume 0.47516E-02 ppm1 0.458 ppm2 0.928 CV 1 ASSI { 839} (( segid " " and resid 132 and name HG11)) (( segid " " and resid 132 and name HA )) 3.900 1.900 1.900 peak 839 spectrum 1 weight 0.11000E+01 volume 0.38235E-03 ppm1 1.011 ppm2 4.116 CV 1 ASSI { 846} (( segid " " and resid 132 and name HG11)) (( segid " " and resid 132 and name HG12)) 2.200 2.200 3.800 peak 846 spectrum 1 weight 0.11000E+01 volume 0.35346E-02 ppm1 0.991 ppm2 0.761 CV 1 ASSI { 847} (( segid " " and resid 132 and name HG12)) (( segid " " and resid 132 and name HB )) 3.500 1.500 1.500 peak 847 spectrum 1 weight 0.11000E+01 volume 0.78127E-03 ppm1 0.710 ppm2 1.151 CV 1 ASSI { 848} (( segid " " and resid 132 and name HG12)) (( segid " " and resid 132 and name HG11)) 2.300 0.700 0.700 peak 848 spectrum 1 weight 0.11000E+01 volume 0.27807E-02 ppm1 0.733 ppm2 0.990 CV 1 OR { 848} (( segid " " and resid 132 and name HG12)) ( segid " " and resid 132 and name HG2%) ASSI { 850} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HG12)) 3.100 1.200 1.200 peak 850 spectrum 1 weight 0.11000E+01 volume 0.18031E-02 ppm1 0.928 ppm2 0.751 CV 1 ASSI { 851} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 132 and name HG11)) 3.500 1.500 1.500 peak 851 spectrum 1 weight 0.11000E+01 volume 0.13797E-02 ppm1 0.933 ppm2 1.007 CV 1 ASSI { 854} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 132 and name HG12)) 2.800 1.000 1.000 peak 854 spectrum 1 weight 0.11000E+01 volume 0.20531E-02 ppm1 0.463 ppm2 0.727 CV 1 ASSI { 858} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG12)) 3.900 1.900 1.900 peak 858 spectrum 1 weight 0.11000E+01 volume 0.43684E-03 ppm1 4.115 ppm2 0.734 CV 1 ASSI { 864} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 3.900 3.900 2.100 peak 864 spectrum 1 weight 0.11000E+01 volume 0.10059E-02 ppm1 4.565 ppm2 3.014 CV 1 ASSI { 873} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HB1 )) 1.900 0.400 0.400 peak 873 spectrum 1 weight 0.11000E+01 volume 0.65873E-02 ppm1 3.964 ppm2 4.048 CV 1 ASSI { 881} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 58 and name HB2 )) 2.000 0.500 0.500 peak 881 spectrum 1 weight 0.11000E+01 volume 0.10914E-01 ppm1 3.864 ppm2 3.800 CV 1 ASSI { 886} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HA )) 3.000 1.100 1.100 peak 886 spectrum 1 weight 0.11000E+01 volume 0.98936E-03 ppm1 3.544 ppm2 4.479 CV 1 ASSI { 888} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HB1 )) 2.100 0.500 0.500 peak 888 spectrum 1 weight 0.11000E+01 volume 0.36957E-02 ppm1 3.539 ppm2 3.620 CV 1 ASSI { 913} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HA )) 3.100 1.200 1.200 peak 913 spectrum 1 weight 0.11000E+01 volume 0.21701E-02 ppm1 3.605 ppm2 4.505 CV 1 ASSI { 915} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HB1 )) 2.000 0.500 0.500 peak 915 spectrum 1 weight 0.11000E+01 volume 0.78135E-02 ppm1 3.606 ppm2 3.766 CV 1 ASSI { 938} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 82 and name HA )) 3.200 1.300 1.300 peak 938 spectrum 1 weight 0.11000E+01 volume 0.13686E-02 ppm1 2.202 ppm2 5.058 CV 1 ASSI { 941} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HG1 )) 2.700 0.900 0.900 peak 941 spectrum 1 weight 0.11000E+01 volume 0.12795E-01 ppm1 2.112 ppm2 2.181 CV 1 ASSI { 944} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HA )) 3.400 1.400 1.400 peak 944 spectrum 1 weight 0.11000E+01 volume 0.77775E-03 ppm1 1.911 ppm2 5.039 CV 1 ASSI { 945} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB1 )) 4.000 4.000 2.000 peak 945 spectrum 1 weight 0.11000E+01 volume 0.63790E-03 ppm1 5.037 ppm2 2.103 CV 1 ASSI { 949} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 83 and name HB2 )) 2.000 0.500 0.500 peak 949 spectrum 1 weight 0.11000E+01 volume 0.72269E-02 ppm1 2.037 ppm2 1.917 CV 1 ASSI { 950} (( segid " " and resid 83 and name HG1 )) (( segid " " and resid 83 and name HB2 )) 2.700 0.900 0.900 peak 950 spectrum 1 weight 0.11000E+01 volume 0.50270E-02 ppm1 2.186 ppm2 1.939 CV 1 OR { 950} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HB2 )) ASSI { 951} (( segid " " and resid 83 and name HG1 )) (( segid " " and resid 83 and name HB1 )) 2.300 2.300 3.700 peak 951 spectrum 1 weight 0.11000E+01 volume 0.85964E-02 ppm1 2.185 ppm2 2.104 CV 1 OR { 951} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HB1 )) ASSI { 954} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HA )) 3.100 1.200 1.200 peak 954 spectrum 1 weight 0.11000E+01 volume 0.16101E-02 ppm1 1.962 ppm2 4.397 CV 1 ASSI { 956} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HB2 )) 2.200 0.600 0.600 peak 956 spectrum 1 weight 0.11000E+01 volume 0.53956E-02 ppm1 1.958 ppm2 1.742 CV 1 ASSI { 963} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HG2 )) 2.000 0.500 0.500 peak 963 spectrum 1 weight 0.11000E+01 volume 0.22681E-01 ppm1 1.956 ppm2 2.045 CV 1 OR { 963} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 85 and name HG1 )) ASSI { 971} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB2 )) 2.400 0.700 0.700 peak 971 spectrum 1 weight 0.11000E+01 volume 0.13118E-01 ppm1 1.973 ppm2 1.961 CV 1 ASSI { 972} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HG1 )) 1.900 0.500 0.500 peak 972 spectrum 1 weight 0.11000E+01 volume 0.98983E-02 ppm1 1.961 ppm2 2.040 CV 1 OR { 972} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB1 )) ASSI { 973} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HG2 )) 1.900 0.400 0.400 peak 973 spectrum 1 weight 0.11000E+01 volume 0.12518E-01 ppm1 2.012 ppm2 1.965 CV 1 OR { 973} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HB2 )) ASSI { 975} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB1 )) 3.300 1.400 1.400 peak 975 spectrum 1 weight 0.11000E+01 volume 0.12213E-02 ppm1 5.228 ppm2 2.030 CV 1 OR { 975} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG1 )) ASSI { 976} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) 2.800 1.000 1.000 peak 976 spectrum 1 weight 0.11000E+01 volume 0.14698E-02 ppm1 5.231 ppm2 1.962 CV 1 OR { 976} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG2 )) ASSI { 977} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HA )) 3.600 1.600 1.600 peak 977 spectrum 1 weight 0.11000E+01 volume 0.93781E-03 ppm1 2.039 ppm2 5.230 CV 1 ASSI { 981} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HB2 )) 1.700 0.400 0.500 peak 981 spectrum 1 weight 0.11000E+01 volume 0.15909E-01 ppm1 2.039 ppm2 1.949 CV 1 OR { 981} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HG2 )) ASSI { 982} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HB1 )) 1.700 0.300 0.500 peak 982 spectrum 1 weight 0.11000E+01 volume 0.18131E-01 ppm1 1.968 ppm2 2.035 CV 1 OR { 982} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HG1 )) ASSI { 988} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HA )) 3.400 1.500 1.500 peak 988 spectrum 1 weight 0.11000E+01 volume 0.24143E-02 ppm1 2.255 ppm2 4.295 CV 1 ASSI { 989} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 151 and name HA )) 3.700 1.700 1.700 peak 989 spectrum 1 weight 0.11000E+01 volume 0.10087E-02 ppm1 2.051 ppm2 4.295 CV 1 ASSI { 995} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 151 and name HB2 )) 3.000 1.100 1.100 peak 995 spectrum 1 weight 0.11000E+01 volume 0.34420E-02 ppm1 2.256 ppm2 1.944 CV 1 ASSI { 996} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 151 and name HB2 )) 2.600 0.800 0.800 peak 996 spectrum 1 weight 0.11000E+01 volume 0.57892E-02 ppm1 2.057 ppm2 1.945 CV 1 ASSI { 998} ( segid " " and resid 106 and name HE% ) (( segid " " and resid 106 and name HA )) 5.500 3.700 0.500 peak 998 spectrum 1 weight 0.11000E+01 volume 0.45026E-03 ppm1 1.969 ppm2 4.386 CV 1 ASSI { 1003} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 106 and name HG2 )) 1.900 1.900 4.100 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.18519E+00 ppm1 1.909 ppm2 1.914 CV 1 OR { 1003} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 52 and name HB2 )) ASSI { 1008} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.20499E-02 ppm1 3.200 ppm2 4.272 CV 1 OR { 1008} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HA )) ASSI { 1027} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 139 and name HB1 )) 2.200 0.600 0.600 peak 1027 spectrum 1 weight 0.11000E+01 volume 0.59304E-02 ppm1 2.684 ppm2 2.891 CV 1 ASSI { 1039} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HA )) 3.900 1.900 1.900 peak 1039 spectrum 1 weight 0.11000E+01 volume 0.59536E-03 ppm1 3.320 ppm2 4.574 CV 1 ASSI { 1049} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HA )) 3.900 1.900 1.900 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.26903E-03 ppm1 2.591 ppm2 4.778 CV 1 OR { 1049} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HA )) ASSI { 1053} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB1 )) 4.000 2.000 2.000 peak 1053 spectrum 1 weight 0.11000E+01 volume 0.15899E-03 ppm1 4.763 ppm2 2.620 CV 1 ASSI { 1063} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB1 )) 5.400 3.700 0.600 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.12763E-03 ppm1 4.673 ppm2 2.810 CV 1 ASSI { 1071} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HB1 )) 2.100 0.500 0.500 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.34862E-02 ppm1 2.405 ppm2 2.579 CV 1 ASSI { 1078} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB2 )) 5.300 3.600 0.700 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.10414E-03 ppm1 4.744 ppm2 2.289 CV 1 ASSI { 1080} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HA )) 3.600 1.700 1.700 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.44206E-03 ppm1 2.484 ppm2 4.475 CV 1 ASSI { 1088} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HB2 )) 2.400 0.700 0.700 peak 1088 spectrum 1 weight 0.11000E+01 volume 0.40055E-02 ppm1 2.713 ppm2 2.506 CV 1 ASSI { 1095} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HA )) 3.400 1.400 1.400 peak 1095 spectrum 1 weight 0.11000E+01 volume 0.44981E-03 ppm1 2.217 ppm2 4.480 CV 1 ASSI { 1096} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HA )) 4.100 2.100 1.900 peak 1096 spectrum 1 weight 0.11000E+01 volume 0.53303E-03 ppm1 1.628 ppm2 4.480 CV 1 ASSI { 1098} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HA )) 4.400 2.400 1.600 peak 1098 spectrum 1 weight 0.11000E+01 volume 0.50431E-03 ppm1 2.144 ppm2 4.472 CV 1 ASSI { 1101} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HG2 )) 2.300 0.700 0.700 peak 1101 spectrum 1 weight 0.11000E+01 volume 0.21171E-02 ppm1 2.474 ppm2 2.172 CV 1 OR { 1101} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HB1 )) ASSI { 1102} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HB1 )) 2.000 2.000 4.000 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.46711E-01 ppm1 2.144 ppm2 2.172 CV 1 ASSI { 1103} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HB2 )) 2.600 0.800 0.800 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.11016E-02 ppm1 2.218 ppm2 1.626 CV 1 ASSI { 1104} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HB1 )) 2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.11000E+01 volume 0.11231E-02 ppm1 1.629 ppm2 2.195 CV 1 OR { 1104} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG2 )) ASSI { 1108} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB1 )) 3.700 1.700 1.700 peak 1108 spectrum 1 weight 0.11000E+01 volume 0.33082E-03 ppm1 4.449 ppm2 2.191 CV 1 OR { 1108} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG2 )) ASSI { 1111} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG1 )) 3.300 1.400 1.400 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.70610E-03 ppm1 1.640 ppm2 2.454 CV 1 ASSI { 1117} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HG2 )) 1.900 0.400 0.400 peak 1117 spectrum 1 weight 0.11000E+01 volume 0.76232E-02 ppm1 2.335 ppm2 2.199 CV 1 ASSI { 1120} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG1 )) 2.600 2.600 3.400 peak 1120 spectrum 1 weight 0.11000E+01 volume 0.39749E-02 ppm1 2.087 ppm2 2.335 CV 1 ASSI { 1121} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 2.000 2.000 4.000 peak 1121 spectrum 1 weight 0.11000E+01 volume 0.99142E-02 ppm1 2.087 ppm2 2.177 CV 1 ASSI { 1122} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG1 )) 2.700 0.900 0.900 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.46906E-02 ppm1 2.037 ppm2 2.334 CV 1 ASSI { 1123} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG2 )) 2.500 0.800 0.800 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.53999E-02 ppm1 2.037 ppm2 2.194 CV 1 ASSI { 1125} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 81 and name HG1 )) 2.000 0.500 0.500 peak 1125 spectrum 1 weight 0.11000E+01 volume 0.36513E-02 ppm1 2.180 ppm2 2.385 CV 1 ASSI { 1129} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 2.900 1.000 1.000 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.18540E-02 ppm1 4.026 ppm2 2.270 CV 1 OR { 1129} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB1 )) ASSI { 1136} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 97 and name HG2 )) 2.300 0.600 0.600 peak 1136 spectrum 1 weight 0.11000E+01 volume 0.35076E-02 ppm1 2.648 ppm2 2.489 CV 1 ASSI { 1138} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HB1 )) 2.600 0.900 0.900 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.36421E-02 ppm1 2.462 ppm2 2.264 CV 1 OR { 1138} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HB2 )) ASSI { 1148} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HB2 )) 2.000 0.500 0.500 peak 1148 spectrum 1 weight 0.11000E+01 volume 0.95243E-02 ppm1 2.262 ppm2 2.131 CV 1 ASSI { 1154} (( segid " " and resid 125 and name HG1 )) (( segid " " and resid 125 and name HG2 )) 2.200 0.600 0.600 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.44871E-02 ppm1 2.555 ppm2 2.426 CV 1 ASSI { 1161} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HG1 )) 3.700 1.800 1.800 peak 1161 spectrum 1 weight 0.11000E+01 volume 0.12658E-02 ppm1 2.262 ppm2 2.540 CV 1 ASSI { 1170} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) 4.000 2.000 2.000 peak 1170 spectrum 1 weight 0.11000E+01 volume 0.84161E-03 ppm1 2.050 ppm2 4.294 CV 1 ASSI { 1172} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HG2 )) 1.700 1.700 4.300 peak 1172 spectrum 1 weight 0.11000E+01 volume 0.37669E-01 ppm1 2.253 ppm2 2.215 CV 1 ASSI { 1173} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB1 )) 1.600 1.600 4.400 peak 1173 spectrum 1 weight 0.11000E+01 volume 0.10212E+00 ppm1 2.050 ppm2 2.057 CV 1 ASSI { 1174} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HG1 )) 2.300 0.600 0.600 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.54945E-02 ppm1 2.051 ppm2 2.217 CV 1 ASSI { 1175} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG1 )) 3.900 3.900 2.100 peak 1175 spectrum 1 weight 0.11000E+01 volume 0.82384E-03 ppm1 4.293 ppm2 2.208 CV 1 ASSI { 1177} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB2 )) 2.800 1.000 1.000 peak 1177 spectrum 1 weight 0.11000E+01 volume 0.62829E-02 ppm1 2.051 ppm2 1.942 CV 1 ASSI { 1179} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 4.100 2.100 1.900 peak 1179 spectrum 1 weight 0.11000E+01 volume 0.40631E-03 ppm1 4.562 ppm2 1.912 CV 1 OR { 1179} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) ASSI { 1180} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG2 )) 5.000 3.200 1.000 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.20448E-03 ppm1 4.546 ppm2 2.315 CV 1 OR { 1180} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG1 )) ASSI { 1182} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 3.300 1.300 1.300 peak 1182 spectrum 1 weight 0.11000E+01 volume 0.22513E-02 ppm1 4.274 ppm2 1.947 CV 1 ASSI { 1183} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB1 )) 3.200 1.300 1.300 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.21385E-02 ppm1 4.283 ppm2 2.067 CV 1 ASSI { 1184} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 2.900 1.000 1.000 peak 1184 spectrum 1 weight 0.11000E+01 volume 0.18714E-02 ppm1 3.723 ppm2 5.546 CV 1 OR { 1184} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) ASSI { 1205} (( segid " " and resid 71 and name HA )) (( segid " " and resid 82 and name HA )) 2.100 0.600 0.600 peak 1205 spectrum 1 weight 0.11000E+01 volume 0.99658E-02 ppm1 5.057 ppm2 5.060 CV 1 OR { 1205} (( segid " " and resid 82 and name HA )) (( segid " " and resid 71 and name HA )) ASSI { 1206} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 82 and name HG2 )) 1.800 0.400 0.400 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.21970E-01 ppm1 2.212 ppm2 2.050 CV 1 OR { 1206} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 82 and name HB2 )) ASSI { 1209} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 82 and name HB1 )) 2.500 2.500 3.500 peak 1209 spectrum 1 weight 0.11000E+01 volume 0.32218E-01 ppm1 2.094 ppm2 2.089 CV 1 OR { 1209} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 71 and name HB1 )) ASSI { 1219} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 1.900 0.400 0.400 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.12005E-01 ppm1 3.722 ppm2 3.725 CV 1 OR { 1219} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB1 )) ASSI { 1220} (( segid " " and resid 13 and name HA2 )) (( segid " " and resid 13 and name HA1 )) 1.300 0.200 0.900 peak 1220 spectrum 1 weight 0.11000E+01 volume 0.14556E+00 ppm1 3.942 ppm2 3.943 CV 1 OR { 1220} (( segid " " and resid 13 and name HA1 )) (( segid " " and resid 13 and name HA2 )) ASSI { 1221} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 1.200 0.200 1.000 peak 1221 spectrum 1 weight 0.11000E+01 volume 0.15552E+00 ppm1 2.047 ppm2 2.044 CV 1 OR { 1221} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HB2 )) ASSI { 1222} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HG1 )) 1.100 0.200 1.100 peak 1222 spectrum 1 weight 0.11000E+01 volume 0.30540E+00 ppm1 2.237 ppm2 2.257 CV 1 OR { 1222} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HG2 )) ASSI { 1224} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG2 )) 2.300 0.600 0.600 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.37701E-01 ppm1 2.041 ppm2 2.037 CV 1 ASSI { 1225} (( segid " " and resid 83 and name HG1 )) (( segid " " and resid 83 and name HG2 )) 1.300 0.200 0.900 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.81687E-01 ppm1 2.184 ppm2 2.188 CV 1 OR { 1225} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HG1 )) ASSI { 1226} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HG1 )) 1.200 0.200 1.000 peak 1226 spectrum 1 weight 0.11000E+01 volume 0.10505E+00 ppm1 2.049 ppm2 2.050 CV 1 OR { 1226} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HG2 )) ASSI { 1228} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HB1 )) 2.100 0.500 0.500 peak 1228 spectrum 1 weight 0.11000E+01 volume 0.90113E-02 ppm1 3.196 ppm2 3.199 CV 1 OR { 1228} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HB2 )) ASSI { 1229} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HB1 )) 2.500 2.500 3.500 peak 1229 spectrum 1 weight 0.11000E+01 volume 0.18649E-02 ppm1 2.570 ppm2 2.567 CV 1 OR { 1229} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HB2 )) ASSI { 1230} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HB1 )) 1.600 0.300 0.600 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.24603E-01 ppm1 2.764 ppm2 2.766 CV 1 OR { 1230} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HB2 )) ASSI { 1231} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HB1 )) 1.600 0.300 0.600 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.23542E-01 ppm1 2.266 ppm2 2.266 CV 1 OR { 1231} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 97 and name HB2 )) ASSI { 1233} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 26 and name HG1 )) 1.100 0.200 1.100 peak 1233 spectrum 1 weight 0.11000E+01 volume 0.38456E+00 ppm1 2.282 ppm2 2.282 CV 1 OR { 1233} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 26 and name HG2 )) ASSI { 1235} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG1 )) 4.100 4.100 1.900 peak 1235 spectrum 1 weight 0.11000E+01 volume 0.88237E-03 ppm1 4.292 ppm2 2.209 CV 1 OR { 1235} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG2 )) ASSI { 1237} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HD1 )) 2.300 0.600 0.600 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.11564E-02 ppm1 3.131 ppm2 3.653 CV 1 ASSI { 1242} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HD2 )) 3.800 1.800 1.800 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.53890E-03 ppm1 2.119 ppm2 3.130 CV 1 ASSI { 1244} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HD2 )) 3.300 1.400 1.400 peak 1244 spectrum 1 weight 0.11000E+01 volume 0.37482E-03 ppm1 1.801 ppm2 3.127 CV 1 ASSI { 1245} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HD1 )) 3.900 1.900 1.900 peak 1245 spectrum 1 weight 0.11000E+01 volume 0.41616E-03 ppm1 1.783 ppm2 3.632 CV 1 ASSI { 1246} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HD1 )) 2.900 1.000 1.000 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.67263E-03 ppm1 2.114 ppm2 3.652 CV 1 ASSI { 1254} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HD1 )) 5.400 3.700 0.600 peak 1254 spectrum 1 weight 0.11000E+01 volume 0.53760E-04 ppm1 4.342 ppm2 3.659 CV 1 ASSI { 1255} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HG2 )) 2.300 0.700 0.700 peak 1255 spectrum 1 weight 0.11000E+01 volume 0.16765E-02 ppm1 2.118 ppm2 1.797 CV 1 ASSI { 1257} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HB2 )) 2.500 0.800 0.800 peak 1257 spectrum 1 weight 0.11000E+01 volume 0.20182E-02 ppm1 2.431 ppm2 1.650 CV 1 ASSI { 1265} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HD1 )) 5.200 3.400 0.800 peak 1265 spectrum 1 weight 0.11000E+01 volume 0.21388E-03 ppm1 1.636 ppm2 3.639 CV 1 ASSI { 1266} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HD2 )) 5.500 3.700 0.500 peak 1266 spectrum 1 weight 0.11000E+01 volume 0.14186E-03 ppm1 1.645 ppm2 3.125 CV 1 ASSI { 1268} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HG2 )) 3.900 1.900 1.900 peak 1268 spectrum 1 weight 0.11000E+01 volume 0.85852E-03 ppm1 2.428 ppm2 1.809 CV 1 ASSI { 1271} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HB2 )) 2.600 0.800 0.800 peak 1271 spectrum 1 weight 0.11000E+01 volume 0.26699E-02 ppm1 1.784 ppm2 1.647 CV 1 ASSI { 1273} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HB1 )) 3.100 1.200 1.200 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.78047E-03 ppm1 2.117 ppm2 2.447 CV 1 ASSI { 1274} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HA )) 5.300 3.600 0.700 peak 1274 spectrum 1 weight 0.11000E+01 volume 0.20761E-03 ppm1 2.116 ppm2 4.311 CV 1 ASSI { 1276} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HA )) 5.800 4.200 0.200 peak 1276 spectrum 1 weight 0.11000E+01 volume 0.87457E-04 ppm1 3.129 ppm2 4.341 CV 1 ASSI { 1277} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 104 and name HB1 )) 5.400 3.600 0.600 peak 1277 spectrum 1 weight 0.11000E+01 volume 0.78530E-04 ppm1 3.635 ppm2 2.417 CV 1 ASSI { 1278} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 104 and name HB1 )) 6.000 4.500 0.000 peak 1278 spectrum 1 weight 0.11000E+01 volume 0.11709E-03 ppm1 3.111 ppm2 2.436 CV 1 ASSI { 1281} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HA )) 3.700 1.700 1.700 peak 1281 spectrum 1 weight 0.11000E+01 volume 0.29070E-02 ppm1 2.029 ppm2 4.421 CV 1 OR { 1281} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HA )) ASSI { 1283} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HG2 )) 2.300 0.700 0.700 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.62452E-02 ppm1 3.660 ppm2 2.031 CV 1 ASSI { 1284} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HD1 )) 2.300 0.600 0.600 peak 1284 spectrum 1 weight 0.11000E+01 volume 0.11892E-01 ppm1 2.031 ppm2 3.813 CV 1 OR { 1284} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HD1 )) ASSI { 1285} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HD2 )) 2.500 0.800 0.800 peak 1285 spectrum 1 weight 0.11000E+01 volume 0.59795E-02 ppm1 2.034 ppm2 3.651 CV 1 OR { 1285} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HD2 )) ASSI { 1293} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HG2 )) 1.000 0.100 1.200 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.52309E+00 ppm1 2.038 ppm2 2.034 CV 1 OR { 1293} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HG1 )) ASSI { 1296} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HD1 )) 4.200 2.200 1.800 peak 1296 spectrum 1 weight 0.11000E+01 volume 0.18564E-02 ppm1 1.914 ppm2 3.813 CV 1 ASSI { 1297} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HD1 )) 3.200 1.300 1.300 peak 1297 spectrum 1 weight 0.11000E+01 volume 0.20382E-02 ppm1 2.295 ppm2 3.813 CV 1 ASSI { 1299} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 1299 spectrum 1 weight 0.11000E+01 volume 0.24056E-02 ppm1 4.417 ppm2 1.911 CV 1 ASSI { 1300} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.500 0.800 0.800 peak 1300 spectrum 1 weight 0.11000E+01 volume 0.42809E-02 ppm1 4.413 ppm2 2.297 CV 1 ASSI { 1302} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG1 )) 2.300 0.600 0.600 peak 1302 spectrum 1 weight 0.11000E+01 volume 0.13184E-01 ppm1 2.291 ppm2 2.038 CV 1 OR { 1302} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG2 )) ASSI { 1303} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG2 )) 2.200 0.600 0.600 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.15174E-01 ppm1 1.911 ppm2 2.020 CV 1 OR { 1303} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG1 )) ASSI { 1307} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HB2 )) 3.900 1.900 1.900 peak 1307 spectrum 1 weight 0.11000E+01 volume 0.25262E-02 ppm1 3.663 ppm2 1.916 CV 1 ASSI { 1309} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HB1 )) 4.600 2.600 1.400 peak 1309 spectrum 1 weight 0.11000E+01 volume 0.80984E-03 ppm1 3.665 ppm2 2.302 CV 1 ASSI { 1310} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HA )) 4.400 2.500 1.600 peak 1310 spectrum 1 weight 0.11000E+01 volume 0.49863E-03 ppm1 3.652 ppm2 4.425 CV 1 ASSI { 1311} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 84 and name HA )) 5.000 3.100 1.000 peak 1311 spectrum 1 weight 0.11000E+01 volume 0.19791E-03 ppm1 3.816 ppm2 4.426 CV 1 ASSI { 1313} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HA )) 3.700 1.700 1.700 peak 1313 spectrum 1 weight 0.11000E+01 volume 0.17158E-02 ppm1 1.889 ppm2 3.981 CV 1 OR { 1313} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HD1 )) ASSI { 1314} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HD1 )) 2.500 2.500 3.500 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.14170E-01 ppm1 3.976 ppm2 3.974 CV 1 ASSI { 1316} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) 4.100 2.100 1.900 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.11022E-02 ppm1 3.987 ppm2 1.886 CV 1 OR { 1316} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG2 )) ASSI { 1319} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HB1 )) 2.200 0.600 0.600 peak 1319 spectrum 1 weight 0.11000E+01 volume 0.52265E-02 ppm1 1.908 ppm2 2.108 CV 1 ASSI { 1320} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HB2 )) 2.200 0.600 0.600 peak 1320 spectrum 1 weight 0.11000E+01 volume 0.69666E-02 ppm1 2.113 ppm2 1.890 CV 1 OR { 1320} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HG2 )) ASSI { 1322} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HD2 )) 4.000 2.000 2.000 peak 1322 spectrum 1 weight 0.11000E+01 volume 0.60852E-03 ppm1 1.917 ppm2 3.582 CV 1 ASSI { 1323} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HD1 )) 3.100 1.200 1.200 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.12477E-02 ppm1 2.079 ppm2 3.957 CV 1 OR { 1323} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HA )) ASSI { 1325} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HD2 )) 3.100 1.200 1.200 peak 1325 spectrum 1 weight 0.11000E+01 volume 0.10318E-02 ppm1 1.866 ppm2 3.581 CV 1 ASSI { 1326} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HD1 )) 2.200 0.600 0.600 peak 1326 spectrum 1 weight 0.11000E+01 volume 0.34548E-02 ppm1 3.571 ppm2 3.937 CV 1 ASSI { 1330} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HD2 )) 3.700 1.700 1.700 peak 1330 spectrum 1 weight 0.11000E+01 volume 0.16476E-02 ppm1 2.078 ppm2 3.585 CV 1 ASSI { 1331} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HG1 )) 2.000 2.000 4.000 peak 1331 spectrum 1 weight 0.11000E+01 volume 0.84137E-02 ppm1 1.861 ppm2 2.019 CV 1 ASSI { 1332} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HB2 )) 2.100 0.500 0.500 peak 1332 spectrum 1 weight 0.11000E+01 volume 0.15865E-01 ppm1 1.861 ppm2 1.870 CV 1 ASSI { 1333} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HB1 )) 3.500 1.500 1.500 peak 1333 spectrum 1 weight 0.11000E+01 volume 0.18028E-02 ppm1 1.861 ppm2 2.118 CV 1 ASSI { 1334} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HB1 )) 1.300 1.300 4.700 peak 1334 spectrum 1 weight 0.11000E+01 volume 0.20008E+00 ppm1 2.087 ppm2 2.052 CV 1 ASSI { 1335} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HG2 )) 2.300 2.300 3.700 peak 1335 spectrum 1 weight 0.11000E+01 volume 0.50919E-02 ppm1 2.087 ppm2 1.921 CV 1 OR { 1335} (( segid " " and resid 124 and name HG1 )) (( segid " " and resid 124 and name HB2 )) ASSI { 1336} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HG2 )) 4.200 2.200 1.800 peak 1336 spectrum 1 weight 0.11000E+01 volume 0.57731E-03 ppm1 3.931 ppm2 1.874 CV 1 OR { 1336} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HB2 )) ASSI { 1337} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HG1 )) 3.200 3.200 2.800 peak 1337 spectrum 1 weight 0.11000E+01 volume 0.80776E-03 ppm1 3.928 ppm2 2.015 CV 1 ASSI { 1338} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HB1 )) 4.400 2.500 1.600 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.81596E-03 ppm1 3.926 ppm2 2.090 CV 1 ASSI { 1339} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HB1 )) 4.300 2.300 1.700 peak 1339 spectrum 1 weight 0.11000E+01 volume 0.12005E-02 ppm1 3.569 ppm2 2.095 CV 1 ASSI { 1341} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HG2 )) 3.300 1.400 1.400 peak 1341 spectrum 1 weight 0.11000E+01 volume 0.90179E-03 ppm1 3.582 ppm2 1.874 CV 1 OR { 1341} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HB2 )) ASSI { 1342} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HG1 )) 4.500 4.500 1.500 peak 1342 spectrum 1 weight 0.11000E+01 volume 0.47465E-03 ppm1 3.992 ppm2 2.018 CV 1 ASSI { 1343} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HD2 )) 5.600 3.900 0.400 peak 1343 spectrum 1 weight 0.11000E+01 volume 0.14291E-03 ppm1 3.983 ppm2 3.587 CV 1 ASSI { 1345} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HG1 )) 2.900 2.900 3.100 peak 1345 spectrum 1 weight 0.11000E+01 volume 0.71174E-02 ppm1 1.909 ppm2 2.021 CV 1 ASSI { 1346} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.25490E-02 ppm1 4.417 ppm2 1.911 CV 1 ASSI { 1347} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.400 0.700 0.700 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.48358E-02 ppm1 4.414 ppm2 2.291 CV 1 ASSI { 1348} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HA )) 4.200 2.200 1.800 peak 1348 spectrum 1 weight 0.11000E+01 volume 0.12722E-02 ppm1 2.033 ppm2 4.421 CV 1 ASSI { 1349} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HB1 )) 2.300 0.700 0.700 peak 1349 spectrum 1 weight 0.11000E+01 volume 0.57737E-02 ppm1 2.063 ppm2 2.307 CV 1 ASSI { 1355} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HD2 )) 5.100 3.300 0.900 peak 1355 spectrum 1 weight 0.11000E+01 volume 0.30233E-03 ppm1 2.359 ppm2 3.395 CV 1 ASSI { 1356} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HD1 )) 5.700 4.000 0.300 peak 1356 spectrum 1 weight 0.11000E+01 volume 0.24895E-03 ppm1 1.757 ppm2 3.504 CV 1 ASSI { 1357} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HD2 )) 4.800 2.900 1.200 peak 1357 spectrum 1 weight 0.11000E+01 volume 0.22418E-03 ppm1 1.751 ppm2 3.398 CV 1 ASSI { 1358} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HB1 )) 2.400 0.700 0.700 peak 1358 spectrum 1 weight 0.11000E+01 volume 0.28197E-02 ppm1 1.756 ppm2 2.362 CV 1 ASSI { 1359} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HB2 )) 2.400 0.700 0.700 peak 1359 spectrum 1 weight 0.11000E+01 volume 0.27641E-02 ppm1 2.358 ppm2 1.761 CV 1 OR { 1359} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HG1 )) ASSI { 1362} (( segid " " and resid 130 and name HD1 )) (( segid " " and resid 130 and name HD2 )) 2.100 0.500 0.500 peak 1362 spectrum 1 weight 0.11000E+01 volume 0.35725E-02 ppm1 3.497 ppm2 3.391 CV 1 ASSI { 1366} (( segid " " and resid 130 and name HD1 )) (( segid " " and resid 130 and name HB1 )) 4.800 2.800 1.200 peak 1366 spectrum 1 weight 0.11000E+01 volume 0.40995E-03 ppm1 3.501 ppm2 2.364 CV 1 ASSI { 1368} (( segid " " and resid 130 and name HD1 )) (( segid " " and resid 130 and name HG1 )) 3.000 1.200 1.200 peak 1368 spectrum 1 weight 0.11000E+01 volume 0.11689E-02 ppm1 3.497 ppm2 1.784 CV 1 OR { 1368} (( segid " " and resid 130 and name HD1 )) (( segid " " and resid 130 and name HB2 )) ASSI { 1369} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 130 and name HG1 )) 3.700 1.700 1.700 peak 1369 spectrum 1 weight 0.11000E+01 volume 0.11958E-02 ppm1 3.390 ppm2 1.783 CV 1 OR { 1369} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 130 and name HB2 )) ASSI { 1370} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB2 )) 5.500 3.800 0.500 peak 1370 spectrum 1 weight 0.11000E+01 volume 0.10326E-03 ppm1 4.741 ppm2 1.776 CV 1 OR { 1370} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HG1 )) ASSI { 1371} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) 3.900 2.000 2.000 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.36987E-03 ppm1 4.723 ppm2 2.366 CV 1 ASSI { 1372} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HD1 )) 3.500 1.500 1.500 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.10765E-02 ppm1 1.461 ppm2 3.501 CV 1 ASSI { 1373} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HD2 )) 3.600 1.700 1.700 peak 1373 spectrum 1 weight 0.11000E+01 volume 0.12376E-02 ppm1 1.786 ppm2 3.392 CV 1 ASSI { 1374} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HD1 )) 2.900 1.000 1.000 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.13032E-02 ppm1 1.790 ppm2 3.502 CV 1 ASSI { 1376} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HB2 )) 2.900 1.000 1.000 peak 1376 spectrum 1 weight 0.11000E+01 volume 0.63919E-02 ppm1 1.784 ppm2 1.787 CV 1 ASSI { 1377} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HG2 )) 2.200 0.600 0.600 peak 1377 spectrum 1 weight 0.11000E+01 volume 0.32274E-02 ppm1 1.784 ppm2 1.468 CV 1 ASSI { 1379} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HG1 )) 2.200 0.600 0.600 peak 1379 spectrum 1 weight 0.11000E+01 volume 0.42261E-02 ppm1 1.449 ppm2 1.783 CV 1 OR { 1379} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HB2 )) ASSI { 1382} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HG2 )) 4.500 2.500 1.500 peak 1382 spectrum 1 weight 0.11000E+01 volume 0.43395E-03 ppm1 2.352 ppm2 1.465 CV 1 ASSI { 1383} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HG2 )) 3.400 1.400 1.400 peak 1383 spectrum 1 weight 0.11000E+01 volume 0.61527E-03 ppm1 1.746 ppm2 1.476 CV 1 ASSI { 1384} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 130 and name HB1 )) 3.200 1.300 1.300 peak 1384 spectrum 1 weight 0.11000E+01 volume 0.88504E-03 ppm1 1.787 ppm2 2.362 CV 1 ASSI { 1387} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 130 and name HG2 )) 3.000 1.100 1.100 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.83480E-03 ppm1 3.395 ppm2 1.463 CV 1 ASSI { 1388} (( segid " " and resid 130 and name HD1 )) (( segid " " and resid 130 and name HA )) 4.100 2.100 1.900 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.83126E-03 ppm1 3.521 ppm2 4.726 CV 1 ASSI { 1389} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 130 and name HA )) 4.800 2.800 1.200 peak 1389 spectrum 1 weight 0.11000E+01 volume 0.17284E-03 ppm1 3.396 ppm2 4.729 CV 1 ASSI { 1390} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HA )) 4.400 4.400 1.600 peak 1390 spectrum 1 weight 0.11000E+01 volume 0.17965E-03 ppm1 2.019 ppm2 4.898 CV 1 OR { 1390} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) ASSI { 1391} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HB1 )) 1.400 0.200 0.800 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.45979E-01 ppm1 1.989 ppm2 1.995 CV 1 OR { 1391} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HB2 )) ASSI { 1392} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HD% ) 4.400 2.400 1.600 peak 1392 spectrum 1 weight 0.11000E+01 volume 0.23056E-03 ppm1 4.704 ppm2 6.943 CV 1 ASSI { 1398} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HB1 )) 1.800 0.400 0.400 peak 1398 spectrum 1 weight 0.11000E+01 volume 0.97558E-02 ppm1 2.863 ppm2 3.028 CV 1 ASSI { 1411} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 5.000 3.100 1.000 peak 1411 spectrum 1 weight 0.11000E+01 volume 0.15380E-03 ppm1 4.719 ppm2 2.555 CV 1 ASSI { 1412} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB1 )) 4.500 2.500 1.500 peak 1412 spectrum 1 weight 0.11000E+01 volume 0.12743E-03 ppm1 4.720 ppm2 3.269 CV 1 ASSI { 1414} (( segid " " and resid 120 and name HA )) ( segid " " and resid 120 and name HE% ) 6.000 5.100 0.000 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.84418E-04 ppm1 4.732 ppm2 6.702 CV 1 ASSI { 1419} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HA )) 3.500 1.500 1.500 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.48801E-03 ppm1 3.079 ppm2 4.530 CV 1 ASSI { 1420} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HA )) 4.500 2.500 1.500 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.35833E-03 ppm1 2.720 ppm2 4.529 CV 1 ASSI { 1445} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HB1 )) 2.300 0.600 0.600 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.18248E-02 ppm1 3.092 ppm2 3.191 CV 1 ASSI { 1449} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HE1 )) 6.000 5.200 0.000 peak 1449 spectrum 1 weight 0.11000E+01 volume 0.98505E-04 ppm1 3.071 ppm2 7.782 CV 1 ASSI { 1451} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HA )) 3.100 1.200 1.200 peak 1451 spectrum 1 weight 0.11000E+01 volume 0.15582E-02 ppm1 3.143 ppm2 4.974 CV 1 OR { 1451} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HA )) ASSI { 1452} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HB1 )) 2.000 0.500 0.500 peak 1452 spectrum 1 weight 0.11000E+01 volume 0.48164E-02 ppm1 3.154 ppm2 3.162 CV 1 OR { 1452} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 88 and name HB2 )) ASSI { 1453} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB2 )) 3.200 1.300 1.300 peak 1453 spectrum 1 weight 0.11000E+01 volume 0.10640E-02 ppm1 4.967 ppm2 3.134 CV 1 ASSI { 1462} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HA )) 3.400 1.500 1.500 peak 1462 spectrum 1 weight 0.11000E+01 volume 0.16637E-02 ppm1 3.182 ppm2 4.611 CV 1 ASSI { 1466} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HB1 )) 2.200 0.600 0.600 peak 1466 spectrum 1 weight 0.11000E+01 volume 0.64004E-02 ppm1 3.066 ppm2 3.175 CV 1 ASSI { 1470} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 19 and name HE% ) 6.000 6.000 0.000 peak 1470 spectrum 1 weight 0.11000E+01 volume 0.57484E-04 ppm1 3.058 ppm2 7.370 CV 1 ASSI { 1471} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HZ )) 6.000 6.000 0.000 peak 1471 spectrum 1 weight 0.11000E+01 volume 0.73006E-04 ppm1 3.047 ppm2 7.570 CV 1 ASSI { 1472} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HA )) 2.600 2.600 3.400 peak 1472 spectrum 1 weight 0.11000E+01 volume 0.10217E-01 ppm1 5.938 ppm2 5.942 CV 1 ASSI { 1474} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HB1 )) 2.000 0.500 0.500 peak 1474 spectrum 1 weight 0.11000E+01 volume 0.50405E-02 ppm1 1.787 ppm2 1.784 CV 1 OR { 1474} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HB2 )) OR { 1474} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HD1 )) ASSI { 1475} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.11000E+01 volume 0.19645E-02 ppm1 5.940 ppm2 1.793 CV 1 OR { 1475} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) ASSI { 1477} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HG1 )) 1.400 0.200 0.800 peak 1477 spectrum 1 weight 0.11000E+01 volume 0.31673E-01 ppm1 1.384 ppm2 1.383 CV 1 OR { 1477} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1478} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HB2 )) 2.500 2.500 3.500 peak 1478 spectrum 1 weight 0.11000E+01 volume 0.38629E-02 ppm1 1.420 ppm2 1.780 CV 1 OR { 1478} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HD1 )) OR { 1478} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB1 )) OR { 1478} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB2 )) OR { 1478} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HD1 )) ASSI { 1480} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG2 )) 2.900 1.100 1.100 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.14305E-02 ppm1 1.802 ppm2 1.387 CV 1 OR { 1480} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG1 )) OR { 1480} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG1 )) OR { 1480} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 1486} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HD2 )) 4.900 2.900 1.100 peak 1486 spectrum 1 weight 0.11000E+01 volume 0.36835E-03 ppm1 1.801 ppm2 1.492 CV 1 OR { 1486} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HD2 )) ASSI { 1489} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 47 and name HB1 )) 3.000 3.000 3.000 peak 1489 spectrum 1 weight 0.11000E+01 volume 0.11756E-02 ppm1 2.782 ppm2 1.797 CV 1 OR { 1489} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 47 and name HB1 )) ASSI { 1491} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HE1 )) 5.800 4.100 0.200 peak 1491 spectrum 1 weight 0.11000E+01 volume 0.17931E-03 ppm1 5.921 ppm2 2.592 CV 1 OR { 1491} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HE2 )) ASSI { 1493} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 47 and name HE2 )) 1.500 0.300 0.700 peak 1493 spectrum 1 weight 0.11000E+01 volume 0.33017E-01 ppm1 2.579 ppm2 2.583 CV 1 OR { 1493} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 47 and name HE1 )) ASSI { 1494} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HE1 )) 3.800 1.800 1.800 peak 1494 spectrum 1 weight 0.11000E+01 volume 0.42709E-03 ppm1 1.784 ppm2 2.584 CV 1 OR { 1494} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HE2 )) OR { 1494} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HE2 )) ASSI { 1497} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 47 and name HB2 )) 4.400 2.400 1.600 peak 1497 spectrum 1 weight 0.11000E+01 volume 0.93819E-03 ppm1 2.580 ppm2 1.750 CV 1 OR { 1497} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 47 and name HB2 )) ASSI { 1498} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 47 and name HD1 )) 3.100 1.200 1.200 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.10346E-02 ppm1 2.573 ppm2 1.785 CV 1 OR { 1498} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 47 and name HD1 )) OR { 1498} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 47 and name HB1 )) ASSI { 1501} (( segid " " and resid 47 and name HD1 )) (( segid " " and resid 47 and name HG2 )) 3.100 3.100 2.900 peak 1501 spectrum 1 weight 0.11000E+01 volume 0.12822E-02 ppm1 1.845 ppm2 1.420 CV 1 OR { 1501} (( segid " " and resid 47 and name HD1 )) (( segid " " and resid 47 and name HG1 )) ASSI { 1502} (( segid " " and resid 47 and name HD1 )) (( segid " " and resid 47 and name HD2 )) 2.800 2.800 3.200 peak 1502 spectrum 1 weight 0.11000E+01 volume 0.58636E-03 ppm1 1.825 ppm2 1.515 CV 1 ASSI { 1503} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HG2 )) 1.900 0.500 0.500 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.15140E-01 ppm1 1.464 ppm2 1.382 CV 1 OR { 1503} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HG1 )) ASSI { 1508} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 3.600 1.700 1.700 peak 1508 spectrum 1 weight 0.11000E+01 volume 0.11830E-02 ppm1 3.612 ppm2 1.706 CV 1 OR { 1508} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HD1 )) OR { 1508} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HD2 )) ASSI { 1510} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HB2 )) 2.000 0.500 0.500 peak 1510 spectrum 1 weight 0.11000E+01 volume 0.77669E-02 ppm1 1.834 ppm2 1.704 CV 1 OR { 1510} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HD1 )) ASSI { 1511} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HB1 )) 2.000 0.500 0.500 peak 1511 spectrum 1 weight 0.11000E+01 volume 0.53327E-02 ppm1 1.706 ppm2 1.836 CV 1 ASSI { 1512} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HD1 )) 2.100 0.500 0.500 peak 1512 spectrum 1 weight 0.11000E+01 volume 0.15564E-01 ppm1 1.698 ppm2 1.702 CV 1 OR { 1512} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HD2 )) ASSI { 1514} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HA )) 3.700 1.800 1.800 peak 1514 spectrum 1 weight 0.11000E+01 volume 0.57619E-03 ppm1 1.332 ppm2 3.607 CV 1 ASSI { 1515} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HA )) 3.200 1.300 1.300 peak 1515 spectrum 1 weight 0.11000E+01 volume 0.76003E-03 ppm1 1.526 ppm2 3.607 CV 1 ASSI { 1516} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 62 and name HA )) 4.700 4.700 1.300 peak 1516 spectrum 1 weight 0.11000E+01 volume 0.75421E-03 ppm1 1.957 ppm2 3.607 CV 1 ASSI { 1517} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HA )) 5.300 3.500 0.700 peak 1517 spectrum 1 weight 0.11000E+01 volume 0.41800E-03 ppm1 1.432 ppm2 3.607 CV 1 ASSI { 1519} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HG1 )) 2.000 0.500 0.500 peak 1519 spectrum 1 weight 0.11000E+01 volume 0.46237E-02 ppm1 1.344 ppm2 1.521 CV 1 ASSI { 1522} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HG1 )) 3.100 1.200 1.200 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.14791E-02 ppm1 3.041 ppm2 1.523 CV 1 OR { 1522} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 62 and name HG1 )) ASSI { 1523} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HE1 )) 1.200 0.200 1.000 peak 1523 spectrum 1 weight 0.11000E+01 volume 0.13916E+00 ppm1 3.041 ppm2 3.040 CV 1 OR { 1523} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 62 and name HE2 )) ASSI { 1527} (( segid " " and resid 62 and name HD1 )) (( segid " " and resid 62 and name HD2 )) 1.500 1.500 4.500 peak 1527 spectrum 1 weight 0.11000E+01 volume 0.41686E-01 ppm1 1.760 ppm2 1.761 CV 1 ASSI { 1529} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HA )) 5.300 3.500 0.700 peak 1529 spectrum 1 weight 0.11000E+01 volume 0.24540E-03 ppm1 1.709 ppm2 3.630 CV 1 ASSI { 1532} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG1 )) 3.100 1.200 1.200 peak 1532 spectrum 1 weight 0.11000E+01 volume 0.18721E-02 ppm1 1.700 ppm2 1.529 CV 1 ASSI { 1535} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HE1 )) 5.700 4.000 0.300 peak 1535 spectrum 1 weight 0.11000E+01 volume 0.29033E-03 ppm1 1.687 ppm2 3.027 CV 1 OR { 1535} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HE2 )) ASSI { 1536} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HE2 )) 6.000 4.500 0.000 peak 1536 spectrum 1 weight 0.11000E+01 volume 0.22476E-03 ppm1 1.833 ppm2 3.027 CV 1 OR { 1536} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HE1 )) ASSI { 1539} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HD1 )) 3.200 1.300 1.300 peak 1539 spectrum 1 weight 0.11000E+01 volume 0.27305E-02 ppm1 1.529 ppm2 1.761 CV 1 ASSI { 1540} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HD1 )) 2.800 1.000 1.000 peak 1540 spectrum 1 weight 0.11000E+01 volume 0.19224E-02 ppm1 1.338 ppm2 1.759 CV 1 ASSI { 1541} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HB1 )) 2.900 1.100 1.100 peak 1541 spectrum 1 weight 0.11000E+01 volume 0.12709E-02 ppm1 1.340 ppm2 1.841 CV 1 ASSI { 1542} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HB1 )) 3.400 1.400 1.400 peak 1542 spectrum 1 weight 0.11000E+01 volume 0.14687E-02 ppm1 1.533 ppm2 1.840 CV 1 ASSI { 1543} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HD2 )) 2.500 0.800 0.800 peak 1543 spectrum 1 weight 0.11000E+01 volume 0.46537E-02 ppm1 1.529 ppm2 1.709 CV 1 OR { 1543} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HB2 )) ASSI { 1544} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HB2 )) 3.100 1.200 1.200 peak 1544 spectrum 1 weight 0.11000E+01 volume 0.31596E-02 ppm1 1.340 ppm2 1.712 CV 1 OR { 1544} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HD2 )) ASSI { 1545} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 62 and name HA )) 6.000 4.700 0.000 peak 1545 spectrum 1 weight 0.11000E+01 volume 0.16749E-03 ppm1 3.042 ppm2 3.622 CV 1 OR { 1545} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HA )) ASSI { 1546} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HD2 )) 2.900 1.100 1.100 peak 1546 spectrum 1 weight 0.11000E+01 volume 0.27635E-02 ppm1 3.035 ppm2 1.707 CV 1 OR { 1546} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 62 and name HD2 )) OR { 1546} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HB2 )) ASSI { 1547} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 62 and name HD1 )) 2.800 1.000 1.000 peak 1547 spectrum 1 weight 0.11000E+01 volume 0.31279E-02 ppm1 3.036 ppm2 1.738 CV 1 OR { 1547} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HD1 )) ASSI { 1548} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 62 and name HG2 )) 3.000 1.200 1.200 peak 1548 spectrum 1 weight 0.11000E+01 volume 0.13927E-02 ppm1 3.040 ppm2 1.336 CV 1 OR { 1548} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 62 and name HG2 )) ASSI { 1553} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HB2 )) 2.000 0.500 0.500 peak 1553 spectrum 1 weight 0.11000E+01 volume 0.57147E-02 ppm1 1.641 ppm2 1.263 CV 1 ASSI { 1558} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HA )) 6.000 5.400 0.000 peak 1558 spectrum 1 weight 0.11000E+01 volume 0.15378E-03 ppm1 1.409 ppm2 3.975 CV 1 ASSI { 1559} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HA )) 6.000 5.800 0.000 peak 1559 spectrum 1 weight 0.11000E+01 volume 0.20039E-03 ppm1 1.360 ppm2 3.975 CV 1 ASSI { 1561} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HD2 )) 1.400 0.200 0.800 peak 1561 spectrum 1 weight 0.11000E+01 volume 0.48370E-01 ppm1 1.390 ppm2 1.392 CV 1 OR { 1561} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HD1 )) ASSI { 1562} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HD1 )) 6.000 5.900 0.000 peak 1562 spectrum 1 weight 0.11000E+01 volume 0.13968E-03 ppm1 3.961 ppm2 1.411 CV 1 OR { 1562} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HD2 )) ASSI { 1566} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HG1 )) 1.800 0.400 0.400 peak 1566 spectrum 1 weight 0.11000E+01 volume 0.49050E-02 ppm1 0.624 ppm2 0.924 CV 1 ASSI { 1568} (( segid " " and resid 119 and name HE2 )) (( segid " " and resid 119 and name HB1 )) 3.200 1.300 1.300 peak 1568 spectrum 1 weight 0.11000E+01 volume 0.61678E-03 ppm1 2.768 ppm2 1.646 CV 1 OR { 1568} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HB1 )) ASSI { 1570} (( segid " " and resid 119 and name HE2 )) (( segid " " and resid 119 and name HE1 )) 1.100 0.200 1.100 peak 1570 spectrum 1 weight 0.11000E+01 volume 0.13808E+00 ppm1 2.766 ppm2 2.767 CV 1 OR { 1570} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HE2 )) ASSI { 1573} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG1 )) 5.400 3.600 0.600 peak 1573 spectrum 1 weight 0.11000E+01 volume 0.20026E-03 ppm1 3.965 ppm2 0.928 CV 1 ASSI { 1580} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HD1 )) 3.500 1.500 1.500 peak 1580 spectrum 1 weight 0.11000E+01 volume 0.92328E-03 ppm1 1.232 ppm2 1.381 CV 1 OR { 1580} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HD2 )) ASSI { 1582} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HE2 )) 5.500 3.700 0.500 peak 1582 spectrum 1 weight 0.11000E+01 volume 0.33059E-03 ppm1 1.271 ppm2 2.769 CV 1 OR { 1582} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HE1 )) ASSI { 1591} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HD2 )) 2.800 1.000 1.000 peak 1591 spectrum 1 weight 0.11000E+01 volume 0.23789E-02 ppm1 0.622 ppm2 1.381 CV 1 OR { 1591} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HD1 )) ASSI { 1594} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HG1 )) 2.500 0.800 0.800 peak 1594 spectrum 1 weight 0.11000E+01 volume 0.34496E-02 ppm1 1.399 ppm2 0.939 CV 1 OR { 1594} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HG1 )) ASSI { 1596} (( segid " " and resid 119 and name HE2 )) (( segid " " and resid 119 and name HA )) 5.700 4.100 0.300 peak 1596 spectrum 1 weight 0.11000E+01 volume 0.33326E-03 ppm1 2.745 ppm2 3.971 CV 1 OR { 1596} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HA )) ASSI { 1599} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 119 and name HG1 )) 3.600 1.600 1.600 peak 1599 spectrum 1 weight 0.11000E+01 volume 0.23904E-02 ppm1 2.767 ppm2 0.938 CV 1 OR { 1599} (( segid " " and resid 119 and name HE2 )) (( segid " " and resid 119 and name HG1 )) ASSI { 1601} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) 4.300 2.300 1.700 peak 1601 spectrum 1 weight 0.11000E+01 volume 0.56172E-03 ppm1 4.331 ppm2 1.693 CV 1 ASSI { 1605} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HD2 )) 2.400 2.400 3.600 peak 1605 spectrum 1 weight 0.11000E+01 volume 0.14696E-01 ppm1 1.696 ppm2 1.700 CV 1 OR { 1605} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HD1 )) ASSI { 1607} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 2.100 0.500 0.500 peak 1607 spectrum 1 weight 0.11000E+01 volume 0.65337E-02 ppm1 1.839 ppm2 1.704 CV 1 OR { 1607} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HD1 )) ASSI { 1610} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HA )) 3.800 1.800 1.800 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.89413E-03 ppm1 1.416 ppm2 4.331 CV 1 ASSI { 1614} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HG2 )) 2.000 0.500 0.500 peak 1614 spectrum 1 weight 0.11000E+01 volume 0.45815E-02 ppm1 1.583 ppm2 1.421 CV 1 ASSI { 1617} (( segid " " and resid 145 and name HD1 )) (( segid " " and resid 145 and name HA )) 5.000 3.100 1.000 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.70022E-03 ppm1 1.753 ppm2 4.322 CV 1 ASSI { 1618} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 145 and name HA )) 4.800 2.900 1.200 peak 1618 spectrum 1 weight 0.11000E+01 volume 0.78496E-03 ppm1 1.707 ppm2 4.324 CV 1 ASSI { 1621} (( segid " " and resid 145 and name HD1 )) (( segid " " and resid 145 and name HD2 )) 1.400 1.400 4.600 peak 1621 spectrum 1 weight 0.11000E+01 volume 0.34298E-01 ppm1 1.764 ppm2 1.762 CV 1 ASSI { 1623} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HE2 )) 1.200 0.200 1.000 peak 1623 spectrum 1 weight 0.11000E+01 volume 0.12511E+00 ppm1 3.023 ppm2 3.019 CV 1 OR { 1623} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HE1 )) ASSI { 1628} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG2 )) 3.500 1.500 1.500 peak 1628 spectrum 1 weight 0.11000E+01 volume 0.15114E-02 ppm1 1.672 ppm2 1.422 CV 1 ASSI { 1629} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HG1 )) 3.800 1.800 1.800 peak 1629 spectrum 1 weight 0.11000E+01 volume 0.87265E-03 ppm1 1.877 ppm2 1.590 CV 1 ASSI { 1630} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HG1 )) 2.400 0.700 0.700 peak 1630 spectrum 1 weight 0.11000E+01 volume 0.41963E-02 ppm1 1.663 ppm2 1.596 CV 1 ASSI { 1632} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HE1 )) 5.600 4.000 0.400 peak 1632 spectrum 1 weight 0.11000E+01 volume 0.26441E-03 ppm1 1.686 ppm2 3.022 CV 1 OR { 1632} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 145 and name HE2 )) ASSI { 1633} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HD2 )) 2.600 0.900 0.900 peak 1633 spectrum 1 weight 0.11000E+01 volume 0.25577E-02 ppm1 1.586 ppm2 1.698 CV 1 OR { 1633} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HB2 )) ASSI { 1635} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HB2 )) 2.900 1.000 1.000 peak 1635 spectrum 1 weight 0.11000E+01 volume 0.23327E-02 ppm1 1.411 ppm2 1.697 CV 1 OR { 1635} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HD2 )) ASSI { 1637} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HD1 )) 2.800 1.000 1.000 peak 1637 spectrum 1 weight 0.11000E+01 volume 0.38629E-02 ppm1 1.411 ppm2 1.782 CV 1 ASSI { 1638} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HD1 )) 2.800 1.000 1.000 peak 1638 spectrum 1 weight 0.11000E+01 volume 0.20796E-02 ppm1 1.586 ppm2 1.771 CV 1 ASSI { 1639} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HA )) 4.900 2.900 1.100 peak 1639 spectrum 1 weight 0.11000E+01 volume 0.70067E-03 ppm1 3.018 ppm2 4.341 CV 1 OR { 1639} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HA )) ASSI { 1640} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HD2 )) 2.900 1.100 1.100 peak 1640 spectrum 1 weight 0.11000E+01 volume 0.28311E-02 ppm1 3.017 ppm2 1.704 CV 1 OR { 1640} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HD2 )) OR { 1640} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HB2 )) ASSI { 1641} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HD1 )) 3.000 1.100 1.100 peak 1641 spectrum 1 weight 0.11000E+01 volume 0.23741E-02 ppm1 3.026 ppm2 1.743 CV 1 OR { 1641} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HD1 )) ASSI { 1645} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HB2 )) 1.800 0.400 0.400 peak 1645 spectrum 1 weight 0.11000E+01 volume 0.68353E-02 ppm1 1.802 ppm2 1.804 CV 1 OR { 1645} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HB1 )) ASSI { 1647} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 1647 spectrum 1 weight 0.11000E+01 volume 0.11932E-02 ppm1 1.342 ppm2 5.938 CV 1 OR { 1647} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) ASSI { 1648} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HG1 )) 1.600 1.600 4.400 peak 1648 spectrum 1 weight 0.11000E+01 volume 0.17499E-01 ppm1 1.378 ppm2 1.374 CV 1 OR { 1648} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HG2 )) ASSI { 1649} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HA )) 4.900 3.000 1.100 peak 1649 spectrum 1 weight 0.11000E+01 volume 0.55564E-03 ppm1 2.778 ppm2 5.935 CV 1 OR { 1649} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HA )) ASSI { 1650} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HD2 )) 1.500 0.300 0.700 peak 1650 spectrum 1 weight 0.11000E+01 volume 0.36066E-01 ppm1 2.783 ppm2 2.785 CV 1 OR { 1650} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HD1 )) ASSI { 1654} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB2 )) 3.000 1.100 1.100 peak 1654 spectrum 1 weight 0.11000E+01 volume 0.15252E-02 ppm1 1.352 ppm2 1.815 CV 1 OR { 1654} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB1 )) OR { 1654} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB2 )) OR { 1654} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HB1 )) ASSI { 1657} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HG1 )) 2.600 0.900 0.900 peak 1657 spectrum 1 weight 0.11000E+01 volume 0.31658E-02 ppm1 2.781 ppm2 1.343 CV 1 OR { 1657} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HG2 )) OR { 1657} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HG1 )) OR { 1657} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HG2 )) ASSI { 1660} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HH12)) 5.400 3.700 0.600 peak 1660 spectrum 1 weight 0.11000E+01 volume 0.49792E-03 ppm1 5.945 ppm2 7.018 CV 1 OR { 1660} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HH21)) OR { 1660} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HH11)) ASSI { 1662} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HE )) 3.500 1.500 1.500 peak 1662 spectrum 1 weight 0.11000E+01 volume 0.69710E-03 ppm1 1.796 ppm2 7.230 CV 1 OR { 1662} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HE )) ASSI { 1663} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HH21)) 5.500 3.800 0.500 peak 1663 spectrum 1 weight 0.11000E+01 volume 0.16967E-03 ppm1 1.796 ppm2 7.020 CV 1 OR { 1663} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HH12)) OR { 1663} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HH22)) OR { 1663} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HH21)) OR { 1663} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HH11)) OR { 1663} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HH11)) ASSI { 1664} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HE )) 4.500 2.500 1.500 peak 1664 spectrum 1 weight 0.11000E+01 volume 0.27131E-03 ppm1 1.340 ppm2 7.226 CV 1 OR { 1664} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HE )) ASSI { 1665} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HH12)) 6.000 5.100 0.000 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.98186E-04 ppm1 1.345 ppm2 7.016 CV 1 OR { 1665} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HH12)) OR { 1665} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HH11)) OR { 1665} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HH11)) OR { 1665} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HH21)) OR { 1665} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HH22)) ASSI { 1666} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HE )) 3.900 1.900 1.900 peak 1666 spectrum 1 weight 0.11000E+01 volume 0.38528E-03 ppm1 2.787 ppm2 7.230 CV 1 OR { 1666} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HE )) ASSI { 1667} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HH12)) 4.900 4.900 1.100 peak 1667 spectrum 1 weight 0.11000E+01 volume 0.14495E-03 ppm1 2.763 ppm2 7.013 CV 1 OR { 1667} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HH12)) OR { 1667} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HH11)) OR { 1667} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HH11)) OR { 1667} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 46 and name HH21)) ASSI { 1669} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 3.600 1.600 1.600 peak 1669 spectrum 1 weight 0.11000E+01 volume 0.65641E-03 ppm1 5.200 ppm2 1.572 CV 1 OR { 1669} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG2 )) ASSI { 1671} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 4.300 2.300 1.700 peak 1671 spectrum 1 weight 0.11000E+01 volume 0.36903E-03 ppm1 1.546 ppm2 5.204 CV 1 ASSI { 1673} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 2.600 0.800 0.800 peak 1673 spectrum 1 weight 0.11000E+01 volume 0.17811E-02 ppm1 1.925 ppm2 1.555 CV 1 OR { 1673} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HG2 )) ASSI { 1674} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HG2 )) 3.100 1.200 1.200 peak 1674 spectrum 1 weight 0.11000E+01 volume 0.35610E-02 ppm1 1.540 ppm2 1.543 CV 1 ASSI { 1675} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HB1 )) 2.300 0.600 0.600 peak 1675 spectrum 1 weight 0.11000E+01 volume 0.31598E-02 ppm1 1.551 ppm2 1.929 CV 1 ASSI { 1677} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 1677 spectrum 1 weight 0.11000E+01 volume 0.12438E-02 ppm1 1.581 ppm2 5.197 CV 1 ASSI { 1679} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HA )) 6.000 5.300 0.000 peak 1679 spectrum 1 weight 0.11000E+01 volume 0.15218E-03 ppm1 3.202 ppm2 5.212 CV 1 ASSI { 1680} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HA )) 5.300 3.500 0.700 peak 1680 spectrum 1 weight 0.11000E+01 volume 0.18076E-03 ppm1 3.064 ppm2 5.200 CV 1 ASSI { 1684} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HG1 )) 2.900 1.100 1.100 peak 1684 spectrum 1 weight 0.11000E+01 volume 0.12754E-02 ppm1 1.545 ppm2 1.773 CV 1 ASSI { 1686} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD2 )) 4.900 3.000 1.100 peak 1686 spectrum 1 weight 0.11000E+01 volume 0.47562E-03 ppm1 1.539 ppm2 3.075 CV 1 ASSI { 1687} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD1 )) 5.200 3.400 0.800 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.45240E-03 ppm1 1.538 ppm2 3.188 CV 1 ASSI { 1689} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HD1 )) 5.200 3.300 0.800 peak 1689 spectrum 1 weight 0.11000E+01 volume 0.33189E-03 ppm1 1.934 ppm2 3.187 CV 1 ASSI { 1690} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HG2 )) 2.200 0.600 0.600 peak 1690 spectrum 1 weight 0.11000E+01 volume 0.41247E-02 ppm1 1.773 ppm2 1.591 CV 1 OR { 1690} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HB2 )) ASSI { 1692} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HB1 )) 3.000 1.100 1.100 peak 1692 spectrum 1 weight 0.11000E+01 volume 0.44615E-02 ppm1 1.761 ppm2 1.885 CV 1 ASSI { 1693} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HG1 )) 1.900 0.400 0.400 peak 1693 spectrum 1 weight 0.11000E+01 volume 0.87413E-02 ppm1 1.586 ppm2 1.783 CV 1 ASSI { 1695} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HD2 )) 3.600 1.600 1.600 peak 1695 spectrum 1 weight 0.11000E+01 volume 0.50122E-03 ppm1 1.584 ppm2 3.079 CV 1 ASSI { 1696} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HD1 )) 3.200 1.300 1.300 peak 1696 spectrum 1 weight 0.11000E+01 volume 0.12199E-02 ppm1 1.586 ppm2 3.189 CV 1 ASSI { 1698} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HG2 )) 3.500 1.500 1.500 peak 1698 spectrum 1 weight 0.11000E+01 volume 0.87526E-03 ppm1 3.068 ppm2 1.567 CV 1 OR { 1698} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB2 )) ASSI { 1699} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HG2 )) 3.700 1.700 1.700 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.71114E-03 ppm1 3.188 ppm2 1.569 CV 1 OR { 1699} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB2 )) ASSI { 1701} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB1 )) 3.500 1.600 1.600 peak 1701 spectrum 1 weight 0.11000E+01 volume 0.44585E-03 ppm1 3.069 ppm2 1.927 CV 1 ASSI { 1703} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HG1 )) 3.700 1.700 1.700 peak 1703 spectrum 1 weight 0.11000E+01 volume 0.37523E-03 ppm1 3.202 ppm2 1.781 CV 1 ASSI { 1706} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HD1 )) 2.100 0.600 0.600 peak 1706 spectrum 1 weight 0.11000E+01 volume 0.41071E-02 ppm1 3.071 ppm2 3.187 CV 1 ASSI { 1708} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HA )) 2.800 2.800 3.200 peak 1708 spectrum 1 weight 0.11000E+01 volume 0.10135E-02 ppm1 1.698 ppm2 4.506 CV 1 ASSI { 1709} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 1709 spectrum 1 weight 0.11000E+01 volume 0.28176E-02 ppm1 3.234 ppm2 4.506 CV 1 OR { 1709} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HA )) ASSI { 1710} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HD1 )) 1.100 0.100 1.100 peak 1710 spectrum 1 weight 0.11000E+01 volume 0.23936E+00 ppm1 3.238 ppm2 3.236 CV 1 OR { 1710} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HD2 )) ASSI { 1711} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HD1 )) 2.500 0.800 0.800 peak 1711 spectrum 1 weight 0.11000E+01 volume 0.54223E-02 ppm1 1.692 ppm2 3.241 CV 1 OR { 1711} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HD2 )) OR { 1711} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HD2 )) OR { 1711} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HD1 )) ASSI { 1714} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HG2 )) 1.200 0.200 1.000 peak 1714 spectrum 1 weight 0.11000E+01 volume 0.91079E-01 ppm1 1.698 ppm2 1.689 CV 1 OR { 1714} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HG1 )) ASSI { 1715} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HB1 )) 3.000 1.100 1.100 peak 1715 spectrum 1 weight 0.11000E+01 volume 0.23531E-02 ppm1 3.240 ppm2 1.882 CV 1 OR { 1715} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HB1 )) OR { 1715} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HB2 )) OR { 1715} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HB2 )) ASSI { 1716} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HG1 )) 2.500 0.800 0.800 peak 1716 spectrum 1 weight 0.11000E+01 volume 0.53907E-02 ppm1 3.240 ppm2 1.705 CV 1 OR { 1716} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HG1 )) ASSI { 1717} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HG2 )) 2.500 0.800 0.800 peak 1717 spectrum 1 weight 0.11000E+01 volume 0.47974E-02 ppm1 3.237 ppm2 1.660 CV 1 OR { 1717} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HG2 )) ASSI { 1718} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 3.500 1.500 1.500 peak 1718 spectrum 1 weight 0.11000E+01 volume 0.64205E-03 ppm1 4.508 ppm2 1.886 CV 1 OR { 1718} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) ASSI { 1720} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HH11)) 4.200 2.200 1.800 peak 1720 spectrum 1 weight 0.11000E+01 volume 0.21726E-03 ppm1 3.246 ppm2 6.800 CV 1 OR { 1720} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HH11)) OR { 1720} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HH12)) ASSI { 1721} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HE )) 4.200 2.200 1.800 peak 1721 spectrum 1 weight 0.11000E+01 volume 0.28993E-03 ppm1 3.240 ppm2 7.197 CV 1 OR { 1721} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HE )) ASSI { 1722} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HE )) 4.600 4.600 1.400 peak 1722 spectrum 1 weight 0.11000E+01 volume 0.13263E-03 ppm1 1.729 ppm2 7.195 CV 1 OR { 1722} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HE )) ASSI { 1723} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HE )) 6.000 6.000 0.000 peak 1723 spectrum 1 weight 0.11000E+01 volume 0.26192E-03 ppm1 4.440 ppm2 7.195 CV 1 ASSI { 1724} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HH11)) 6.000 6.000 0.000 peak 1724 spectrum 1 weight 0.11000E+01 volume 0.65727E-04 ppm1 1.747 ppm2 6.796 CV 1 OR { 1724} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HH12)) ASSI { 1727} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HA )) 4.500 2.600 1.500 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.55689E-03 ppm1 1.728 ppm2 4.453 CV 1 ASSI { 1728} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HA )) 4.400 2.400 1.600 peak 1728 spectrum 1 weight 0.11000E+01 volume 0.60308E-03 ppm1 1.631 ppm2 4.450 CV 1 ASSI { 1729} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HD2 )) 2.700 2.700 3.300 peak 1729 spectrum 1 weight 0.11000E+01 volume 0.41711E-02 ppm1 1.691 ppm2 3.241 CV 1 OR { 1729} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HD1 )) OR { 1729} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HD1 )) ASSI { 1730} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HG1 )) 1.300 1.300 4.700 peak 1730 spectrum 1 weight 0.11000E+01 volume 0.84364E-01 ppm1 1.650 ppm2 1.654 CV 1 ASSI { 1732} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HD1 )) 2.400 0.700 0.700 peak 1732 spectrum 1 weight 0.11000E+01 volume 0.53795E-02 ppm1 2.034 ppm2 3.815 CV 1 ASSI { 1733} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HB2 )) 6.000 6.000 0.000 peak 1733 spectrum 1 weight 0.11000E+01 volume 0.86452E-04 ppm1 4.496 ppm2 1.417 CV 1 ASSI { 1735} (( segid " " and resid 51 and name HA )) (( segid " " and resid 111 and name HB )) 4.800 2.800 1.200 peak 1735 spectrum 1 weight 0.11000E+01 volume 0.54687E-03 ppm1 4.507 ppm2 3.784 CV 1 ASSI { 1736} (( segid " " and resid 51 and name HB )) ( segid " " and resid 111 and name HG2%) 4.900 3.100 1.100 peak 1736 spectrum 1 weight 0.11000E+01 volume 0.55956E-03 ppm1 2.054 ppm2 1.201 CV 1 ASSI { 1737} (( segid " " and resid 51 and name HB )) (( segid " " and resid 50 and name HG )) 5.800 4.200 0.200 peak 1737 spectrum 1 weight 0.11000E+01 volume 0.26936E-03 ppm1 2.062 ppm2 1.597 CV 1 ASSI { 1738} (( segid " " and resid 51 and name HB )) (( segid " " and resid 52 and name HB2 )) 3.100 3.100 2.900 peak 1738 spectrum 1 weight 0.11000E+01 volume 0.10597E-01 ppm1 2.062 ppm2 1.883 CV 1 ASSI { 1741} (( segid " " and resid 51 and name HB )) (( segid " " and resid 111 and name HA )) 4.800 2.900 1.200 peak 1741 spectrum 1 weight 0.11000E+01 volume 0.47223E-03 ppm1 2.053 ppm2 5.616 CV 1 ASSI { 1742} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 50 and name HB2 )) 4.800 4.800 1.200 peak 1742 spectrum 1 weight 0.11000E+01 volume 0.11570E-02 ppm1 1.036 ppm2 1.418 CV 1 ASSI { 1743} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 50 and name HG )) 4.800 4.800 1.200 peak 1743 spectrum 1 weight 0.11000E+01 volume 0.13490E-02 ppm1 1.054 ppm2 1.583 CV 1 ASSI { 1744} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HG2 )) 4.900 4.900 1.100 peak 1744 spectrum 1 weight 0.11000E+01 volume 0.89119E-03 ppm1 1.060 ppm2 1.754 CV 1 ASSI { 1745} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HB2 )) 4.400 4.400 1.600 peak 1745 spectrum 1 weight 0.11000E+01 volume 0.14179E-02 ppm1 1.060 ppm2 1.892 CV 1 ASSI { 1747} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 110 and name HB1 )) 4.600 4.600 1.400 peak 1747 spectrum 1 weight 0.11000E+01 volume 0.13191E-02 ppm1 1.097 ppm2 2.230 CV 1 ASSI { 1748} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HD2 )) 3.700 3.700 2.300 peak 1748 spectrum 1 weight 0.11000E+01 volume 0.90633E-03 ppm1 1.063 ppm2 3.636 CV 1 ASSI { 1749} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 111 and name HB )) 4.000 2.000 2.000 peak 1749 spectrum 1 weight 0.11000E+01 volume 0.23833E-02 ppm1 1.066 ppm2 3.781 CV 1 ASSI { 1750} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 49 and name HA )) 3.700 3.700 2.300 peak 1750 spectrum 1 weight 0.11000E+01 volume 0.32103E-02 ppm1 1.065 ppm2 3.990 CV 1 ASSI { 1751} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HA )) 4.000 4.000 2.000 peak 1751 spectrum 1 weight 0.11000E+01 volume 0.11124E-02 ppm1 1.066 ppm2 4.393 CV 1 ASSI { 1753} ( segid " " and resid 51 and name HG2%) ( segid " " and resid 111 and name HG2%) 4.200 4.200 1.800 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.15203E-02 ppm1 0.910 ppm2 1.198 CV 1 ASSI { 1754} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 50 and name HB2 )) 3.100 3.100 2.900 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.13657E-02 ppm1 0.911 ppm2 1.459 CV 1 ASSI { 1755} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 50 and name HB1 )) 3.700 3.700 2.300 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.19170E-02 ppm1 0.915 ppm2 1.545 CV 1 ASSI { 1756} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 52 and name HB2 )) 5.100 5.100 0.900 peak 1756 spectrum 1 weight 0.11000E+01 volume 0.97193E-03 ppm1 0.918 ppm2 1.888 CV 1 ASSI { 1757} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 110 and name HB2 )) 4.200 4.200 1.800 peak 1757 spectrum 1 weight 0.11000E+01 volume 0.16087E-02 ppm1 0.910 ppm2 1.977 CV 1 ASSI { 1758} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 52 and name HD2 )) 4.800 2.900 1.200 peak 1758 spectrum 1 weight 0.11000E+01 volume 0.12347E-02 ppm1 0.920 ppm2 3.628 CV 1 ASSI { 1759} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 111 and name HB )) 3.100 3.100 2.900 peak 1759 spectrum 1 weight 0.11000E+01 volume 0.24846E-02 ppm1 0.906 ppm2 3.780 CV 1 ASSI { 1760} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 111 and name HA )) 3.800 3.800 2.200 peak 1760 spectrum 1 weight 0.11000E+01 volume 0.27174E-02 ppm1 0.923 ppm2 5.620 CV 1 ASSI { 1762} (( segid " " and resid 51 and name HB )) (( segid " " and resid 50 and name HB2 )) 4.900 4.900 1.100 peak 1762 spectrum 1 weight 0.11000E+01 volume 0.27156E-03 ppm1 2.033 ppm2 1.417 CV 1 ASSI { 1763} (( segid " " and resid 51 and name HB )) (( segid " " and resid 52 and name HD2 )) 5.800 4.300 0.200 peak 1763 spectrum 1 weight 0.11000E+01 volume 0.18829E-03 ppm1 2.059 ppm2 3.622 CV 1 ASSI { 1764} (( segid " " and resid 51 and name HB )) (( segid " " and resid 49 and name HA )) 5.400 3.600 0.600 peak 1764 spectrum 1 weight 0.11000E+01 volume 0.25184E-03 ppm1 2.054 ppm2 3.976 CV 1 ASSI { 1765} (( segid " " and resid 51 and name HB )) (( segid " " and resid 52 and name HA )) 4.400 2.400 1.600 peak 1765 spectrum 1 weight 0.11000E+01 volume 0.58771E-03 ppm1 2.044 ppm2 4.398 CV 1 ASSI { 1766} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 47 and name HA )) 3.200 1.300 1.300 peak 1766 spectrum 1 weight 0.11000E+01 volume 0.13494E-02 ppm1 0.922 ppm2 5.945 CV 1 ASSI { 1767} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 62 and name HD1 )) 3.900 1.900 1.900 peak 1767 spectrum 1 weight 0.11000E+01 volume 0.24779E-02 ppm1 0.935 ppm2 1.743 CV 1 ASSI { 1771} (( segid " " and resid 65 and name HA )) (( segid " " and resid 89 and name HA )) 3.400 1.400 1.400 peak 1771 spectrum 1 weight 0.11000E+01 volume 0.94006E-03 ppm1 4.266 ppm2 4.589 CV 1 ASSI { 1777} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 66 and name HG1%) 3.300 3.300 2.700 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.53684E-02 ppm1 0.861 ppm2 0.690 CV 1 ASSI { 1781} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 66 and name HA )) 3.500 3.500 2.500 peak 1781 spectrum 1 weight 0.11000E+01 volume 0.19827E-02 ppm1 0.847 ppm2 5.066 CV 1 ASSI { 1784} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 87 and name HA )) 4.800 4.800 1.200 peak 1784 spectrum 1 weight 0.11000E+01 volume 0.80894E-03 ppm1 0.843 ppm2 5.377 CV 1 ASSI { 1787} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 45 and name HN )) 4.000 2.000 2.000 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.12658E-03 ppm1 0.830 ppm2 8.368 CV 1 ASSI { 1788} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 66 and name HG2%) 5.700 5.700 0.300 peak 1788 spectrum 1 weight 0.11000E+01 volume 0.23437E-03 ppm1 0.478 ppm2 0.031 CV 1 ASSI { 1789} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 87 and name HG2%) 2.600 0.800 0.800 peak 1789 spectrum 1 weight 0.11000E+01 volume 0.58676E-02 ppm1 0.466 ppm2 0.730 CV 1 ASSI { 1793} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 87 and name HB )) 5.300 3.500 0.700 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.31087E-03 ppm1 0.463 ppm2 1.896 CV 1 ASSI { 1794} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 148 and name HB )) 5.000 3.100 1.000 peak 1794 spectrum 1 weight 0.11000E+01 volume 0.21996E-03 ppm1 0.467 ppm2 2.114 CV 1 ASSI { 1797} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 89 and name HA )) 4.800 2.800 1.200 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.50486E-03 ppm1 0.462 ppm2 4.591 CV 1 ASSI { 1800} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 66 and name HA )) 4.100 2.100 1.900 peak 1800 spectrum 1 weight 0.11000E+01 volume 0.44158E-03 ppm1 0.466 ppm2 5.061 CV 1 ASSI { 1805} (( segid " " and resid 66 and name HA )) ( segid " " and resid 144 and name HD2%) 5.700 5.700 0.300 peak 1805 spectrum 1 weight 0.11000E+01 volume 0.33292E-03 ppm1 5.067 ppm2 0.898 CV 1 ASSI { 1807} (( segid " " and resid 66 and name HA )) (( segid " " and resid 65 and name HA )) 5.400 3.600 0.600 peak 1807 spectrum 1 weight 0.11000E+01 volume 0.18035E-03 ppm1 5.072 ppm2 4.288 CV 1 ASSI { 1812} (( segid " " and resid 66 and name HA )) ( segid " " and resid 88 and name HE% ) 6.000 6.000 0.000 peak 1812 spectrum 1 weight 0.11000E+01 volume 0.11578E-03 ppm1 5.040 ppm2 7.174 CV 1 ASSI { 1814} (( segid " " and resid 66 and name HB )) ( segid " " and resid 65 and name HG2%) 5.900 4.400 0.100 peak 1814 spectrum 1 weight 0.11000E+01 volume 0.13957E-03 ppm1 1.701 ppm2 0.453 CV 1 ASSI { 1815} (( segid " " and resid 66 and name HB )) ( segid " " and resid 90 and name HD2%) 5.000 5.000 1.000 peak 1815 spectrum 1 weight 0.11000E+01 volume 0.50909E-03 ppm1 1.681 ppm2 0.765 CV 1 ASSI { 1816} (( segid " " and resid 66 and name HB )) ( segid " " and resid 148 and name HG1%) 4.200 4.200 1.800 peak 1816 spectrum 1 weight 0.11000E+01 volume 0.14829E-02 ppm1 1.688 ppm2 0.893 CV 1 ASSI { 1817} (( segid " " and resid 66 and name HB )) ( segid " " and resid 103 and name HG2%) 4.300 2.300 1.700 peak 1817 spectrum 1 weight 0.11000E+01 volume 0.77027E-03 ppm1 1.687 ppm2 1.054 CV 1 ASSI { 1820} (( segid " " and resid 66 and name HB )) (( segid " " and resid 60 and name HG2 )) 4.000 2.000 2.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 1.696 ppm2 1.875 CV 1 ASSI { 1824} (( segid " " and resid 66 and name HB )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 1824 spectrum 1 weight 0.11000E+01 volume 0.80307E-04 ppm1 1.688 ppm2 5.595 CV 1 ASSI { 1825} (( segid " " and resid 66 and name HB )) ( segid " " and resid 88 and name HE% ) 6.000 5.500 0.000 peak 1825 spectrum 1 weight 0.11000E+01 volume 0.47444E-04 ppm1 1.697 ppm2 7.186 CV 1 ASSI { 1826} (( segid " " and resid 66 and name HB )) ( segid " " and resid 88 and name HD% ) 6.000 5.700 0.000 peak 1826 spectrum 1 weight 0.11000E+01 volume 0.52731E-04 ppm1 1.691 ppm2 6.968 CV 1 ASSI { 1833} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 64 and name HB1 )) 4.800 2.900 1.200 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.38302E-03 ppm1 0.685 ppm2 2.209 CV 1 ASSI { 1834} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 103 and name HB )) 5.100 3.300 0.900 peak 1834 spectrum 1 weight 0.11000E+01 volume 0.32354E-03 ppm1 0.685 ppm2 2.305 CV 1 ASSI { 1835} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 64 and name HG1 )) 5.800 4.200 0.200 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.15126E-03 ppm1 0.685 ppm2 2.466 CV 1 ASSI { 1836} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 146 and name HB )) 6.000 6.000 0.000 peak 1836 spectrum 1 weight 0.11000E+01 volume 0.12826E-03 ppm1 0.678 ppm2 4.026 CV 1 ASSI { 1837} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 65 and name HA )) 4.900 3.000 1.100 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.22743E-03 ppm1 0.675 ppm2 4.277 CV 1 ASSI { 1838} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 90 and name HA )) 5.500 5.500 0.500 peak 1838 spectrum 1 weight 0.11000E+01 volume 0.19842E-03 ppm1 0.670 ppm2 4.336 CV 1 ASSI { 1839} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 64 and name HA )) 4.600 2.600 1.400 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.47133E-03 ppm1 0.685 ppm2 4.455 CV 1 ASSI { 1841} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 88 and name HZ )) 5.800 5.800 0.200 peak 1841 spectrum 1 weight 0.11000E+01 volume 0.15123E-03 ppm1 0.670 ppm2 6.838 CV 1 ASSI { 1842} ( segid " " and resid 66 and name HG1%) ( segid " " and resid 88 and name HD% ) 6.000 6.000 0.000 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.13593E-03 ppm1 0.675 ppm2 6.965 CV 1 ASSI { 1843} ( segid " " and resid 66 and name HG1%) ( segid " " and resid 88 and name HE% ) 5.600 4.000 0.400 peak 1843 spectrum 1 weight 0.11000E+01 volume 0.26024E-03 ppm1 0.683 ppm2 7.179 CV 1 ASSI { 1845} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 90 and name HD2%) 3.800 1.800 1.800 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.12723E-02 ppm1 0.033 ppm2 0.749 CV 1 ASSI { 1846} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 144 and name HD2%) 4.100 2.100 1.900 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.11565E-02 ppm1 0.029 ppm2 0.901 CV 1 ASSI { 1847} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 68 and name HG2%) 3.600 1.600 1.600 peak 1847 spectrum 1 weight 0.11000E+01 volume 0.15242E-02 ppm1 0.026 ppm2 0.964 CV 1 ASSI { 1848} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 103 and name HG2%) 2.800 1.000 1.000 peak 1848 spectrum 1 weight 0.11000E+01 volume 0.28305E-02 ppm1 0.025 ppm2 1.038 CV 1 ASSI { 1849} ( segid " " and resid 66 and name HG2%) ( segid " " and resid 103 and name HG1%) 3.300 1.300 1.300 peak 1849 spectrum 1 weight 0.11000E+01 volume 0.90768E-03 ppm1 0.031 ppm2 1.307 CV 1 ASSI { 1850} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 90 and name HB2 )) 3.500 1.500 1.500 peak 1850 spectrum 1 weight 0.11000E+01 volume 0.62338E-03 ppm1 0.023 ppm2 1.447 CV 1 ASSI { 1851} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 90 and name HG )) 4.800 2.900 1.200 peak 1851 spectrum 1 weight 0.11000E+01 volume 0.61170E-03 ppm1 0.022 ppm2 1.603 CV 1 ASSI { 1853} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 103 and name HB )) 5.400 3.700 0.600 peak 1853 spectrum 1 weight 0.11000E+01 volume 0.17567E-03 ppm1 0.032 ppm2 2.288 CV 1 ASSI { 1855} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 67 and name HB )) 6.000 6.000 0.000 peak 1855 spectrum 1 weight 0.11000E+01 volume 0.95253E-04 ppm1 0.035 ppm2 4.003 CV 1 ASSI { 1856} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 90 and name HA )) 5.200 3.400 0.800 peak 1856 spectrum 1 weight 0.11000E+01 volume 0.28680E-03 ppm1 0.031 ppm2 4.357 CV 1 ASSI { 1858} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 89 and name HA )) 5.500 5.500 0.500 peak 1858 spectrum 1 weight 0.11000E+01 volume 0.33364E-03 ppm1 0.024 ppm2 4.603 CV 1 ASSI { 1859} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 144 and name HA )) 4.800 2.900 1.200 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.56324E-03 ppm1 0.025 ppm2 4.693 CV 1 ASSI { 1860} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 87 and name HA )) 5.200 3.400 0.800 peak 1860 spectrum 1 weight 0.11000E+01 volume 0.17314E-03 ppm1 0.022 ppm2 5.348 CV 1 ASSI { 1865} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 66 and name HA )) 3.900 1.900 1.900 peak 1865 spectrum 1 weight 0.11000E+01 volume 0.27370E-02 ppm1 1.123 ppm2 5.074 CV 1 ASSI { 1866} ( segid " " and resid 147 and name HB% ) (( segid " " and resid 66 and name HB )) 3.600 1.600 1.600 peak 1866 spectrum 1 weight 0.11000E+01 volume 0.31851E-02 ppm1 1.128 ppm2 1.684 CV 1 ASSI { 1868} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 66 and name HG1%) 3.900 1.900 1.900 peak 1868 spectrum 1 weight 0.11000E+01 volume 0.16467E-02 ppm1 1.029 ppm2 0.680 CV 1 ASSI { 1879} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB )) 6.000 6.000 0.000 peak 1879 spectrum 1 weight 0.11000E+01 volume 0.75811E-04 ppm1 5.050 ppm2 4.003 CV 1 ASSI { 1880} (( segid " " and resid 67 and name HB )) (( segid " " and resid 66 and name HB )) 4.400 2.400 1.600 peak 1880 spectrum 1 weight 0.11000E+01 volume 0.73347E-03 ppm1 3.992 ppm2 1.694 CV 1 ASSI { 1884} (( segid " " and resid 68 and name HA )) ( segid " " and resid 66 and name HG2%) 6.000 6.000 0.000 peak 1884 spectrum 1 weight 0.11000E+01 volume 0.45131E-04 ppm1 5.591 ppm2 0.035 CV 1 ASSI { 1885} (( segid " " and resid 68 and name HA )) ( segid " " and resid 144 and name HD2%) 5.400 5.400 0.600 peak 1885 spectrum 1 weight 0.11000E+01 volume 0.43786E-03 ppm1 5.595 ppm2 0.871 CV 1 ASSI { 1886} (( segid " " and resid 68 and name HA )) (( segid " " and resid 144 and name HB2 )) 5.600 3.900 0.400 peak 1886 spectrum 1 weight 0.11000E+01 volume 0.16729E-03 ppm1 5.592 ppm2 1.304 CV 1 ASSI { 1888} (( segid " " and resid 68 and name HA )) (( segid " " and resid 86 and name HB1 )) 6.000 6.000 0.000 peak 1888 spectrum 1 weight 0.11000E+01 volume 0.46373E-04 ppm1 5.593 ppm2 2.052 CV 1 ASSI { 1893} (( segid " " and resid 68 and name HB )) ( segid " " and resid 142 and name HG1%) 3.400 1.400 1.400 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.13601E-02 ppm1 2.237 ppm2 0.859 CV 1 OR { 1893} (( segid " " and resid 68 and name HB )) ( segid " " and resid 142 and name HG2%) ASSI { 1894} (( segid " " and resid 68 and name HB )) (( segid " " and resid 144 and name HB2 )) 4.700 4.700 1.300 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.49681E-03 ppm1 2.189 ppm2 1.303 CV 1 ASSI { 1895} (( segid " " and resid 68 and name HB )) (( segid " " and resid 86 and name HB1 )) 3.600 1.600 1.600 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.31574E-02 ppm1 2.219 ppm2 2.051 CV 1 ASSI { 1897} (( segid " " and resid 68 and name HB )) (( segid " " and resid 88 and name HZ )) 6.000 6.000 0.000 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.85103E-04 ppm1 2.231 ppm2 6.836 CV 1 ASSI { 1898} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HD2 )) 5.500 3.800 0.500 peak 1898 spectrum 1 weight 0.11000E+01 volume 0.15700E-03 ppm1 2.201 ppm2 6.915 CV 1 ASSI { 1899} (( segid " " and resid 68 and name HB )) ( segid " " and resid 88 and name HE% ) 5.800 4.200 0.200 peak 1899 spectrum 1 weight 0.11000E+01 volume 0.18303E-03 ppm1 2.224 ppm2 7.176 CV 1 ASSI { 1901} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 86 and name HB1 )) 4.000 2.000 2.000 peak 1901 spectrum 1 weight 0.11000E+01 volume 0.34088E-02 ppm1 1.098 ppm2 2.062 CV 1 ASSI { 1902} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 144 and name HB2 )) 3.100 1.200 1.200 peak 1902 spectrum 1 weight 0.11000E+01 volume 0.14530E-02 ppm1 1.085 ppm2 1.307 CV 1 ASSI { 1904} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 143 and name HB )) 4.100 2.100 1.900 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 1.085 ppm2 4.103 CV 1 ASSI { 1907} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 88 and name HD% ) 4.800 2.800 1.200 peak 1907 spectrum 1 weight 0.11000E+01 volume 0.62330E-03 ppm1 1.093 ppm2 6.968 CV 1 ASSI { 1911} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 99 and name HD2%) 2.100 2.100 3.900 peak 1911 spectrum 1 weight 0.11000E+01 volume 0.87261E-02 ppm1 0.960 ppm2 0.776 CV 1 ASSI { 1912} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 144 and name HB2 )) 3.800 3.800 2.200 peak 1912 spectrum 1 weight 0.11000E+01 volume 0.24203E-02 ppm1 0.961 ppm2 1.307 CV 1 ASSI { 1916} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 88 and name HZ )) 5.300 3.600 0.700 peak 1916 spectrum 1 weight 0.11000E+01 volume 0.28845E-03 ppm1 0.958 ppm2 6.849 CV 1 ASSI { 1917} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 1917 spectrum 1 weight 0.11000E+01 volume 0.43281E-03 ppm1 0.961 ppm2 6.962 CV 1 ASSI { 1919} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 145 and name HG1 )) 4.200 2.200 1.800 peak 1919 spectrum 1 weight 0.11000E+01 volume 0.17239E-02 ppm1 1.069 ppm2 1.586 CV 1 ASSI { 1921} (( segid " " and resid 68 and name HA )) (( segid " " and resid 87 and name HA )) 6.000 6.000 0.000 peak 1921 spectrum 1 weight 0.11000E+01 volume 0.10851E-03 ppm1 5.612 ppm2 5.378 CV 1 ASSI { 1926} (( segid " " and resid 80 and name HB )) ( segid " " and resid 72 and name HG2%) 4.700 4.700 1.300 peak 1926 spectrum 1 weight 0.11000E+01 volume 0.87254E-03 ppm1 2.004 ppm2 1.179 CV 1 ASSI { 1929} (( segid " " and resid 80 and name HB )) (( segid " " and resid 72 and name HB )) 5.000 3.100 1.000 peak 1929 spectrum 1 weight 0.11000E+01 volume 0.77787E-03 ppm1 2.008 ppm2 4.024 CV 1 ASSI { 1930} (( segid " " and resid 80 and name HB )) (( segid " " and resid 73 and name HA )) 6.000 6.000 0.000 peak 1930 spectrum 1 weight 0.11000E+01 volume 0.19081E-03 ppm1 2.009 ppm2 5.563 CV 1 ASSI { 1931} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 81 and name HG1 )) 6.000 6.000 0.000 peak 1931 spectrum 1 weight 0.11000E+01 volume 0.47597E-03 ppm1 0.928 ppm2 2.363 CV 1 ASSI { 1933} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 81 and name HB1 )) 3.600 1.600 1.600 peak 1933 spectrum 1 weight 0.11000E+01 volume 0.91358E-03 ppm1 0.792 ppm2 2.128 CV 1 ASSI { 1934} (( segid " " and resid 80 and name HA )) ( segid " " and resid 72 and name HG2%) 5.500 5.500 0.500 peak 1934 spectrum 1 weight 0.11000E+01 volume 0.31746E-03 ppm1 4.418 ppm2 1.184 CV 1 ASSI { 1936} (( segid " " and resid 72 and name HB )) (( segid " " and resid 81 and name HB2 )) 4.200 4.200 1.800 peak 1936 spectrum 1 weight 0.11000E+01 volume 0.18691E-02 ppm1 4.028 ppm2 1.996 CV 1 ASSI { 1937} (( segid " " and resid 72 and name HB )) ( segid " " and resid 80 and name HG2%) 4.400 2.400 1.600 peak 1937 spectrum 1 weight 0.11000E+01 volume 0.75916E-03 ppm1 4.030 ppm2 0.830 CV 1 ASSI { 1939} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 73 and name HA )) 4.100 2.100 1.900 peak 1939 spectrum 1 weight 0.11000E+01 volume 0.14675E-02 ppm1 0.824 ppm2 5.547 CV 1 ASSI { 1942} (( segid " " and resid 87 and name HA )) (( segid " " and resid 67 and name HB )) 5.400 3.600 0.600 peak 1942 spectrum 1 weight 0.11000E+01 volume 0.33686E-03 ppm1 5.359 ppm2 3.993 CV 1 ASSI { 1947} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HA )) 6.000 6.000 0.000 peak 1947 spectrum 1 weight 0.11000E+01 volume 0.77802E-04 ppm1 5.367 ppm2 4.963 CV 1 ASSI { 1948} (( segid " " and resid 87 and name HA )) ( segid " " and resid 88 and name HD% ) 4.700 2.700 1.300 peak 1948 spectrum 1 weight 0.11000E+01 volume 0.25160E-03 ppm1 5.353 ppm2 6.965 CV 1 ASSI { 1949} (( segid " " and resid 87 and name HA )) ( segid " " and resid 88 and name HE% ) 6.000 5.000 0.000 peak 1949 spectrum 1 weight 0.11000E+01 volume 0.74376E-04 ppm1 5.363 ppm2 7.172 CV 1 ASSI { 1952} (( segid " " and resid 87 and name HB )) ( segid " " and resid 67 and name HG2%) 4.500 2.500 1.500 peak 1952 spectrum 1 weight 0.11000E+01 volume 0.40807E-03 ppm1 1.883 ppm2 1.072 CV 1 ASSI { 1953} (( segid " " and resid 23 and name HB2 )) ( segid " " and resid 22 and name HB% ) 4.300 2.300 1.700 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.75370E-03 ppm1 1.876 ppm2 1.422 CV 1 ASSI { 1954} (( segid " " and resid 87 and name HB )) (( segid " " and resid 86 and name HG )) 5.100 3.300 0.900 peak 1954 spectrum 1 weight 0.11000E+01 volume 0.40757E-03 ppm1 1.877 ppm2 1.595 CV 1 ASSI { 1956} (( segid " " and resid 87 and name HB )) (( segid " " and resid 67 and name HN )) 6.000 6.000 0.000 peak 1956 spectrum 1 weight 0.11000E+01 volume 0.53523E-04 ppm1 1.876 ppm2 7.775 CV 1 ASSI { 1958} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 66 and name HG2%) 4.400 4.400 1.600 peak 1958 spectrum 1 weight 0.11000E+01 volume 0.10961E-02 ppm1 0.965 ppm2 0.027 CV 1 ASSI { 1959} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 65 and name HG2%) 3.100 1.200 1.200 peak 1959 spectrum 1 weight 0.11000E+01 volume 0.19943E-02 ppm1 0.985 ppm2 0.464 CV 1 ASSI { 1961} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 88 and name HD% ) 5.100 3.200 0.900 peak 1961 spectrum 1 weight 0.11000E+01 volume 0.38163E-03 ppm1 0.962 ppm2 6.962 CV 1 ASSI { 1965} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 65 and name HG1%) 3.100 3.100 2.900 peak 1965 spectrum 1 weight 0.11000E+01 volume 0.68690E-02 ppm1 0.735 ppm2 0.855 CV 1 ASSI { 1967} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 66 and name HB )) 4.500 4.500 1.500 peak 1967 spectrum 1 weight 0.11000E+01 volume 0.59206E-03 ppm1 0.725 ppm2 1.721 CV 1 ASSI { 1968} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HB1 )) 5.800 5.800 0.200 peak 1968 spectrum 1 weight 0.11000E+01 volume 0.21384E-03 ppm1 0.735 ppm2 3.136 CV 1 OR { 1968} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HB2 )) ASSI { 1969} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 67 and name HB )) 6.000 5.400 0.000 peak 1969 spectrum 1 weight 0.11000E+01 volume 0.91847E-04 ppm1 0.750 ppm2 3.985 CV 1 ASSI { 1970} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 65 and name HA )) 5.100 3.300 0.900 peak 1970 spectrum 1 weight 0.11000E+01 volume 0.39398E-03 ppm1 0.732 ppm2 4.269 CV 1 ASSI { 1972} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HA )) 4.600 4.600 1.400 peak 1972 spectrum 1 weight 0.11000E+01 volume 0.61668E-03 ppm1 0.729 ppm2 4.969 CV 1 ASSI { 1973} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 66 and name HA )) 4.400 2.400 1.600 peak 1973 spectrum 1 weight 0.11000E+01 volume 0.37437E-03 ppm1 0.726 ppm2 5.066 CV 1 ASSI { 1975} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 88 and name HD% ) 6.000 6.000 0.000 peak 1975 spectrum 1 weight 0.11000E+01 volume 0.17034E-03 ppm1 0.732 ppm2 6.966 CV 1 ASSI { 1977} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 66 and name HG2%) 5.300 5.300 0.700 peak 1977 spectrum 1 weight 0.11000E+01 volume 0.25807E-03 ppm1 0.727 ppm2 0.020 CV 1 ASSI { 1978} (( segid " " and resid 87 and name HA )) ( segid " " and resid 67 and name HG2%) 3.800 1.800 1.800 peak 1978 spectrum 1 weight 0.11000E+01 volume 0.18414E-02 ppm1 5.322 ppm2 1.070 CV 1 ASSI { 1979} (( segid " " and resid 87 and name HA )) (( segid " " and resid 86 and name HG )) 5.400 3.600 0.600 peak 1979 spectrum 1 weight 0.11000E+01 volume 0.11276E-03 ppm1 5.346 ppm2 1.604 CV 1 ASSI { 1980} (( segid " " and resid 87 and name HA )) (( segid " " and resid 66 and name HB )) 5.800 4.200 0.200 peak 1980 spectrum 1 weight 0.11000E+01 volume 0.85188E-04 ppm1 5.333 ppm2 1.705 CV 1 ASSI { 1982} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HB1 )) 6.000 6.000 0.000 peak 1982 spectrum 1 weight 0.11000E+01 volume 0.35390E-04 ppm1 5.342 ppm2 3.130 CV 1 ASSI { 1983} (( segid " " and resid 87 and name HB )) (( segid " " and resid 88 and name HB1 )) 6.000 5.400 0.000 peak 1983 spectrum 1 weight 0.11000E+01 volume 0.74206E-04 ppm1 1.919 ppm2 3.146 CV 1 OR { 1983} (( segid " " and resid 87 and name HB )) (( segid " " and resid 88 and name HB2 )) ASSI { 1985} (( segid " " and resid 87 and name HB )) (( segid " " and resid 67 and name HB )) 4.900 2.900 1.100 peak 1985 spectrum 1 weight 0.11000E+01 volume 0.49216E-03 ppm1 1.891 ppm2 3.980 CV 1 ASSI { 1986} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 67 and name HB )) 5.600 5.600 0.400 peak 1986 spectrum 1 weight 0.11000E+01 volume 0.39572E-03 ppm1 0.978 ppm2 3.992 CV 1 ASSI { 1992} (( segid " " and resid 87 and name HB )) (( segid " " and resid 88 and name HA )) 6.000 4.700 0.000 peak 1992 spectrum 1 weight 0.11000E+01 volume 0.83111E-04 ppm1 1.907 ppm2 4.966 CV 1 ASSI { 1993} (( segid " " and resid 87 and name HB )) (( segid " " and resid 66 and name HA )) 6.000 6.000 0.000 peak 1993 spectrum 1 weight 0.11000E+01 volume 0.12985E-03 ppm1 1.912 ppm2 5.049 CV 1 ASSI { 1994} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 88 and name HE% ) 6.000 6.000 0.000 peak 1994 spectrum 1 weight 0.11000E+01 volume 0.27319E-04 ppm1 0.759 ppm2 7.190 CV 1 ASSI { 1995} (( segid " " and resid 95 and name HA )) ( segid " " and resid 99 and name HD2%) 6.000 6.000 0.000 peak 1995 spectrum 1 weight 0.11000E+01 volume 0.21611E-03 ppm1 4.284 ppm2 0.779 CV 1 ASSI { 1999} (( segid " " and resid 95 and name HB )) (( segid " " and resid 99 and name HB2 )) 3.800 1.800 1.800 peak 1999 spectrum 1 weight 0.11000E+01 volume 0.16632E-02 ppm1 1.819 ppm2 1.378 CV 1 OR { 1999} (( segid " " and resid 95 and name HB )) (( segid " " and resid 99 and name HG )) ASSI { 2000} (( segid " " and resid 95 and name HB )) (( segid " " and resid 94 and name HB1 )) 5.000 3.200 1.000 peak 2000 spectrum 1 weight 0.11000E+01 volume 0.47073E-03 ppm1 1.801 ppm2 2.786 CV 1 ASSI { 2003} (( segid " " and resid 95 and name HB )) (( segid " " and resid 88 and name HB2 )) 6.000 6.000 0.000 peak 2003 spectrum 1 weight 0.11000E+01 volume 0.10992E-03 ppm1 1.811 ppm2 3.183 CV 1 OR { 2003} (( segid " " and resid 95 and name HB )) (( segid " " and resid 88 and name HB1 )) ASSI { 2006} (( segid " " and resid 95 and name HB )) ( segid " " and resid 88 and name HD% ) 6.000 6.000 0.000 peak 2006 spectrum 1 weight 0.11000E+01 volume 0.81784E-04 ppm1 1.808 ppm2 6.949 CV 1 ASSI { 2014} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 88 and name HB2 )) 4.300 2.300 1.700 peak 2014 spectrum 1 weight 0.11000E+01 volume 0.52297E-03 ppm1 0.091 ppm2 3.153 CV 1 OR { 2014} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 88 and name HB1 )) ASSI { 2023} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 96 and name HG12)) 6.000 5.600 0.000 peak 2023 spectrum 1 weight 0.11000E+01 volume 0.85145E-04 ppm1 0.307 ppm2 1.165 CV 1 ASSI { 2024} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 99 and name HB2 )) 5.900 4.400 0.100 peak 2024 spectrum 1 weight 0.11000E+01 volume 0.28686E-03 ppm1 0.318 ppm2 1.309 CV 1 ASSI { 2025} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 99 and name HG )) 4.900 3.000 1.100 peak 2025 spectrum 1 weight 0.11000E+01 volume 0.30670E-03 ppm1 0.315 ppm2 1.382 CV 1 ASSI { 2026} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 99 and name HB1 )) 5.000 3.100 1.000 peak 2026 spectrum 1 weight 0.11000E+01 volume 0.27071E-03 ppm1 0.321 ppm2 1.499 CV 1 ASSI { 2027} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 86 and name HG )) 5.000 3.100 1.000 peak 2027 spectrum 1 weight 0.11000E+01 volume 0.27758E-03 ppm1 0.326 ppm2 1.602 CV 1 ASSI { 2028} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 100 and name HB2 )) 6.000 5.500 0.000 peak 2028 spectrum 1 weight 0.11000E+01 volume 0.11324E-03 ppm1 0.325 ppm2 2.407 CV 1 ASSI { 2031} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 88 and name HB1 )) 3.100 1.200 1.200 peak 2031 spectrum 1 weight 0.11000E+01 volume 0.13474E-02 ppm1 0.323 ppm2 3.150 CV 1 OR { 2031} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 88 and name HB2 )) ASSI { 2032} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 100 and name HA )) 5.200 3.400 0.800 peak 2032 spectrum 1 weight 0.11000E+01 volume 0.41339E-03 ppm1 0.326 ppm2 4.642 CV 1 ASSI { 2033} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 88 and name HA )) 2.500 2.500 3.500 peak 2033 spectrum 1 weight 0.11000E+01 volume 0.35411E-03 ppm1 0.327 ppm2 4.977 CV 1 ASSI { 2034} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 88 and name HZ )) 5.700 4.100 0.300 peak 2034 spectrum 1 weight 0.11000E+01 volume 0.11448E-03 ppm1 0.322 ppm2 6.859 CV 1 ASSI { 2036} ( segid " " and resid 95 and name HG1%) ( segid " " and resid 88 and name HE% ) 4.400 2.400 1.600 peak 2036 spectrum 1 weight 0.11000E+01 volume 0.47677E-03 ppm1 0.320 ppm2 7.179 CV 1 ASSI { 2045} (( segid " " and resid 95 and name HA )) (( segid " " and resid 100 and name HB2 )) 6.000 6.000 0.000 peak 2045 spectrum 1 weight 0.11000E+01 volume 0.93624E-04 ppm1 4.268 ppm2 2.407 CV 1 ASSI { 2046} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 93 and name HA )) 4.100 2.100 1.900 peak 2046 spectrum 1 weight 0.11000E+01 volume 0.17590E-03 ppm1 2.404 ppm2 4.273 CV 1 ASSI { 2048} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 100 and name HB1 )) 6.000 6.000 0.000 peak 2048 spectrum 1 weight 0.11000E+01 volume 0.71765E-04 ppm1 0.318 ppm2 2.581 CV 1 ASSI { 2049} (( segid " " and resid 95 and name HB )) (( segid " " and resid 100 and name HB1 )) 6.000 6.000 0.000 peak 2049 spectrum 1 weight 0.11000E+01 volume 0.27041E-04 ppm1 1.813 ppm2 2.590 CV 1 ASSI { 2057} (( segid " " and resid 99 and name HA )) ( segid " " and resid 95 and name HG2%) 5.800 4.200 0.200 peak 2057 spectrum 1 weight 0.11000E+01 volume 0.17545E-03 ppm1 4.186 ppm2 0.093 CV 1 ASSI { 2058} (( segid " " and resid 95 and name HB )) (( segid " " and resid 99 and name HA )) 6.000 6.000 0.000 peak 2058 spectrum 1 weight 0.11000E+01 volume 0.43996E-04 ppm1 1.827 ppm2 4.194 CV 1 ASSI { 2064} (( segid " " and resid 103 and name HA )) ( segid " " and resid 99 and name HD2%) 6.000 6.000 0.000 peak 2064 spectrum 1 weight 0.11000E+01 volume 0.20363E-03 ppm1 3.974 ppm2 0.774 CV 1 ASSI { 2065} (( segid " " and resid 103 and name HA )) ( segid " " and resid 114 and name HG2%) 6.000 6.000 0.000 peak 2065 spectrum 1 weight 0.11000E+01 volume 0.12054E-03 ppm1 3.968 ppm2 0.889 CV 1 ASSI { 2066} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HB2 )) 5.900 5.900 0.100 peak 2066 spectrum 1 weight 0.11000E+01 volume 0.20076E-03 ppm1 3.959 ppm2 1.866 CV 1 ASSI { 2067} (( segid " " and resid 103 and name HA )) ( segid " " and resid 106 and name HE% ) 4.900 3.000 1.100 peak 2067 spectrum 1 weight 0.11000E+01 volume 0.17871E-03 ppm1 3.970 ppm2 1.970 CV 1 ASSI { 2068} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HG1 )) 6.000 4.700 0.000 peak 2068 spectrum 1 weight 0.11000E+01 volume 0.23285E-03 ppm1 3.966 ppm2 2.117 CV 1 ASSI { 2075} (( segid " " and resid 103 and name HB )) (( segid " " and resid 99 and name HG )) 5.200 3.400 0.800 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.23069E-03 ppm1 2.312 ppm2 1.414 CV 1 ASSI { 2076} (( segid " " and resid 103 and name HB )) (( segid " " and resid 104 and name HB2 )) 6.000 5.000 0.000 peak 2076 spectrum 1 weight 0.11000E+01 volume 0.25614E-03 ppm1 2.312 ppm2 1.651 CV 1 ASSI { 2077} (( segid " " and resid 103 and name HB )) (( segid " " and resid 105 and name HB2 )) 5.600 5.600 0.400 peak 2077 spectrum 1 weight 0.11000E+01 volume 0.19483E-03 ppm1 2.312 ppm2 1.696 CV 1 ASSI { 2078} (( segid " " and resid 103 and name HB )) (( segid " " and resid 104 and name HG2 )) 5.300 3.500 0.700 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.42461E-03 ppm1 2.279 ppm2 1.805 CV 1 ASSI { 2080} (( segid " " and resid 103 and name HB )) (( segid " " and resid 62 and name HE1 )) 5.800 4.200 0.200 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.31123E-03 ppm1 2.322 ppm2 3.029 CV 1 OR { 2080} (( segid " " and resid 103 and name HB )) (( segid " " and resid 62 and name HE2 )) ASSI { 2081} (( segid " " and resid 103 and name HB )) (( segid " " and resid 104 and name HD2 )) 4.000 2.000 2.000 peak 2081 spectrum 1 weight 0.11000E+01 volume 0.22215E-03 ppm1 2.304 ppm2 3.133 CV 1 ASSI { 2083} (( segid " " and resid 103 and name HB )) (( segid " " and resid 90 and name HA )) 6.000 4.500 0.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.28228E-03 ppm1 2.318 ppm2 4.378 CV 1 ASSI { 2085} (( segid " " and resid 103 and name HB )) ( segid " " and resid 88 and name HE% ) 5.700 4.100 0.300 peak 2085 spectrum 1 weight 0.11000E+01 volume 0.16960E-03 ppm1 2.307 ppm2 7.178 CV 1 ASSI { 2086} (( segid " " and resid 103 and name HB )) (( segid " " and resid 106 and name HN )) 5.800 4.200 0.200 peak 2086 spectrum 1 weight 0.11000E+01 volume 0.10927E-03 ppm1 2.307 ppm2 7.897 CV 1 ASSI { 2088} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 144 and name HD1%) 3.100 3.100 2.900 peak 2088 spectrum 1 weight 0.11000E+01 volume 0.25798E-02 ppm1 1.323 ppm2 0.888 CV 1 ASSI { 2091} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 106 and name HE% ) 4.300 2.300 1.700 peak 2091 spectrum 1 weight 0.11000E+01 volume 0.57384E-03 ppm1 1.307 ppm2 1.971 CV 1 ASSI { 2092} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 104 and name HB1 )) 6.000 6.000 0.000 peak 2092 spectrum 1 weight 0.11000E+01 volume 0.12691E-03 ppm1 1.312 ppm2 2.469 CV 1 ASSI { 2093} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 104 and name HD2 )) 6.000 4.700 0.000 peak 2093 spectrum 1 weight 0.11000E+01 volume 0.14503E-03 ppm1 1.297 ppm2 3.133 CV 1 ASSI { 2094} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 104 and name HD1 )) 4.100 2.100 1.900 peak 2094 spectrum 1 weight 0.11000E+01 volume 0.50809E-03 ppm1 1.316 ppm2 3.628 CV 1 ASSI { 2098} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 88 and name HD% ) 5.400 3.600 0.600 peak 2098 spectrum 1 weight 0.11000E+01 volume 0.25906E-03 ppm1 1.304 ppm2 6.964 CV 1 ASSI { 2102} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 99 and name HD2%) 3.600 1.600 1.600 peak 2102 spectrum 1 weight 0.11000E+01 volume 0.31289E-02 ppm1 1.027 ppm2 0.758 CV 1 ASSI { 2103} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 105 and name HB2 )) 3.500 3.500 2.500 peak 2103 spectrum 1 weight 0.11000E+01 volume 0.31799E-02 ppm1 1.011 ppm2 1.717 CV 1 ASSI { 2108} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 88 and name HZ )) 3.300 1.400 1.400 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.45333E-03 ppm1 1.037 ppm2 6.852 CV 1 ASSI { 2109} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 88 and name HD% ) 2.900 2.900 3.100 peak 2109 spectrum 1 weight 0.11000E+01 volume 0.15764E-03 ppm1 1.035 ppm2 6.962 CV 1 ASSI { 2110} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 88 and name HE% ) 4.400 2.400 1.600 peak 2110 spectrum 1 weight 0.11000E+01 volume 0.40796E-03 ppm1 1.036 ppm2 7.177 CV 1 ASSI { 2113} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 103 and name HB )) 5.100 5.100 0.900 peak 2113 spectrum 1 weight 0.11000E+01 volume 0.69363E-03 ppm1 0.736 ppm2 2.306 CV 1 ASSI { 2114} (( segid " " and resid 104 and name HD1 )) ( segid " " and resid 103 and name HG2%) 4.500 2.500 1.500 peak 2114 spectrum 1 weight 0.11000E+01 volume 0.83236E-03 ppm1 3.644 ppm2 1.057 CV 1 ASSI { 2117} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HD1 )) 5.800 4.200 0.200 peak 2117 spectrum 1 weight 0.11000E+01 volume 0.12987E-03 ppm1 3.975 ppm2 3.635 CV 1 ASSI { 2118} (( segid " " and resid 104 and name HD2 )) ( segid " " and resid 103 and name HG2%) 5.100 3.300 0.900 peak 2118 spectrum 1 weight 0.11000E+01 volume 0.37128E-03 ppm1 3.129 ppm2 1.055 CV 1 ASSI { 2122} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HD2 )) 6.000 4.600 0.000 peak 2122 spectrum 1 weight 0.11000E+01 volume 0.70330E-04 ppm1 3.964 ppm2 3.135 CV 1 ASSI { 2124} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 103 and name HG1%) 4.300 2.300 1.700 peak 2124 spectrum 1 weight 0.11000E+01 volume 0.60711E-03 ppm1 2.185 ppm2 1.302 CV 1 ASSI { 2126} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 103 and name HG1%) 6.000 5.100 0.000 peak 2126 spectrum 1 weight 0.11000E+01 volume 0.13400E-03 ppm1 2.133 ppm2 1.297 CV 1 ASSI { 2131} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 103 and name HA )) 5.600 3.900 0.400 peak 2131 spectrum 1 weight 0.11000E+01 volume 0.12668E-03 ppm1 1.704 ppm2 3.951 CV 1 ASSI { 2134} (( segid " " and resid 108 and name HA )) ( segid " " and resid 147 and name HB% ) 6.000 5.000 0.000 peak 2134 spectrum 1 weight 0.11000E+01 volume 0.10439E-03 ppm1 3.335 ppm2 1.133 CV 1 ASSI { 2135} (( segid " " and resid 108 and name HA )) (( segid " " and resid 144 and name HB2 )) 5.600 3.900 0.400 peak 2135 spectrum 1 weight 0.11000E+01 volume 0.34056E-03 ppm1 3.332 ppm2 1.321 CV 1 ASSI { 2136} (( segid " " and resid 108 and name HA )) (( segid " " and resid 144 and name HG )) 3.000 1.100 1.100 peak 2136 spectrum 1 weight 0.11000E+01 volume 0.13705E-02 ppm1 3.336 ppm2 1.459 CV 1 ASSI { 2137} (( segid " " and resid 108 and name HA )) (( segid " " and resid 60 and name HG1 )) 6.000 5.000 0.000 peak 2137 spectrum 1 weight 0.11000E+01 volume 0.11493E-03 ppm1 3.324 ppm2 1.972 CV 1 OR { 2137} (( segid " " and resid 108 and name HA )) (( segid " " and resid 60 and name HB1 )) ASSI { 2138} (( segid " " and resid 108 and name HA )) (( segid " " and resid 144 and name HB1 )) 4.300 2.300 1.700 peak 2138 spectrum 1 weight 0.11000E+01 volume 0.37998E-03 ppm1 3.341 ppm2 2.366 CV 1 ASSI { 2139} (( segid " " and resid 108 and name HA )) (( segid " " and resid 107 and name HB2 )) 6.000 4.700 0.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.96790E-04 ppm1 3.344 ppm2 2.257 CV 1 ASSI { 2141} (( segid " " and resid 108 and name HA )) (( segid " " and resid 58 and name HB2 )) 6.000 4.700 0.000 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.15092E-03 ppm1 3.350 ppm2 3.785 CV 1 ASSI { 2142} (( segid " " and resid 108 and name HA )) (( segid " " and resid 146 and name HA )) 5.700 4.000 0.300 peak 2142 spectrum 1 weight 0.11000E+01 volume 0.10929E-03 ppm1 3.323 ppm2 4.528 CV 1 ASSI { 2143} (( segid " " and resid 108 and name HA )) (( segid " " and resid 144 and name HA )) 6.000 6.000 0.000 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.57399E-04 ppm1 3.338 ppm2 4.687 CV 1 ASSI { 2144} (( segid " " and resid 108 and name HA )) (( segid " " and resid 59 and name HA )) 6.000 5.600 0.000 peak 2144 spectrum 1 weight 0.11000E+01 volume 0.74548E-04 ppm1 3.336 ppm2 5.198 CV 1 ASSI { 2149} (( segid " " and resid 108 and name HB )) ( segid " " and resid 147 and name HB% ) 5.400 3.700 0.600 peak 2149 spectrum 1 weight 0.11000E+01 volume 0.29937E-03 ppm1 2.044 ppm2 1.127 CV 1 ASSI { 2154} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HB2 )) 5.100 3.200 0.900 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.35559E-03 ppm1 2.038 ppm2 2.877 CV 1 OR { 2154} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HB2 )) ASSI { 2156} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 12 and name HD2 )) 4.900 3.000 1.100 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.34679E-03 ppm1 2.048 ppm2 3.682 CV 1 ASSI { 2157} (( segid " " and resid 108 and name HB )) (( segid " " and resid 58 and name HB2 )) 5.300 3.500 0.700 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.16269E-03 ppm1 2.043 ppm2 3.816 CV 1 ASSI { 2160} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 64 and name HE22)) 5.000 3.100 1.000 peak 2160 spectrum 1 weight 0.11000E+01 volume 0.18084E-03 ppm1 2.054 ppm2 7.280 CV 1 ASSI { 2162} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 107 and name HB1 )) 6.000 6.000 0.000 peak 2162 spectrum 1 weight 0.11000E+01 volume 0.12891E-03 ppm1 0.935 ppm2 2.574 CV 1 ASSI { 2163} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 109 and name HA2 )) 4.500 2.600 1.500 peak 2163 spectrum 1 weight 0.11000E+01 volume 0.50216E-03 ppm1 0.949 ppm2 3.740 CV 1 ASSI { 2164} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 57 and name HB2 )) 2.500 2.500 3.500 peak 2164 spectrum 1 weight 0.11000E+01 volume 0.40072E-03 ppm1 0.957 ppm2 4.018 CV 1 ASSI { 2165} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 101 and name HD1%) 2.700 2.700 3.300 peak 2165 spectrum 1 weight 0.11000E+01 volume 0.73495E-02 ppm1 0.834 ppm2 0.687 CV 1 ASSI { 2167} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 147 and name HB% ) 3.000 3.000 3.000 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.22028E-02 ppm1 0.844 ppm2 1.167 CV 1 ASSI { 2169} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 45 and name HB1 )) 3.000 3.000 3.000 peak 2169 spectrum 1 weight 0.11000E+01 volume 0.43851E-02 ppm1 0.859 ppm2 1.734 CV 1 ASSI { 2170} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 60 and name HG1 )) 3.300 1.400 1.400 peak 2170 spectrum 1 weight 0.11000E+01 volume 0.28564E-02 ppm1 0.843 ppm2 1.969 CV 1 OR { 2170} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 60 and name HB1 )) ASSI { 2172} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 107 and name HB1 )) 5.600 5.600 0.400 peak 2172 spectrum 1 weight 0.11000E+01 volume 0.32545E-03 ppm1 0.840 ppm2 2.574 CV 1 ASSI { 2173} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 109 and name HA2 )) 6.000 5.200 0.000 peak 2173 spectrum 1 weight 0.11000E+01 volume 0.16945E-03 ppm1 0.841 ppm2 3.732 CV 1 ASSI { 2174} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 57 and name HB1 )) 4.600 2.600 1.400 peak 2174 spectrum 1 weight 0.11000E+01 volume 0.97230E-03 ppm1 0.855 ppm2 4.061 CV 1 ASSI { 2177} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 146 and name HA )) 3.800 1.800 1.800 peak 2177 spectrum 1 weight 0.11000E+01 volume 0.81153E-03 ppm1 0.850 ppm2 4.523 CV 1 ASSI { 2178} ( segid " " and resid 144 and name HD2%) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 2178 spectrum 1 weight 0.11000E+01 volume 0.48426E-03 ppm1 0.893 ppm2 3.341 CV 1 ASSI { 2182} ( segid " " and resid 108 and name HG1%) ( segid " " and resid 146 and name HG2%) 3.500 3.500 2.500 peak 2182 spectrum 1 weight 0.11000E+01 volume 0.31506E-02 ppm1 0.947 ppm2 1.126 CV 1 ASSI { 2183} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 144 and name HB1 )) 5.300 3.500 0.700 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.38169E-03 ppm1 0.944 ppm2 2.367 CV 1 ASSI { 2187} (( segid " " and resid 108 and name HB )) (( segid " " and resid 59 and name HA )) 5.100 5.100 0.900 peak 2187 spectrum 1 weight 0.11000E+01 volume 0.36768E-03 ppm1 2.029 ppm2 5.230 CV 1 ASSI { 2188} (( segid " " and resid 114 and name HA )) ( segid " " and resid 140 and name HD2%) 6.000 6.000 0.000 peak 2188 spectrum 1 weight 0.11000E+01 volume 0.57956E-04 ppm1 5.638 ppm2 0.706 CV 1 ASSI { 2189} (( segid " " and resid 114 and name HA )) ( segid " " and resid 115 and name HG2%) 6.000 6.000 0.000 peak 2189 spectrum 1 weight 0.11000E+01 volume 0.18022E-03 ppm1 5.619 ppm2 1.121 CV 1 ASSI { 2191} (( segid " " and resid 114 and name HA )) (( segid " " and resid 47 and name HB2 )) 4.900 3.000 1.100 peak 2191 spectrum 1 weight 0.11000E+01 volume 0.29616E-03 ppm1 5.614 ppm2 1.800 CV 1 ASSI { 2193} (( segid " " and resid 114 and name HA )) (( segid " " and resid 47 and name HE1 )) 3.300 3.300 2.700 peak 2193 spectrum 1 weight 0.11000E+01 volume 0.73328E-04 ppm1 5.619 ppm2 2.575 CV 1 OR { 2193} (( segid " " and resid 114 and name HA )) (( segid " " and resid 47 and name HE2 )) ASSI { 2195} (( segid " " and resid 114 and name HA )) (( segid " " and resid 102 and name HB1 )) 6.000 6.000 0.000 peak 2195 spectrum 1 weight 0.11000E+01 volume 0.53460E-04 ppm1 5.603 ppm2 3.616 CV 1 ASSI { 2196} (( segid " " and resid 114 and name HA )) (( segid " " and resid 48 and name HA )) 2.700 2.700 3.300 peak 2196 spectrum 1 weight 0.11000E+01 volume 0.21476E-03 ppm1 5.617 ppm2 4.653 CV 1 ASSI { 2198} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HA )) 5.800 5.800 0.200 peak 2198 spectrum 1 weight 0.11000E+01 volume 0.98008E-04 ppm1 5.635 ppm2 5.089 CV 1 ASSI { 2200} (( segid " " and resid 114 and name HA )) (( segid " " and resid 36 and name HZ3 )) 3.400 1.400 1.400 peak 2200 spectrum 1 weight 0.11000E+01 volume 0.52231E-03 ppm1 5.617 ppm2 7.016 CV 1 ASSI { 2202} (( segid " " and resid 114 and name HA )) (( segid " " and resid 36 and name HZ2 )) 6.000 6.000 0.000 peak 2202 spectrum 1 weight 0.11000E+01 volume 0.48642E-04 ppm1 5.614 ppm2 7.473 CV 1 ASSI { 2204} (( segid " " and resid 114 and name HB )) ( segid " " and resid 140 and name HD2%) 4.100 2.100 1.900 peak 2204 spectrum 1 weight 0.11000E+01 volume 0.78997E-03 ppm1 2.044 ppm2 0.709 CV 1 ASSI { 2205} (( segid " " and resid 114 and name HB )) ( segid " " and resid 115 and name HG2%) 5.400 5.400 0.600 peak 2205 spectrum 1 weight 0.11000E+01 volume 0.27241E-03 ppm1 2.035 ppm2 1.126 CV 1 ASSI { 2207} (( segid " " and resid 114 and name HB )) (( segid " " and resid 140 and name HG )) 4.000 2.000 2.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.29453E-03 ppm1 2.037 ppm2 1.686 CV 1 ASSI { 2210} (( segid " " and resid 114 and name HB )) (( segid " " and resid 140 and name HA )) 6.000 4.900 0.000 peak 2210 spectrum 1 weight 0.11000E+01 volume 0.13376E-03 ppm1 2.064 ppm2 5.296 CV 1 ASSI { 2212} (( segid " " and resid 114 and name HB )) (( segid " " and resid 36 and name HZ3 )) 5.700 5.700 0.300 peak 2212 spectrum 1 weight 0.11000E+01 volume 0.23908E-03 ppm1 2.053 ppm2 7.018 CV 1 ASSI { 2214} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 47 and name HD2 )) 4.700 4.700 1.300 peak 2214 spectrum 1 weight 0.11000E+01 volume 0.14601E-02 ppm1 0.915 ppm2 1.446 CV 1 ASSI { 2216} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 47 and name HB2 )) 3.000 1.100 1.100 peak 2216 spectrum 1 weight 0.11000E+01 volume 0.14419E-02 ppm1 0.921 ppm2 1.775 CV 1 ASSI { 2217} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 102 and name HB2 )) 3.700 1.700 1.700 peak 2217 spectrum 1 weight 0.11000E+01 volume 0.79704E-03 ppm1 0.926 ppm2 3.545 CV 1 ASSI { 2218} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 102 and name HB1 )) 3.400 3.400 2.600 peak 2218 spectrum 1 weight 0.11000E+01 volume 0.13168E-02 ppm1 0.919 ppm2 3.628 CV 1 ASSI { 2220} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 36 and name HZ3 )) 5.700 5.700 0.300 peak 2220 spectrum 1 weight 0.11000E+01 volume 0.23067E-03 ppm1 0.932 ppm2 7.019 CV 1 ASSI { 2221} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 36 and name HE3 )) 6.000 4.800 0.000 peak 2221 spectrum 1 weight 0.11000E+01 volume 0.88379E-04 ppm1 0.910 ppm2 7.227 CV 1 ASSI { 2223} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 140 and name HB2 )) 3.500 3.500 2.500 peak 2223 spectrum 1 weight 0.11000E+01 volume 0.38652E-02 ppm1 0.854 ppm2 1.305 CV 1 ASSI { 2225} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 47 and name HB2 )) 2.600 2.600 3.400 peak 2225 spectrum 1 weight 0.11000E+01 volume 0.36552E-02 ppm1 0.860 ppm2 1.732 CV 1 ASSI { 2233} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 36 and name HE3 )) 6.000 6.000 0.000 peak 2233 spectrum 1 weight 0.11000E+01 volume 0.10968E-03 ppm1 0.860 ppm2 7.189 CV 1 ASSI { 2235} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 140 and name HD2%) 4.200 4.200 1.800 peak 2235 spectrum 1 weight 0.11000E+01 volume 0.12531E-02 ppm1 0.912 ppm2 0.707 CV 1 ASSI { 2237} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 114 and name HA )) 5.300 3.500 0.700 peak 2237 spectrum 1 weight 0.11000E+01 volume 0.27044E-03 ppm1 1.793 ppm2 5.619 CV 1 OR { 2237} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 114 and name HA )) ASSI { 2239} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 114 and name HG1%) 4.000 2.000 2.000 peak 2239 spectrum 1 weight 0.11000E+01 volume 0.51903E-03 ppm1 3.575 ppm2 0.932 CV 1 OR { 2239} (( segid " " and resid 102 and name HB1 )) ( segid " " and resid 114 and name HG1%) ASSI { 2241} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 102 and name HB2 )) 3.500 1.500 1.500 peak 2241 spectrum 1 weight 0.11000E+01 volume 0.49027E-03 ppm1 0.869 ppm2 3.545 CV 1 ASSI { 2242} (( segid " " and resid 114 and name HB )) (( segid " " and resid 102 and name HB1 )) 5.900 4.400 0.100 peak 2242 spectrum 1 weight 0.11000E+01 volume 0.12518E-03 ppm1 2.059 ppm2 3.630 CV 1 ASSI { 2244} (( segid " " and resid 114 and name HB )) (( segid " " and resid 47 and name HA )) 6.000 5.300 0.000 peak 2244 spectrum 1 weight 0.11000E+01 volume 0.89278E-04 ppm1 2.030 ppm2 5.959 CV 1 ASSI { 2249} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 36 and name HZ3 )) 6.000 6.000 0.000 peak 2249 spectrum 1 weight 0.11000E+01 volume 0.12146E-03 ppm1 0.913 ppm2 7.016 CV 1 ASSI { 2250} (( segid " " and resid 114 and name HB )) (( segid " " and resid 36 and name HE3 )) 6.000 6.000 0.000 peak 2250 spectrum 1 weight 0.11000E+01 volume 0.61852E-04 ppm1 2.005 ppm2 7.219 CV 1 ASSI { 2252} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 47 and name HE1 )) 2.500 2.500 3.500 peak 2252 spectrum 1 weight 0.11000E+01 volume 0.38764E-03 ppm1 0.918 ppm2 2.552 CV 1 OR { 2252} ( segid " " and resid 114 and name HG1%) (( segid " " and resid 47 and name HE2 )) ASSI { 2253} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 47 and name HE1 )) 3.400 3.400 2.600 peak 2253 spectrum 1 weight 0.11000E+01 volume 0.62066E-04 ppm1 0.836 ppm2 2.567 CV 1 OR { 2253} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 47 and name HE2 )) ASSI { 2254} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 115 and name HG2%) 3.700 3.700 2.300 peak 2254 spectrum 1 weight 0.11000E+01 volume 0.41569E-02 ppm1 0.867 ppm2 1.111 CV 1 ASSI { 2255} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 114 and name HB )) 4.300 2.300 1.700 peak 2255 spectrum 1 weight 0.11000E+01 volume 0.14252E-02 ppm1 1.306 ppm2 2.051 CV 1 ASSI { 2261} (( segid " " and resid 142 and name HA )) (( segid " " and resid 143 and name HA )) 5.700 4.100 0.300 peak 2261 spectrum 1 weight 0.11000E+01 volume 0.13186E-03 ppm1 5.056 ppm2 5.617 CV 1 ASSI { 2270} (( segid " " and resid 142 and name HB )) ( segid " " and resid 112 and name HB% ) 4.600 4.600 1.400 peak 2270 spectrum 1 weight 0.11000E+01 volume 0.66836E-03 ppm1 1.961 ppm2 1.541 CV 1 ASSI { 2273} (( segid " " and resid 142 and name HB )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 2273 spectrum 1 weight 0.11000E+01 volume 0.26486E-03 ppm1 1.948 ppm2 5.231 CV 1 ASSI { 2274} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 36 and name HH2 )) 5.500 3.700 0.500 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.31367E-03 ppm1 2.016 ppm2 7.017 CV 1 ASSI { 2278} ( segid " " and resid 148 and name HG1%) ( segid " " and resid 65 and name HG2%) 3.200 3.200 2.800 peak 2278 spectrum 1 weight 0.11000E+01 volume 0.47892E-02 ppm1 0.910 ppm2 0.463 CV 1 ASSI { 2279} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 62 and name HB2 )) 3.100 1.200 1.200 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.39143E-02 ppm1 0.910 ppm2 1.742 CV 1 OR { 2279} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 62 and name HD1 )) ASSI { 2284} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 144 and name HA )) 3.400 3.400 2.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.21858E-02 ppm1 0.887 ppm2 4.672 CV 1 OR { 2284} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 144 and name HA )) ASSI { 2286} ( segid " " and resid 138 and name HD2%) ( segid " " and resid 132 and name HD1%) 2.500 2.500 3.500 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.67375E-02 ppm1 0.861 ppm2 0.465 CV 1 ASSI { 2288} ( segid " " and resid 150 and name HD2%) (( segid " " and resid 150 and name HB2 )) 3.100 1.200 1.200 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.29929E-02 ppm1 0.839 ppm2 1.581 CV 1 OR { 2288} ( segid " " and resid 150 and name HD2%) (( segid " " and resid 150 and name HB1 )) ASSI { 2290} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 68 and name HB )) 3.900 1.900 1.900 peak 2290 spectrum 1 weight 0.11000E+01 volume 0.23614E-02 ppm1 0.855 ppm2 2.230 CV 1 ASSI { 2291} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 144 and name HA )) 3.100 3.100 2.900 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.18125E-02 ppm1 0.860 ppm2 4.666 CV 1 ASSI { 2293} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 70 and name HA )) 4.100 4.100 1.900 peak 2293 spectrum 1 weight 0.11000E+01 volume 0.16409E-02 ppm1 0.849 ppm2 5.374 CV 1 ASSI { 2301} (( segid " " and resid 142 and name HA )) (( segid " " and resid 141 and name HA )) 6.000 4.500 0.000 peak 2301 spectrum 1 weight 0.11000E+01 volume 0.70180E-04 ppm1 5.093 ppm2 5.227 CV 1 ASSI { 2305} (( segid " " and resid 148 and name HA )) ( segid " " and resid 148 and name HG2%) 6.000 6.000 0.000 peak 2305 spectrum 1 weight 0.11000E+01 volume 0.36418E-04 ppm1 4.585 ppm2 0.786 CV 1 ASSI { 2313} (( segid " " and resid 148 and name HB )) (( segid " " and resid 149 and name HB2 )) 4.500 2.500 1.500 peak 2313 spectrum 1 weight 0.11000E+01 volume 0.96705E-03 ppm1 2.124 ppm2 2.490 CV 1 ASSI { 2315} (( segid " " and resid 148 and name HB )) (( segid " " and resid 150 and name HA )) 4.100 2.100 1.900 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.79750E-03 ppm1 2.111 ppm2 4.154 CV 1 ASSI { 2317} ( segid " " and resid 148 and name HG2%) ( segid " " and resid 65 and name HG2%) 2.900 2.900 3.100 peak 2317 spectrum 1 weight 0.11000E+01 volume 0.36218E-02 ppm1 0.835 ppm2 0.461 CV 1 ASSI { 2318} ( segid " " and resid 80 and name HG2%) ( segid " " and resid 74 and name HD1%) 3.900 3.900 2.100 peak 2318 spectrum 1 weight 0.11000E+01 volume 0.18963E-02 ppm1 0.821 ppm2 1.178 CV 1 ASSI { 2319} ( segid " " and resid 148 and name HG2%) (( segid " " and resid 65 and name HB )) 1.700 1.700 4.300 peak 2319 spectrum 1 weight 0.11000E+01 volume 0.40082E-02 ppm1 0.838 ppm2 1.734 CV 1 ASSI { 2323} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 73 and name HB2 )) 6.000 6.000 0.000 peak 2323 spectrum 1 weight 0.11000E+01 volume 0.20990E-03 ppm1 0.836 ppm2 3.745 CV 1 OR { 2323} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 73 and name HB1 )) ASSI { 2331} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 117 and name HB2 )) 5.600 3.900 0.400 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.14288E-03 ppm1 1.933 ppm2 2.486 CV 1 ASSI { 2332} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 117 and name HB2 )) 6.000 4.800 0.000 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.11478E-03 ppm1 1.731 ppm2 2.489 CV 1 ASSI { 2335} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 47 and name HE1 )) 5.000 3.100 1.000 peak 2335 spectrum 1 weight 0.11000E+01 volume 0.10864E-03 ppm1 1.916 ppm2 2.585 CV 1 OR { 2335} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 47 and name HE2 )) ASSI { 2336} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 47 and name HE1 )) 5.700 4.100 0.300 peak 2336 spectrum 1 weight 0.11000E+01 volume 0.83497E-04 ppm1 1.715 ppm2 2.597 CV 1 OR { 2336} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 47 and name HE2 )) ASSI { 2337} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HA )) 5.000 3.100 1.000 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.21091E-03 ppm1 1.929 ppm2 4.802 CV 1 ASSI { 2341} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 47 and name HA )) 5.800 4.100 0.200 peak 2341 spectrum 1 weight 0.11000E+01 volume 0.89363E-04 ppm1 1.927 ppm2 5.939 CV 1 ASSI { 2342} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 46 and name HA )) 6.000 6.000 0.000 peak 2342 spectrum 1 weight 0.11000E+01 volume 0.48579E-04 ppm1 1.719 ppm2 5.945 CV 1 ASSI { 2355} (( segid " " and resid 37 and name HG )) (( segid " " and resid 39 and name HA )) 3.800 1.800 1.800 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.54947E-03 ppm1 1.492 ppm2 3.470 CV 1 ASSI { 2356} (( segid " " and resid 37 and name HG )) (( segid " " and resid 38 and name HA )) 4.500 2.500 1.500 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.34283E-03 ppm1 1.486 ppm2 4.792 CV 1 ASSI { 2361} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 47 and name HE1 )) 5.100 3.300 0.900 peak 2361 spectrum 1 weight 0.11000E+01 volume 0.38747E-03 ppm1 1.001 ppm2 2.598 CV 1 OR { 2361} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 47 and name HE2 )) ASSI { 2363} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 39 and name HA )) 5.800 5.800 0.200 peak 2363 spectrum 1 weight 0.11000E+01 volume 0.19024E-03 ppm1 0.995 ppm2 3.471 CV 1 ASSI { 2366} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 92 and name HB2 )) 3.700 1.800 1.800 peak 2366 spectrum 1 weight 0.11000E+01 volume 0.49852E-03 ppm1 0.985 ppm2 2.687 CV 1 ASSI { 2370} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HA )) 5.600 4.000 0.400 peak 2370 spectrum 1 weight 0.11000E+01 volume 0.75061E-04 ppm1 1.925 ppm2 3.473 CV 1 ASSI { 2371} (( segid " " and resid 37 and name HG )) (( segid " " and resid 46 and name HA )) 5.800 4.200 0.200 peak 2371 spectrum 1 weight 0.11000E+01 volume 0.13098E-03 ppm1 1.471 ppm2 5.945 CV 1 ASSI { 2372} (( segid " " and resid 40 and name HA )) (( segid " " and resid 45 and name HB1 )) 5.800 4.100 0.200 peak 2372 spectrum 1 weight 0.11000E+01 volume 0.22020E-03 ppm1 4.598 ppm2 1.738 CV 1 ASSI { 2374} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB2 )) 6.000 6.000 0.000 peak 2374 spectrum 1 weight 0.11000E+01 volume 0.19861E-03 ppm1 4.625 ppm2 2.123 CV 1 ASSI { 2375} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB1 )) 6.000 5.000 0.000 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.86516E-04 ppm1 4.612 ppm2 2.304 CV 1 ASSI { 2376} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 5.900 4.400 0.100 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.74248E-04 ppm1 4.622 ppm2 2.368 CV 1 OR { 2376} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) ASSI { 2379} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 45 and name HD2%) 6.000 6.000 0.000 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.75340E-04 ppm1 1.814 ppm2 0.488 CV 1 ASSI { 2381} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 42 and name HB2 )) 6.000 5.000 0.000 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.10431E-03 ppm1 1.806 ppm2 2.782 CV 1 ASSI { 2382} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 42 and name HB1 )) 4.800 2.900 1.200 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.72835E-04 ppm1 1.812 ppm2 3.272 CV 1 ASSI { 2383} (( segid " " and resid 40 and name HG )) ( segid " " and resid 45 and name HD2%) 3.400 1.500 1.500 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.90548E-03 ppm1 1.343 ppm2 0.522 CV 1 ASSI { 2385} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 45 and name HA )) 6.000 4.600 0.000 peak 2385 spectrum 1 weight 0.11000E+01 volume 0.12229E-03 ppm1 1.346 ppm2 5.236 CV 1 ASSI { 2386} (( segid " " and resid 99 and name HG )) (( segid " " and resid 104 and name HD2 )) 5.600 3.900 0.400 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.15165E-03 ppm1 1.356 ppm2 3.129 CV 1 ASSI { 2387} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 43 and name HA2 )) 4.200 2.300 1.800 peak 2387 spectrum 1 weight 0.11000E+01 volume 0.19579E-03 ppm1 1.343 ppm2 3.487 CV 1 OR { 2387} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 43 and name HA2 )) ASSI { 2388} (( segid " " and resid 99 and name HG )) (( segid " " and resid 100 and name HB1 )) 6.000 5.000 0.000 peak 2388 spectrum 1 weight 0.11000E+01 volume 0.99555E-04 ppm1 1.345 ppm2 2.597 CV 1 ASSI { 2389} (( segid " " and resid 40 and name HG )) (( segid " " and resid 45 and name HB1 )) 3.800 1.800 1.800 peak 2389 spectrum 1 weight 0.11000E+01 volume 0.68343E-03 ppm1 1.327 ppm2 1.716 CV 1 ASSI { 2392} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 120 and name HE% ) 3.600 1.600 1.600 peak 2392 spectrum 1 weight 0.11000E+01 volume 0.70039E-03 ppm1 0.833 ppm2 6.703 CV 1 ASSI { 2395} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 101 and name HD1%) 2.600 2.600 3.400 peak 2395 spectrum 1 weight 0.11000E+01 volume 0.52710E-02 ppm1 0.584 ppm2 0.694 CV 1 ASSI { 2402} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 120 and name HE% ) 3.900 1.900 1.900 peak 2402 spectrum 1 weight 0.11000E+01 volume 0.12512E-02 ppm1 0.597 ppm2 6.703 CV 1 ASSI { 2403} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 120 and name HD% ) 4.600 2.600 1.400 peak 2403 spectrum 1 weight 0.11000E+01 volume 0.48240E-03 ppm1 0.600 ppm2 6.934 CV 1 ASSI { 2411} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 119 and name HD2 )) 4.300 4.300 1.700 peak 2411 spectrum 1 weight 0.11000E+01 volume 0.79554E-03 ppm1 1.927 ppm2 1.417 CV 1 ASSI { 2423} (( segid " " and resid 44 and name HB1 )) ( segid " " and resid 120 and name HD% ) 6.000 6.000 0.000 peak 2423 spectrum 1 weight 0.11000E+01 volume 0.24869E-03 ppm1 1.972 ppm2 6.934 CV 1 ASSI { 2425} (( segid " " and resid 44 and name HG )) (( segid " " and resid 44 and name HB1 )) 2.900 1.000 1.000 peak 2425 spectrum 1 weight 0.11000E+01 volume 0.23122E-02 ppm1 1.583 ppm2 1.943 CV 1 ASSI { 2433} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 119 and name HE1 )) 4.400 4.400 1.600 peak 2433 spectrum 1 weight 0.11000E+01 volume 0.87462E-03 ppm1 0.945 ppm2 2.767 CV 1 OR { 2433} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 119 and name HE2 )) ASSI { 2434} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 43 and name HA2 )) 4.400 4.400 1.600 peak 2434 spectrum 1 weight 0.11000E+01 volume 0.88100E-03 ppm1 0.969 ppm2 3.472 CV 1 ASSI { 2441} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 42 and name HN )) 5.700 4.100 0.300 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.36940E-03 ppm1 0.960 ppm2 7.103 CV 1 ASSI { 2443} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 119 and name HG2 )) 3.800 3.800 2.200 peak 2443 spectrum 1 weight 0.11000E+01 volume 0.24439E-02 ppm1 0.824 ppm2 0.593 CV 1 ASSI { 2447} ( segid " " and resid 44 and name HD2%) ( segid " " and resid 120 and name HE% ) 3.300 1.300 1.300 peak 2447 spectrum 1 weight 0.11000E+01 volume 0.83585E-03 ppm1 0.831 ppm2 6.704 CV 1 ASSI { 2452} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HB1 )) 5.800 4.300 0.200 peak 2452 spectrum 1 weight 0.11000E+01 volume 0.22365E-03 ppm1 5.202 ppm2 1.915 CV 1 ASSI { 2457} (( segid " " and resid 44 and name HA )) (( segid " " and resid 117 and name HB1 )) 6.000 6.000 0.000 peak 2457 spectrum 1 weight 0.11000E+01 volume 0.61274E-04 ppm1 4.423 ppm2 2.991 CV 1 ASSI { 2459} (( segid " " and resid 44 and name HG )) (( segid " " and resid 117 and name HB2 )) 4.500 2.500 1.500 peak 2459 spectrum 1 weight 0.11000E+01 volume 0.16427E-03 ppm1 1.614 ppm2 2.473 CV 1 ASSI { 2461} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 44 and name HD1%) 5.800 4.100 0.200 peak 2461 spectrum 1 weight 0.11000E+01 volume 0.27509E-03 ppm1 2.481 ppm2 0.953 CV 1 ASSI { 2462} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 119 and name HD2 )) 3.300 3.300 2.700 peak 2462 spectrum 1 weight 0.11000E+01 volume 0.28852E-02 ppm1 0.940 ppm2 1.385 CV 1 ASSI { 2463} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 44 and name HD1%) 2.100 2.100 3.900 peak 2463 spectrum 1 weight 0.11000E+01 volume 0.10501E-02 ppm1 1.393 ppm2 0.960 CV 1 ASSI { 2464} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 119 and name HD2 )) 3.400 1.500 1.500 peak 2464 spectrum 1 weight 0.11000E+01 volume 0.20501E-02 ppm1 0.837 ppm2 1.380 CV 1 ASSI { 2465} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 119 and name HE2 )) 6.000 6.000 0.000 peak 2465 spectrum 1 weight 0.11000E+01 volume 0.22780E-04 ppm1 0.828 ppm2 2.776 CV 1 ASSI { 2466} (( segid " " and resid 119 and name HE1 )) ( segid " " and resid 44 and name HD2%) 5.400 3.700 0.600 peak 2466 spectrum 1 weight 0.11000E+01 volume 0.24803E-03 ppm1 2.765 ppm2 0.834 CV 1 ASSI { 2467} (( segid " " and resid 44 and name HG )) (( segid " " and resid 119 and name HE1 )) 5.700 4.000 0.300 peak 2467 spectrum 1 weight 0.11000E+01 volume 0.67933E-04 ppm1 1.617 ppm2 2.759 CV 1 ASSI { 2468} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 119 and name HG2 )) 6.000 6.000 0.000 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.12938E-03 ppm1 1.978 ppm2 0.592 CV 1 ASSI { 2469} (( segid " " and resid 44 and name HG )) (( segid " " and resid 119 and name HG2 )) 5.900 4.300 0.100 peak 2469 spectrum 1 weight 0.11000E+01 volume 0.12141E-03 ppm1 1.603 ppm2 0.616 CV 1 ASSI { 2472} (( segid " " and resid 45 and name HA )) ( segid " " and resid 120 and name HE% ) 6.000 6.000 0.000 peak 2472 spectrum 1 weight 0.11000E+01 volume 0.65363E-04 ppm1 5.214 ppm2 6.700 CV 1 ASSI { 2473} (( segid " " and resid 45 and name HA )) ( segid " " and resid 120 and name HD% ) 6.000 5.100 0.000 peak 2473 spectrum 1 weight 0.11000E+01 volume 0.98186E-04 ppm1 5.222 ppm2 6.936 CV 1 ASSI { 2476} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 116 and name HA )) 6.000 4.800 0.000 peak 2476 spectrum 1 weight 0.11000E+01 volume 0.16723E-03 ppm1 1.687 ppm2 5.353 CV 1 ASSI { 2478} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 40 and name HD2%) 5.100 3.200 0.900 peak 2478 spectrum 1 weight 0.11000E+01 volume 0.46292E-03 ppm1 0.847 ppm2 0.593 CV 1 ASSI { 2482} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 98 and name HA )) 5.900 4.300 0.100 peak 2482 spectrum 1 weight 0.11000E+01 volume 0.11643E-03 ppm1 0.839 ppm2 3.854 CV 1 ASSI { 2483} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 44 and name HA )) 6.000 6.000 0.000 peak 2483 spectrum 1 weight 0.11000E+01 volume 0.57442E-04 ppm1 0.839 ppm2 4.390 CV 1 ASSI { 2485} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 116 and name HA )) 4.600 2.600 1.400 peak 2485 spectrum 1 weight 0.11000E+01 volume 0.21243E-03 ppm1 0.854 ppm2 5.350 CV 1 ASSI { 2487} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 120 and name HE% ) 5.900 4.400 0.100 peak 2487 spectrum 1 weight 0.11000E+01 volume 0.10441E-03 ppm1 0.833 ppm2 6.708 CV 1 ASSI { 2488} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 120 and name HD% ) 4.500 2.500 1.500 peak 2488 spectrum 1 weight 0.11000E+01 volume 0.18091E-03 ppm1 0.849 ppm2 6.939 CV 1 ASSI { 2490} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 5.700 4.100 0.300 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.69281E-04 ppm1 0.859 ppm2 8.344 CV 1 ASSI { 2500} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 120 and name HB2 )) 5.100 3.200 0.900 peak 2500 spectrum 1 weight 0.11000E+01 volume 0.45816E-03 ppm1 0.812 ppm2 2.552 CV 1 ASSI { 2504} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 38 and name HA )) 3.800 1.800 1.800 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.22243E-02 ppm1 0.782 ppm2 4.762 CV 1 ASSI { 2506} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 120 and name HE% ) 5.800 5.800 0.200 peak 2506 spectrum 1 weight 0.11000E+01 volume 0.19821E-03 ppm1 0.795 ppm2 6.705 CV 1 ASSI { 2507} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 120 and name HD% ) 4.300 2.300 1.700 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.94015E-03 ppm1 0.784 ppm2 6.946 CV 1 ASSI { 2508} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HE )) 4.300 4.300 1.700 peak 2508 spectrum 1 weight 0.11000E+01 volume 0.12538E-02 ppm1 0.764 ppm2 7.178 CV 1 ASSI { 2510} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 39 and name HG12)) 6.000 4.500 0.000 peak 2510 spectrum 1 weight 0.11000E+01 volume 0.24075E-03 ppm1 0.507 ppm2 0.981 CV 1 ASSI { 2511} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 39 and name HB )) 3.200 1.300 1.300 peak 2511 spectrum 1 weight 0.11000E+01 volume 0.22183E-02 ppm1 0.526 ppm2 1.619 CV 1 ASSI { 2512} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 39 and name HG11)) 4.500 2.600 1.500 peak 2512 spectrum 1 weight 0.11000E+01 volume 0.75970E-03 ppm1 0.514 ppm2 1.815 CV 1 ASSI { 2514} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 120 and name HB2 )) 5.700 4.000 0.300 peak 2514 spectrum 1 weight 0.11000E+01 volume 0.16637E-03 ppm1 0.530 ppm2 2.566 CV 1 ASSI { 2515} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 120 and name HB1 )) 4.800 2.900 1.200 peak 2515 spectrum 1 weight 0.11000E+01 volume 0.91953E-04 ppm1 0.512 ppm2 3.265 CV 1 ASSI { 2516} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 39 and name HA )) 6.000 6.000 0.000 peak 2516 spectrum 1 weight 0.11000E+01 volume 0.13263E-03 ppm1 0.509 ppm2 3.482 CV 1 ASSI { 2522} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 120 and name HD% ) 4.200 2.200 1.800 peak 2522 spectrum 1 weight 0.11000E+01 volume 0.26308E-03 ppm1 0.518 ppm2 6.933 CV 1 ASSI { 2526} (( segid " " and resid 45 and name HG )) ( segid " " and resid 120 and name HD% ) 6.000 5.700 0.000 peak 2526 spectrum 1 weight 0.11000E+01 volume 0.49927E-04 ppm1 1.274 ppm2 6.945 CV 1 ASSI { 2527} (( segid " " and resid 45 and name HG )) ( segid " " and resid 120 and name HE% ) 6.000 6.000 0.000 peak 2527 spectrum 1 weight 0.11000E+01 volume 0.43141E-04 ppm1 1.258 ppm2 6.725 CV 1 ASSI { 2528} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 120 and name HE% ) 4.700 2.800 1.300 peak 2528 spectrum 1 weight 0.11000E+01 volume 0.23245E-03 ppm1 0.520 ppm2 6.702 CV 1 ASSI { 2532} (( segid " " and resid 116 and name HA )) (( segid " " and resid 45 and name HG )) 6.000 5.800 0.000 peak 2532 spectrum 1 weight 0.11000E+01 volume 0.85745E-04 ppm1 5.333 ppm2 1.287 CV 1 ASSI { 2537} (( segid " " and resid 98 and name HA )) (( segid " " and resid 45 and name HG )) 5.800 4.200 0.200 peak 2537 spectrum 1 weight 0.11000E+01 volume 0.14165E-03 ppm1 3.841 ppm2 1.282 CV 1 ASSI { 2539} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 120 and name HB1 )) 6.000 6.000 0.000 peak 2539 spectrum 1 weight 0.11000E+01 volume 0.30658E-04 ppm1 1.716 ppm2 3.292 CV 1 ASSI { 2544} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 120 and name HB2 )) 4.800 2.900 1.200 peak 2544 spectrum 1 weight 0.11000E+01 volume 0.80200E-04 ppm1 0.840 ppm2 2.552 CV 1 ASSI { 2547} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA )) 5.200 3.400 0.800 peak 2547 spectrum 1 weight 0.11000E+01 volume 0.12649E-03 ppm1 5.212 ppm2 4.376 CV 1 ASSI { 2548} (( segid " " and resid 50 and name HA )) ( segid " " and resid 111 and name HG2%) 6.000 6.000 0.000 peak 2548 spectrum 1 weight 0.11000E+01 volume 0.14706E-03 ppm1 4.459 ppm2 1.205 CV 1 ASSI { 2553} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 111 and name HB )) 4.000 2.000 2.000 peak 2553 spectrum 1 weight 0.11000E+01 volume 0.21270E-03 ppm1 1.465 ppm2 3.783 CV 1 ASSI { 2554} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 88 and name HE% ) 5.600 3.900 0.400 peak 2554 spectrum 1 weight 0.11000E+01 volume 0.10651E-03 ppm1 1.467 ppm2 7.154 CV 1 ASSI { 2560} (( segid " " and resid 50 and name HG )) (( segid " " and resid 113 and name HG2 )) 6.000 6.000 0.000 peak 2560 spectrum 1 weight 0.11000E+01 volume 0.21810E-03 ppm1 1.617 ppm2 2.462 CV 1 ASSI { 2564} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HN )) 6.000 4.800 0.000 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.34919E-04 ppm1 1.596 ppm2 8.022 CV 1 ASSI { 2566} ( segid " " and resid 50 and name HD1%) ( segid " " and resid 111 and name HG2%) 2.600 0.800 0.800 peak 2566 spectrum 1 weight 0.11000E+01 volume 0.44476E-02 ppm1 0.836 ppm2 1.195 CV 1 ASSI { 2568} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 113 and name HB1 )) 3.300 1.400 1.400 peak 2568 spectrum 1 weight 0.11000E+01 volume 0.23496E-02 ppm1 0.837 ppm2 2.025 CV 1 ASSI { 2569} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 110 and name HB1 )) 4.200 4.200 1.800 peak 2569 spectrum 1 weight 0.11000E+01 volume 0.16178E-02 ppm1 0.839 ppm2 2.146 CV 1 ASSI { 2570} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 113 and name HA )) 4.200 2.200 1.800 peak 2570 spectrum 1 weight 0.11000E+01 volume 0.56369E-03 ppm1 0.842 ppm2 5.533 CV 1 ASSI { 2571} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 111 and name HA )) 5.100 3.200 0.900 peak 2571 spectrum 1 weight 0.11000E+01 volume 0.28905E-03 ppm1 0.840 ppm2 5.616 CV 1 ASSI { 2572} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 113 and name HB2 )) 3.700 1.700 1.700 peak 2572 spectrum 1 weight 0.11000E+01 volume 0.12240E-02 ppm1 0.755 ppm2 1.919 CV 1 ASSI { 2573} ( segid " " and resid 86 and name HD2%) (( segid " " and resid 83 and name HG2 )) 4.000 4.000 2.000 peak 2573 spectrum 1 weight 0.11000E+01 volume 0.95412E-03 ppm1 0.750 ppm2 2.147 CV 1 ASSI { 2574} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 48 and name HE2 )) 4.100 2.100 1.900 peak 2574 spectrum 1 weight 0.11000E+01 volume 0.10508E-02 ppm1 0.752 ppm2 2.308 CV 1 ASSI { 2575} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 113 and name HG2 )) 4.800 4.800 1.200 peak 2575 spectrum 1 weight 0.11000E+01 volume 0.75301E-03 ppm1 0.769 ppm2 2.474 CV 1 ASSI { 2576} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 48 and name HA )) 4.800 2.900 1.200 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.64291E-03 ppm1 0.742 ppm2 4.670 CV 1 ASSI { 2577} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 112 and name HA )) 5.100 3.200 0.900 peak 2577 spectrum 1 weight 0.11000E+01 volume 0.55190E-03 ppm1 0.767 ppm2 5.197 CV 1 ASSI { 2578} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 113 and name HA )) 5.700 4.100 0.300 peak 2578 spectrum 1 weight 0.11000E+01 volume 0.22143E-03 ppm1 0.763 ppm2 5.517 CV 1 ASSI { 2581} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 48 and name HE2 )) 5.700 5.700 0.300 peak 2581 spectrum 1 weight 0.11000E+01 volume 0.29900E-03 ppm1 0.863 ppm2 2.310 CV 1 ASSI { 2582} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 50 and name HB2 )) 4.100 2.100 1.900 peak 2582 spectrum 1 weight 0.11000E+01 volume 0.14979E-02 ppm1 1.188 ppm2 1.469 CV 1 ASSI { 2588} (( segid " " and resid 70 and name HA )) ( segid " " and resid 68 and name HG1%) 6.000 6.000 0.000 peak 2588 spectrum 1 weight 0.11000E+01 volume 0.11983E-03 ppm1 5.375 ppm2 1.093 CV 1 ASSI { 2596} (( segid " " and resid 70 and name HA )) (( segid " " and resid 69 and name HD2 )) 4.100 2.100 1.900 peak 2596 spectrum 1 weight 0.11000E+01 volume 0.18614E-03 ppm1 5.373 ppm2 6.918 CV 1 ASSI { 2597} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 68 and name HG1%) 5.700 5.700 0.300 peak 2597 spectrum 1 weight 0.11000E+01 volume 0.19661E-03 ppm1 1.895 ppm2 1.115 CV 1 ASSI { 2598} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 99 and name HB2 )) 4.900 3.000 1.100 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.63424E-03 ppm1 1.872 ppm2 1.358 CV 1 OR { 2598} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 99 and name HG )) ASSI { 2599} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 83 and name HG1 )) 4.400 2.400 1.600 peak 2599 spectrum 1 weight 0.11000E+01 volume 0.46227E-03 ppm1 1.897 ppm2 2.162 CV 1 OR { 2599} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 83 and name HG2 )) ASSI { 2600} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 81 and name HG1 )) 6.000 6.000 0.000 peak 2600 spectrum 1 weight 0.11000E+01 volume 0.16449E-03 ppm1 1.919 ppm2 2.424 CV 1 ASSI { 2602} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 71 and name HA )) 5.800 4.300 0.200 peak 2602 spectrum 1 weight 0.11000E+01 volume 0.15417E-03 ppm1 1.887 ppm2 5.042 CV 1 ASSI { 2608} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 140 and name HD2%) 6.000 6.000 0.000 peak 2608 spectrum 1 weight 0.11000E+01 volume 0.51811E-04 ppm1 1.250 ppm2 0.667 CV 1 ASSI { 2612} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 83 and name HB1 )) 5.700 5.700 0.300 peak 2612 spectrum 1 weight 0.11000E+01 volume 0.18399E-03 ppm1 1.239 ppm2 2.101 CV 1 ASSI { 2613} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 83 and name HG1 )) 6.000 4.500 0.000 peak 2613 spectrum 1 weight 0.11000E+01 volume 0.20309E-03 ppm1 1.235 ppm2 2.194 CV 1 OR { 2613} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 83 and name HG2 )) ASSI { 2614} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 72 and name HB )) 6.000 5.800 0.000 peak 2614 spectrum 1 weight 0.11000E+01 volume 0.74034E-04 ppm1 1.240 ppm2 4.001 CV 1 ASSI { 2617} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HA )) 5.800 4.200 0.200 peak 2617 spectrum 1 weight 0.11000E+01 volume 0.15734E-03 ppm1 1.264 ppm2 5.081 CV 1 ASSI { 2625} (( segid " " and resid 70 and name HG )) (( segid " " and resid 83 and name HG1 )) 5.900 4.300 0.100 peak 2625 spectrum 1 weight 0.11000E+01 volume 0.21600E-03 ppm1 1.475 ppm2 2.188 CV 1 OR { 2625} (( segid " " and resid 70 and name HG )) (( segid " " and resid 83 and name HG2 )) ASSI { 2626} (( segid " " and resid 70 and name HG )) (( segid " " and resid 71 and name HA )) 4.100 2.100 1.900 peak 2626 spectrum 1 weight 0.11000E+01 volume 0.29528E-03 ppm1 1.491 ppm2 5.057 CV 1 ASSI { 2627} (( segid " " and resid 70 and name HG )) (( segid " " and resid 72 and name HA )) 4.800 2.800 1.200 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.17100E-03 ppm1 1.499 ppm2 4.905 CV 1 ASSI { 2632} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 71 and name HA )) 4.000 2.000 2.000 peak 2632 spectrum 1 weight 0.11000E+01 volume 0.18722E-02 ppm1 0.941 ppm2 5.070 CV 1 ASSI { 2634} ( segid " " and resid 70 and name HD2%) ( segid " " and resid 68 and name HG1%) 3.700 3.700 2.300 peak 2634 spectrum 1 weight 0.11000E+01 volume 0.40221E-02 ppm1 0.781 ppm2 1.097 CV 1 ASSI { 2637} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 83 and name HB1 )) 2.900 1.000 1.000 peak 2637 spectrum 1 weight 0.11000E+01 volume 0.22579E-02 ppm1 0.782 ppm2 2.051 CV 1 ASSI { 2638} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 83 and name HG1 )) 3.800 1.800 1.800 peak 2638 spectrum 1 weight 0.11000E+01 volume 0.14199E-02 ppm1 0.789 ppm2 2.184 CV 1 OR { 2638} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 83 and name HG2 )) ASSI { 2643} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 69 and name HD2 )) 4.500 4.500 1.500 peak 2643 spectrum 1 weight 0.11000E+01 volume 0.10821E-02 ppm1 0.781 ppm2 6.961 CV 1 ASSI { 2645} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 69 and name HD2 )) 6.000 6.000 0.000 peak 2645 spectrum 1 weight 0.11000E+01 volume 0.81956E-04 ppm1 1.861 ppm2 6.958 CV 1 ASSI { 2646} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 69 and name HD2 )) 6.000 6.000 0.000 peak 2646 spectrum 1 weight 0.11000E+01 volume 0.37970E-03 ppm1 0.943 ppm2 6.935 CV 1 ASSI { 2647} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 71 and name HA )) 4.000 2.000 2.000 peak 2647 spectrum 1 weight 0.11000E+01 volume 0.58576E-03 ppm1 0.805 ppm2 5.054 CV 1 ASSI { 2651} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 83 and name HG1 )) 5.100 5.100 0.900 peak 2651 spectrum 1 weight 0.11000E+01 volume 0.44041E-03 ppm1 0.937 ppm2 2.189 CV 1 OR { 2651} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 83 and name HG2 )) ASSI { 2653} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 70 and name HG )) 5.100 3.300 0.900 peak 2653 spectrum 1 weight 0.11000E+01 volume 0.21891E-03 ppm1 2.192 ppm2 1.470 CV 1 ASSI { 2654} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 70 and name HA )) 4.800 4.800 1.200 peak 2654 spectrum 1 weight 0.11000E+01 volume 0.17363E-03 ppm1 2.218 ppm2 5.399 CV 1 ASSI { 2655} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 70 and name HA )) 6.000 5.300 0.000 peak 2655 spectrum 1 weight 0.11000E+01 volume 0.21403E-03 ppm1 2.222 ppm2 5.389 CV 1 ASSI { 2656} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 70 and name HA )) 6.000 4.700 0.000 peak 2656 spectrum 1 weight 0.11000E+01 volume 0.17154E-03 ppm1 2.103 ppm2 5.383 CV 1 ASSI { 2659} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 72 and name HB )) 4.500 4.500 1.500 peak 2659 spectrum 1 weight 0.11000E+01 volume 0.11784E-02 ppm1 0.980 ppm2 4.065 CV 1 ASSI { 2660} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 140 and name HD2%) 6.000 6.000 0.000 peak 2660 spectrum 1 weight 0.11000E+01 volume 0.47379E-04 ppm1 1.912 ppm2 0.676 CV 1 ASSI { 2661} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 81 and name HG1 )) 6.000 6.000 0.000 peak 2661 spectrum 1 weight 0.11000E+01 volume 0.46630E-04 ppm1 1.241 ppm2 2.422 CV 1 ASSI { 2662} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HG1 )) 6.000 6.000 0.000 peak 2662 spectrum 1 weight 0.11000E+01 volume 0.43783E-04 ppm1 4.731 ppm2 2.271 CV 1 OR { 2662} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HG2 )) ASSI { 2667} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 80 and name HG2%) 4.400 4.400 1.600 peak 2667 spectrum 1 weight 0.11000E+01 volume 0.10672E-02 ppm1 1.957 ppm2 0.749 CV 1 OR { 2667} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 80 and name HG2%) ASSI { 2668} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 138 and name HD1%) 5.000 5.000 1.000 peak 2668 spectrum 1 weight 0.11000E+01 volume 0.38038E-03 ppm1 1.971 ppm2 1.062 CV 1 ASSI { 2669} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 79 and name HG2 )) 4.700 4.700 1.300 peak 2669 spectrum 1 weight 0.11000E+01 volume 0.12210E-02 ppm1 1.954 ppm2 1.601 CV 1 OR { 2669} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 79 and name HG2 )) ASSI { 2671} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HG1 )) 4.900 4.900 1.100 peak 2671 spectrum 1 weight 0.11000E+01 volume 0.30898E-03 ppm1 1.963 ppm2 2.315 CV 1 ASSI { 2675} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 6.000 5.800 0.000 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.92403E-04 ppm1 1.965 ppm2 3.709 CV 1 OR { 2675} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 73 and name HB1 )) ASSI { 2680} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 137 and name HN )) 6.000 6.000 0.000 peak 2680 spectrum 1 weight 0.11000E+01 volume 0.73092E-04 ppm1 1.964 ppm2 8.367 CV 1 ASSI { 2685} (( segid " " and resid 74 and name HG )) (( segid " " and resid 78 and name HB )) 3.400 1.400 1.400 peak 2685 spectrum 1 weight 0.11000E+01 volume 0.76880E-03 ppm1 1.740 ppm2 4.062 CV 1 ASSI { 2688} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.500 1.500 1.500 peak 2688 spectrum 1 weight 0.11000E+01 volume 0.34148E-03 ppm1 1.695 ppm2 5.540 CV 1 ASSI { 2691} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 132 and name HD1%) 3.700 1.700 1.700 peak 2691 spectrum 1 weight 0.11000E+01 volume 0.16673E-02 ppm1 1.178 ppm2 0.457 CV 1 ASSI { 2694} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 71 and name HB2 )) 5.300 5.300 0.700 peak 2694 spectrum 1 weight 0.11000E+01 volume 0.27406E-03 ppm1 1.180 ppm2 2.092 CV 1 ASSI { 2695} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 71 and name HA )) 6.000 6.000 0.000 peak 2695 spectrum 1 weight 0.11000E+01 volume 0.13091E-03 ppm1 1.175 ppm2 5.039 CV 1 ASSI { 2696} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 138 and name HA )) 5.200 5.200 0.800 peak 2696 spectrum 1 weight 0.11000E+01 volume 0.49638E-03 ppm1 1.176 ppm2 5.288 CV 1 ASSI { 2697} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 73 and name HA )) 6.000 6.000 0.000 peak 2697 spectrum 1 weight 0.11000E+01 volume 0.25929E-03 ppm1 1.178 ppm2 5.547 CV 1 ASSI { 2698} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 71 and name HE22)) 5.700 5.700 0.300 peak 2698 spectrum 1 weight 0.11000E+01 volume 0.41881E-03 ppm1 1.181 ppm2 6.631 CV 1 ASSI { 2699} ( segid " " and resid 72 and name HG2%) ( segid " " and resid 122 and name HD% ) 6.000 4.600 0.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.14090E-03 ppm1 1.171 ppm2 7.114 CV 1 ASSI { 2702} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 138 and name HB2 )) 3.700 3.700 2.300 peak 2702 spectrum 1 weight 0.11000E+01 volume 0.25910E-02 ppm1 0.837 ppm2 1.378 CV 1 ASSI { 2703} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 79 and name HG2 )) 3.600 3.600 2.400 peak 2703 spectrum 1 weight 0.11000E+01 volume 0.35706E-02 ppm1 0.855 ppm2 1.619 CV 1 ASSI { 2705} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HG1 )) 5.400 5.400 0.600 peak 2705 spectrum 1 weight 0.11000E+01 volume 0.38440E-03 ppm1 0.831 ppm2 2.284 CV 1 OR { 2705} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HG2 )) ASSI { 2706} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 76 and name HB1 )) 4.600 2.600 1.400 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.14337E-02 ppm1 0.848 ppm2 3.338 CV 1 ASSI { 2708} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 81 and name HE22)) 5.300 3.500 0.700 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.26672E-03 ppm1 0.829 ppm2 6.701 CV 1 ASSI { 2709} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 137 and name HN )) 6.000 6.000 0.000 peak 2709 spectrum 1 weight 0.11000E+01 volume 0.51683E-04 ppm1 0.841 ppm2 8.363 CV 1 ASSI { 2710} (( segid " " and resid 78 and name HA )) (( segid " " and resid 74 and name HB1 )) 5.600 3.900 0.400 peak 2710 spectrum 1 weight 0.11000E+01 volume 0.51160E-03 ppm1 4.060 ppm2 1.975 CV 1 ASSI { 2711} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 78 and name HB )) 4.900 3.000 1.100 peak 2711 spectrum 1 weight 0.11000E+01 volume 0.48989E-03 ppm1 0.844 ppm2 4.060 CV 1 ASSI { 2712} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 73 and name HB1 )) 4.400 2.400 1.600 peak 2712 spectrum 1 weight 0.11000E+01 volume 0.29909E-03 ppm1 1.706 ppm2 3.735 CV 1 OR { 2712} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 73 and name HB2 )) OR { 2712} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 73 and name HB2 )) ASSI { 2714} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HG1 )) 6.000 6.000 0.000 peak 2714 spectrum 1 weight 0.11000E+01 volume 0.17474E-03 ppm1 1.751 ppm2 2.286 CV 1 OR { 2714} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HG2 )) ASSI { 2717} (( segid " " and resid 73 and name HA )) ( segid " " and resid 74 and name HD2%) 3.600 1.600 1.600 peak 2717 spectrum 1 weight 0.11000E+01 volume 0.95843E-03 ppm1 5.545 ppm2 0.830 CV 1 ASSI { 2719} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 132 and name HD1%) 6.000 6.000 0.000 peak 2719 spectrum 1 weight 0.11000E+01 volume 0.74291E-04 ppm1 1.958 ppm2 0.459 CV 1 ASSI { 2720} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 74 and name HB2 )) 2.800 2.800 3.200 peak 2720 spectrum 1 weight 0.11000E+01 volume 0.19483E-03 ppm1 0.457 ppm2 1.913 CV 1 ASSI { 2733} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 68 and name HG1%) 5.700 5.700 0.300 peak 2733 spectrum 1 weight 0.11000E+01 volume 0.80619E-03 ppm1 1.287 ppm2 1.094 CV 1 ASSI { 2734} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 68 and name HB )) 5.200 5.200 0.800 peak 2734 spectrum 1 weight 0.11000E+01 volume 0.49449E-03 ppm1 1.299 ppm2 2.181 CV 1 ASSI { 2738} (( segid " " and resid 86 and name HG )) ( segid " " and resid 68 and name HG1%) 5.600 5.600 0.400 peak 2738 spectrum 1 weight 0.11000E+01 volume 0.58088E-03 ppm1 1.606 ppm2 1.085 CV 1 ASSI { 2740} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HB2 )) 2.900 1.000 1.000 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.68626E-02 ppm1 1.634 ppm2 1.804 CV 1 ASSI { 2742} (( segid " " and resid 86 and name HG )) (( segid " " and resid 85 and name HA )) 2.200 2.200 3.800 peak 2742 spectrum 1 weight 0.11000E+01 volume 0.84340E-03 ppm1 1.614 ppm2 4.378 CV 1 ASSI { 2743} (( segid " " and resid 86 and name HG )) ( segid " " and resid 88 and name HD% ) 3.600 1.600 1.600 peak 2743 spectrum 1 weight 0.11000E+01 volume 0.11553E-02 ppm1 1.595 ppm2 6.964 CV 1 ASSI { 2744} (( segid " " and resid 86 and name HG )) ( segid " " and resid 88 and name HE% ) 5.600 3.900 0.400 peak 2744 spectrum 1 weight 0.11000E+01 volume 0.45830E-03 ppm1 1.597 ppm2 7.176 CV 1 ASSI { 2748} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 68 and name HB )) 5.100 5.100 0.900 peak 2748 spectrum 1 weight 0.11000E+01 volume 0.87051E-03 ppm1 0.946 ppm2 2.187 CV 1 ASSI { 2749} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 88 and name HB1 )) 5.700 4.000 0.300 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.22120E-03 ppm1 0.953 ppm2 3.135 CV 1 OR { 2749} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 88 and name HB2 )) ASSI { 2750} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 88 and name HD% ) 5.200 3.400 0.800 peak 2750 spectrum 1 weight 0.11000E+01 volume 0.59493E-03 ppm1 0.948 ppm2 6.958 CV 1 ASSI { 2751} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 88 and name HE% ) 6.000 5.800 0.000 peak 2751 spectrum 1 weight 0.11000E+01 volume 0.29093E-03 ppm1 0.957 ppm2 7.180 CV 1 ASSI { 2758} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 88 and name HD% ) 6.000 6.000 0.000 peak 2758 spectrum 1 weight 0.11000E+01 volume 0.15353E-03 ppm1 1.352 ppm2 6.966 CV 1 ASSI { 2759} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 88 and name HE% ) 6.000 6.000 0.000 peak 2759 spectrum 1 weight 0.11000E+01 volume 0.11581E-03 ppm1 1.357 ppm2 7.181 CV 1 ASSI { 2764} (( segid " " and resid 90 and name HA )) (( segid " " and resid 104 and name HD2 )) 6.000 6.000 0.000 peak 2764 spectrum 1 weight 0.11000E+01 volume 0.88699E-04 ppm1 4.359 ppm2 3.107 CV 1 ASSI { 2767} (( segid " " and resid 90 and name HB1 )) ( segid " " and resid 88 and name HD% ) 5.800 4.200 0.200 peak 2767 spectrum 1 weight 0.11000E+01 volume 0.17914E-03 ppm1 1.963 ppm2 6.939 CV 1 ASSI { 2770} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 112 and name HA )) 5.900 4.300 0.100 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.13433E-03 ppm1 1.441 ppm2 5.192 CV 1 ASSI { 2775} ( segid " " and resid 90 and name HD1%) ( segid " " and resid 66 and name HG2%) 3.700 1.700 1.700 peak 2775 spectrum 1 weight 0.11000E+01 volume 0.87764E-03 ppm1 1.052 ppm2 0.023 CV 1 ASSI { 2778} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 104 and name HG1 )) 4.100 2.100 1.900 peak 2778 spectrum 1 weight 0.11000E+01 volume 0.66309E-03 ppm1 1.052 ppm2 2.122 CV 1 ASSI { 2779} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 103 and name HB )) 2.900 1.000 1.000 peak 2779 spectrum 1 weight 0.11000E+01 volume 0.99058E-03 ppm1 1.057 ppm2 2.302 CV 1 ASSI { 2780} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 104 and name HD2 )) 4.300 2.300 1.700 peak 2780 spectrum 1 weight 0.11000E+01 volume 0.63612E-03 ppm1 1.057 ppm2 3.131 CV 1 ASSI { 2787} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 104 and name HD2 )) 6.000 4.600 0.000 peak 2787 spectrum 1 weight 0.11000E+01 volume 0.18832E-03 ppm1 0.750 ppm2 3.135 CV 1 ASSI { 2792} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 88 and name HD% ) 6.000 4.900 0.000 peak 2792 spectrum 1 weight 0.11000E+01 volume 0.60718E-04 ppm1 1.485 ppm2 6.963 CV 1 ASSI { 2793} (( segid " " and resid 90 and name HG )) ( segid " " and resid 88 and name HD% ) 6.000 5.100 0.000 peak 2793 spectrum 1 weight 0.11000E+01 volume 0.12225E-03 ppm1 1.597 ppm2 6.948 CV 1 ASSI { 2794} ( segid " " and resid 90 and name HD2%) ( segid " " and resid 88 and name HD% ) 4.600 4.600 1.400 peak 2794 spectrum 1 weight 0.11000E+01 volume 0.97746E-03 ppm1 0.782 ppm2 6.950 CV 1 ASSI { 2795} (( segid " " and resid 86 and name HB1 )) ( segid " " and resid 88 and name HE% ) 6.000 5.600 0.000 peak 2795 spectrum 1 weight 0.11000E+01 volume 0.14310E-03 ppm1 2.036 ppm2 7.176 CV 1 ASSI { 2796} (( segid " " and resid 90 and name HG )) ( segid " " and resid 88 and name HE% ) 6.000 4.800 0.000 peak 2796 spectrum 1 weight 0.11000E+01 volume 0.10090E-03 ppm1 1.579 ppm2 7.178 CV 1 ASSI { 2799} (( segid " " and resid 62 and name HA )) (( segid " " and resid 90 and name HG )) 3.000 1.100 1.100 peak 2799 spectrum 1 weight 0.11000E+01 volume 0.77879E-03 ppm1 3.610 ppm2 1.593 CV 1 ASSI { 2802} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 103 and name HB )) 6.000 6.000 0.000 peak 2802 spectrum 1 weight 0.11000E+01 volume 0.27083E-04 ppm1 1.427 ppm2 2.311 CV 1 ASSI { 2804} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 103 and name HB )) 3.900 1.900 1.900 peak 2804 spectrum 1 weight 0.11000E+01 volume 0.55012E-03 ppm1 0.763 ppm2 2.299 CV 1 ASSI { 2805} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 104 and name HG1 )) 5.000 3.200 1.000 peak 2805 spectrum 1 weight 0.11000E+01 volume 0.39882E-03 ppm1 1.972 ppm2 2.119 CV 1 ASSI { 2807} (( segid " " and resid 90 and name HG )) (( segid " " and resid 104 and name HG1 )) 4.200 2.200 1.800 peak 2807 spectrum 1 weight 0.11000E+01 volume 0.22696E-03 ppm1 1.567 ppm2 2.128 CV 1 ASSI { 2808} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 88 and name HZ )) 5.000 3.200 1.000 peak 2808 spectrum 1 weight 0.11000E+01 volume 0.40800E-03 ppm1 0.772 ppm2 6.849 CV 1 ASSI { 2809} (( segid " " and resid 90 and name HA )) (( segid " " and resid 88 and name HZ )) 6.000 5.500 0.000 peak 2809 spectrum 1 weight 0.11000E+01 volume 0.56029E-04 ppm1 4.366 ppm2 6.834 CV 1 ASSI { 2812} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 95 and name HB )) 3.600 1.600 1.600 peak 2812 spectrum 1 weight 0.11000E+01 volume 0.33375E-03 ppm1 1.497 ppm2 1.806 CV 1 ASSI { 2813} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 95 and name HB )) 5.000 3.100 1.000 peak 2813 spectrum 1 weight 0.11000E+01 volume 0.33240E-03 ppm1 1.333 ppm2 1.814 CV 1 ASSI { 2815} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 88 and name HZ )) 5.800 4.200 0.200 peak 2815 spectrum 1 weight 0.11000E+01 volume 0.17736E-03 ppm1 1.496 ppm2 6.840 CV 1 ASSI { 2816} (( segid " " and resid 99 and name HB1 )) ( segid " " and resid 88 and name HD% ) 6.000 5.800 0.000 peak 2816 spectrum 1 weight 0.11000E+01 volume 0.83733E-04 ppm1 1.505 ppm2 6.961 CV 1 ASSI { 2818} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 88 and name HE% ) 6.000 4.800 0.000 peak 2818 spectrum 1 weight 0.11000E+01 volume 0.22277E-03 ppm1 1.332 ppm2 7.183 CV 1 ASSI { 2819} (( segid " " and resid 15 and name HG )) ( segid " " and resid 15 and name HD2%) 3.800 1.800 1.800 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.65046E-03 ppm1 1.386 ppm2 0.520 CV 1 ASSI { 2821} (( segid " " and resid 99 and name HG )) ( segid " " and resid 88 and name HE% ) 4.900 3.000 1.100 peak 2821 spectrum 1 weight 0.11000E+01 volume 0.13865E-03 ppm1 1.375 ppm2 7.184 CV 1 ASSI { 2822} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 142 and name HG1%) 2.400 2.400 3.600 peak 2822 spectrum 1 weight 0.11000E+01 volume 0.44679E-02 ppm1 1.306 ppm2 0.941 CV 1 ASSI { 2826} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 142 and name HG2%) 3.300 3.300 2.700 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.59119E-02 ppm1 0.735 ppm2 0.852 CV 1 ASSI { 2827} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 142 and name HG1%) 2.700 2.700 3.300 peak 2827 spectrum 1 weight 0.11000E+01 volume 0.25891E-02 ppm1 0.735 ppm2 0.953 CV 1 ASSI { 2828} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 68 and name HG1%) 3.600 1.600 1.600 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.12130E-02 ppm1 0.742 ppm2 1.080 CV 1 ASSI { 2837} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 86 and name HB2 )) 3.600 1.600 1.600 peak 2837 spectrum 1 weight 0.11000E+01 volume 0.21036E-02 ppm1 0.960 ppm2 1.307 CV 1 ASSI { 2839} (( segid " " and resid 101 and name HB1 )) ( segid " " and resid 39 and name HG2%) 2.900 2.900 3.100 peak 2839 spectrum 1 weight 0.11000E+01 volume 0.26868E-02 ppm1 1.601 ppm2 0.846 CV 1 ASSI { 2841} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 97 and name HG1 )) 6.000 6.000 0.000 peak 2841 spectrum 1 weight 0.11000E+01 volume 0.70415E-04 ppm1 1.604 ppm2 2.651 CV 1 ASSI { 2843} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 98 and name HA )) 4.700 2.700 1.300 peak 2843 spectrum 1 weight 0.11000E+01 volume 0.10872E-03 ppm1 1.161 ppm2 3.855 CV 1 ASSI { 2844} (( segid " " and resid 101 and name HB1 )) (( segid " " and resid 99 and name HA )) 4.800 2.900 1.200 peak 2844 spectrum 1 weight 0.11000E+01 volume 0.89738E-03 ppm1 1.594 ppm2 4.170 CV 1 ASSI { 2851} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 102 and name HA )) 5.600 3.900 0.400 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.87415E-04 ppm1 1.169 ppm2 4.459 CV 1 ASSI { 2854} (( segid " " and resid 101 and name HG )) ( segid " " and resid 39 and name HG2%) 3.900 3.900 2.100 peak 2854 spectrum 1 weight 0.11000E+01 volume 0.22851E-02 ppm1 1.811 ppm2 0.837 CV 1 ASSI { 2856} (( segid " " and resid 101 and name HG )) (( segid " " and resid 100 and name HB2 )) 5.600 3.900 0.400 peak 2856 spectrum 1 weight 0.11000E+01 volume 0.26124E-03 ppm1 1.825 ppm2 2.422 CV 1 ASSI { 2857} (( segid " " and resid 20 and name HG )) (( segid " " and resid 19 and name HZ )) 3.200 3.200 2.800 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.90348E-04 ppm1 1.797 ppm2 7.548 CV 1 ASSI { 2861} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 97 and name HB1 )) 3.300 1.400 1.400 peak 2861 spectrum 1 weight 0.11000E+01 volume 0.11477E-02 ppm1 0.687 ppm2 2.267 CV 1 ASSI { 2862} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 97 and name HG2 )) 5.000 3.100 1.000 peak 2862 spectrum 1 weight 0.11000E+01 volume 0.34816E-03 ppm1 0.687 ppm2 2.483 CV 1 ASSI { 2863} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 97 and name HG1 )) 4.100 2.100 1.900 peak 2863 spectrum 1 weight 0.11000E+01 volume 0.26011E-03 ppm1 0.683 ppm2 2.651 CV 1 ASSI { 2865} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 98 and name HA )) 4.600 2.600 1.400 peak 2865 spectrum 1 weight 0.11000E+01 volume 0.29815E-03 ppm1 0.685 ppm2 3.844 CV 1 ASSI { 2867} ( segid " " and resid 101 and name HD1%) ( segid " " and resid 120 and name HE% ) 2.300 2.300 3.700 peak 2867 spectrum 1 weight 0.11000E+01 volume 0.56380E-03 ppm1 0.680 ppm2 6.707 CV 1 ASSI { 2868} ( segid " " and resid 101 and name HD1%) ( segid " " and resid 120 and name HD% ) 2.300 2.300 3.700 peak 2868 spectrum 1 weight 0.11000E+01 volume 0.67429E-03 ppm1 0.685 ppm2 6.937 CV 1 ASSI { 2869} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 100 and name HB1 )) 5.200 3.400 0.800 peak 2869 spectrum 1 weight 0.11000E+01 volume 0.13221E-03 ppm1 0.526 ppm2 2.563 CV 1 ASSI { 2876} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 101 and name HB2 )) 3.400 1.500 1.500 peak 2876 spectrum 1 weight 0.11000E+01 volume 0.63982E-03 ppm1 0.791 ppm2 1.182 CV 1 ASSI { 2878} (( segid " " and resid 98 and name HA )) (( segid " " and resid 101 and name HB1 )) 5.600 4.000 0.400 peak 2878 spectrum 1 weight 0.11000E+01 volume 0.23542E-03 ppm1 3.850 ppm2 1.597 CV 1 ASSI { 2880} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 98 and name HA )) 4.400 4.400 1.600 peak 2880 spectrum 1 weight 0.11000E+01 volume 0.92423E-03 ppm1 0.521 ppm2 3.842 CV 1 ASSI { 2881} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 97 and name HB1 )) 3.300 3.300 2.700 peak 2881 spectrum 1 weight 0.11000E+01 volume 0.75448E-04 ppm1 0.509 ppm2 2.287 CV 1 OR { 2881} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 97 and name HB2 )) ASSI { 2882} (( segid " " and resid 101 and name HG )) (( segid " " and resid 97 and name HB1 )) 4.700 2.800 1.300 peak 2882 spectrum 1 weight 0.11000E+01 volume 0.17284E-03 ppm1 1.793 ppm2 2.284 CV 1 ASSI { 2883} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 101 and name HG )) 4.600 2.700 1.400 peak 2883 spectrum 1 weight 0.11000E+01 volume 0.43264E-03 ppm1 2.265 ppm2 1.796 CV 1 OR { 2883} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 101 and name HG )) ASSI { 2884} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 101 and name HD1%) 3.900 1.900 1.900 peak 2884 spectrum 1 weight 0.11000E+01 volume 0.99236E-03 ppm1 2.264 ppm2 0.687 CV 1 OR { 2884} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 101 and name HD1%) ASSI { 2887} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 101 and name HG )) 3.400 1.400 1.400 peak 2887 spectrum 1 weight 0.11000E+01 volume 0.74293E-03 ppm1 2.585 ppm2 1.798 CV 1 ASSI { 2888} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 100 and name HB1 )) 5.600 3.900 0.400 peak 2888 spectrum 1 weight 0.11000E+01 volume 0.13364E-03 ppm1 0.672 ppm2 2.570 CV 1 ASSI { 2890} (( segid " " and resid 97 and name HA )) ( segid " " and resid 101 and name HD1%) 5.800 4.200 0.200 peak 2890 spectrum 1 weight 0.11000E+01 volume 0.13871E-03 ppm1 4.024 ppm2 0.683 CV 1 ASSI { 2894} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 105 and name HA )) 4.100 2.100 1.900 peak 2894 spectrum 1 weight 0.11000E+01 volume 0.36306E-03 ppm1 3.072 ppm2 4.374 CV 1 ASSI { 2896} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 47 and name HE1 )) 4.700 2.700 1.300 peak 2896 spectrum 1 weight 0.11000E+01 volume 0.18856E-03 ppm1 1.797 ppm2 2.586 CV 1 OR { 2896} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 47 and name HE2 )) ASSI { 2897} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 47 and name HE1 )) 5.500 3.800 0.500 peak 2897 spectrum 1 weight 0.11000E+01 volume 0.15408E-03 ppm1 1.702 ppm2 2.580 CV 1 OR { 2897} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 47 and name HE2 )) ASSI { 2901} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 47 and name HD2 )) 4.400 4.400 1.600 peak 2901 spectrum 1 weight 0.11000E+01 volume 0.69165E-03 ppm1 1.694 ppm2 1.423 CV 1 ASSI { 2902} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 102 and name HA )) 4.000 2.000 2.000 peak 2902 spectrum 1 weight 0.11000E+01 volume 0.15663E-03 ppm1 1.707 ppm2 4.480 CV 1 ASSI { 2907} ( segid " " and resid 105 and name HD1%) ( segid " " and resid 39 and name HG2%) 2.300 0.700 0.700 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.94231E-02 ppm1 0.968 ppm2 0.782 CV 1 OR { 2907} ( segid " " and resid 105 and name HD1%) ( segid " " and resid 39 and name HD1%) ASSI { 2909} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 47 and name HE2 )) 3.400 1.500 1.500 peak 2909 spectrum 1 weight 0.11000E+01 volume 0.93285E-03 ppm1 0.968 ppm2 2.583 CV 1 ASSI { 2911} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 47 and name HA )) 2.700 2.700 3.300 peak 2911 spectrum 1 weight 0.11000E+01 volume 0.23548E-03 ppm1 0.958 ppm2 5.940 CV 1 ASSI { 2918} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 104 and name HD2 )) 2.600 2.600 3.400 peak 2918 spectrum 1 weight 0.11000E+01 volume 0.31337E-03 ppm1 0.876 ppm2 3.094 CV 1 ASSI { 2923} (( segid " " and resid 105 and name HA )) (( segid " " and resid 47 and name HE1 )) 6.000 6.000 0.000 peak 2923 spectrum 1 weight 0.11000E+01 volume 0.41299E-04 ppm1 4.381 ppm2 2.576 CV 1 OR { 2923} (( segid " " and resid 105 and name HA )) (( segid " " and resid 47 and name HE2 )) ASSI { 2926} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 105 and name HG )) 6.000 5.200 0.000 peak 2926 spectrum 1 weight 0.11000E+01 volume 0.13028E-03 ppm1 2.583 ppm2 1.629 CV 1 OR { 2926} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 105 and name HG )) ASSI { 2927} (( segid " " and resid 105 and name HB1 )) (( segid " " and resid 47 and name HD2 )) 5.600 3.900 0.400 peak 2927 spectrum 1 weight 0.11000E+01 volume 0.22041E-03 ppm1 1.806 ppm2 1.440 CV 1 ASSI { 2933} (( segid " " and resid 138 and name HA )) (( segid " " and resid 132 and name HG11)) 5.200 3.400 0.800 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.33069E-03 ppm1 5.244 ppm2 1.028 CV 1 ASSI { 2934} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 140 and name HD2%) 3.900 1.900 1.900 peak 2934 spectrum 1 weight 0.11000E+01 volume 0.26847E-03 ppm1 1.888 ppm2 0.702 CV 1 ASSI { 2935} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 140 and name HD2%) 5.400 3.600 0.600 peak 2935 spectrum 1 weight 0.11000E+01 volume 0.27627E-03 ppm1 1.404 ppm2 0.715 CV 1 ASSI { 2936} (( segid " " and resid 138 and name HB1 )) (( segid " " and resid 132 and name HG11)) 4.400 2.400 1.600 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 1.883 ppm2 1.023 CV 1 ASSI { 2937} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 132 and name HG11)) 4.100 2.100 1.900 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 1.417 ppm2 1.027 CV 1 ASSI { 2938} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 72 and name HG2%) 4.900 3.100 1.100 peak 2938 spectrum 1 weight 0.11000E+01 volume 0.20489E-03 ppm1 1.867 ppm2 1.168 CV 1 ASSI { 2939} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 72 and name HG2%) 5.200 3.400 0.800 peak 2939 spectrum 1 weight 0.11000E+01 volume 0.37758E-03 ppm1 1.433 ppm2 1.183 CV 1 ASSI { 2940} (( segid " " and resid 138 and name HB1 )) (( segid " " and resid 139 and name HB2 )) 6.000 6.000 0.000 peak 2940 spectrum 1 weight 0.11000E+01 volume 0.95806E-04 ppm1 1.855 ppm2 2.654 CV 1 ASSI { 2943} (( segid " " and resid 138 and name HB1 )) ( segid " " and resid 122 and name HD% ) 6.000 5.300 0.000 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.10998E-03 ppm1 1.878 ppm2 7.096 CV 1 ASSI { 2945} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 137 and name HB% ) 2.400 2.400 3.600 peak 2945 spectrum 1 weight 0.11000E+01 volume 0.44906E-03 ppm1 1.416 ppm2 1.454 CV 1 ASSI { 2946} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 116 and name HA )) 3.400 3.400 2.600 peak 2946 spectrum 1 weight 0.11000E+01 volume 0.64614E-04 ppm1 1.407 ppm2 5.371 CV 1 ASSI { 2947} (( segid " " and resid 138 and name HB1 )) (( segid " " and resid 116 and name HA )) 3.200 3.200 2.800 peak 2947 spectrum 1 weight 0.11000E+01 volume 0.89171E-04 ppm1 1.924 ppm2 5.385 CV 1 ASSI { 2949} (( segid " " and resid 138 and name HG )) (( segid " " and resid 132 and name HG11)) 3.700 1.700 1.700 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.15586E-02 ppm1 1.926 ppm2 1.035 CV 1 ASSI { 2951} (( segid " " and resid 138 and name HG )) (( segid " " and resid 139 and name HB2 )) 6.000 5.100 0.000 peak 2951 spectrum 1 weight 0.11000E+01 volume 0.11180E-03 ppm1 1.911 ppm2 2.667 CV 1 ASSI { 2952} (( segid " " and resid 138 and name HG )) ( segid " " and resid 122 and name HE% ) 5.400 3.700 0.600 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.15370E-03 ppm1 1.894 ppm2 6.638 CV 1 ASSI { 2953} (( segid " " and resid 138 and name HG )) ( segid " " and resid 122 and name HD% ) 6.000 5.000 0.000 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.89856E-04 ppm1 1.909 ppm2 7.126 CV 1 ASSI { 2958} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 115 and name HA )) 5.400 3.700 0.600 peak 2958 spectrum 1 weight 0.11000E+01 volume 0.27796E-03 ppm1 1.110 ppm2 5.131 CV 1 ASSI { 2972} (( segid " " and resid 138 and name HA )) (( segid " " and resid 117 and name HA )) 5.700 4.000 0.300 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.17624E-03 ppm1 5.288 ppm2 4.406 CV 1 ASSI { 2979} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 72 and name HA )) 4.800 2.900 1.200 peak 2979 spectrum 1 weight 0.11000E+01 volume 0.19932E-03 ppm1 1.320 ppm2 4.904 CV 1 ASSI { 2980} (( segid " " and resid 140 and name HG )) (( segid " " and resid 139 and name HA )) 5.300 3.400 0.700 peak 2980 spectrum 1 weight 0.11000E+01 volume 0.45810E-03 ppm1 1.656 ppm2 5.089 CV 1 ASSI { 2987} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 72 and name HA )) 5.000 3.100 1.000 peak 2987 spectrum 1 weight 0.11000E+01 volume 0.58276E-03 ppm1 0.710 ppm2 4.903 CV 1 ASSI { 2988} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 139 and name HA )) 2.300 2.300 3.700 peak 2988 spectrum 1 weight 0.11000E+01 volume 0.60035E-03 ppm1 0.714 ppm2 5.093 CV 1 ASSI { 2999} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 65 and name HG2%) 2.700 2.700 3.300 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.25910E-03 ppm1 1.586 ppm2 0.461 CV 1 OR { 2999} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 65 and name HG2%) ASSI { 3001} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 19 and name HB2 )) 2.800 2.800 3.200 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.19140E-03 ppm1 1.590 ppm2 3.047 CV 1 OR { 3001} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 19 and name HB2 )) ASSI { 3002} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) 3.700 1.700 1.700 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.10424E-02 ppm1 1.576 ppm2 4.303 CV 1 ASSI { 3003} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 112 and name HA )) 5.900 4.400 0.100 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.37145E-03 ppm1 1.569 ppm2 5.192 CV 1 ASSI { 3005} (( segid " " and resid 150 and name HG )) ( segid " " and resid 150 and name HD1%) 2.700 0.900 0.900 peak 3005 spectrum 1 weight 0.11000E+01 volume 0.54540E-02 ppm1 1.553 ppm2 0.859 CV 1 OR { 3005} (( segid " " and resid 150 and name HG )) ( segid " " and resid 150 and name HD2%) ASSI { 3010} (( segid " " and resid 49 and name HA )) (( segid " " and resid 47 and name HE2 )) 5.500 3.700 0.500 peak 3010 spectrum 1 weight 0.11000E+01 volume 0.18751E-03 ppm1 3.988 ppm2 2.575 CV 1 OR { 3010} (( segid " " and resid 49 and name HA )) (( segid " " and resid 47 and name HE1 )) ASSI { 3011} (( segid " " and resid 49 and name HA )) (( segid " " and resid 110 and name HG2 )) 5.400 3.700 0.600 peak 3011 spectrum 1 weight 0.11000E+01 volume 0.10219E-03 ppm1 3.976 ppm2 2.726 CV 1 OR { 3011} (( segid " " and resid 49 and name HA )) (( segid " " and resid 110 and name HG1 )) ASSI { 3014} (( segid " " and resid 49 and name HB )) (( segid " " and resid 50 and name HG )) 6.000 6.000 0.000 peak 3014 spectrum 1 weight 0.11000E+01 volume 0.13338E-03 ppm1 3.835 ppm2 1.543 CV 1 ASSI { 3015} (( segid " " and resid 49 and name HB )) (( segid " " and resid 52 and name HB2 )) 6.000 6.000 0.000 peak 3015 spectrum 1 weight 0.11000E+01 volume 0.72771E-04 ppm1 3.817 ppm2 1.943 CV 1 ASSI { 3017} (( segid " " and resid 49 and name HB )) (( segid " " and resid 48 and name HA )) 5.700 4.100 0.300 peak 3017 spectrum 1 weight 0.11000E+01 volume 0.38083E-03 ppm1 3.825 ppm2 4.656 CV 1 ASSI { 3019} (( segid " " and resid 49 and name HB )) (( segid " " and resid 112 and name HA )) 6.000 4.800 0.000 peak 3019 spectrum 1 weight 0.11000E+01 volume 0.16160E-03 ppm1 3.825 ppm2 5.197 CV 1 ASSI { 3022} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 110 and name HG2 )) 3.500 1.600 1.600 peak 3022 spectrum 1 weight 0.11000E+01 volume 0.13487E-02 ppm1 1.049 ppm2 2.721 CV 1 OR { 3022} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 110 and name HG1 )) ASSI { 3024} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 52 and name HD2 )) 5.700 5.700 0.300 peak 3024 spectrum 1 weight 0.11000E+01 volume 0.42924E-03 ppm1 1.045 ppm2 3.635 CV 1 ASSI { 3025} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 50 and name HG )) 5.800 5.800 0.200 peak 3025 spectrum 1 weight 0.11000E+01 volume 0.61510E-03 ppm1 1.036 ppm2 1.564 CV 1 ASSI { 3027} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) 6.000 6.000 0.000 peak 3027 spectrum 1 weight 0.11000E+01 volume 0.18384E-03 ppm1 3.968 ppm2 1.971 CV 1 ASSI { 3028} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 49 and name HA )) 4.800 4.800 1.200 peak 3028 spectrum 1 weight 0.11000E+01 volume 0.63800E-03 ppm1 1.991 ppm2 3.967 CV 1 ASSI { 3029} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 51 and name HB )) 3.800 3.800 2.200 peak 3029 spectrum 1 weight 0.11000E+01 volume 0.21609E-02 ppm1 1.053 ppm2 2.027 CV 1 ASSI { 3030} (( segid " " and resid 49 and name HB )) (( segid " " and resid 51 and name HB )) 5.900 5.900 0.100 peak 3030 spectrum 1 weight 0.11000E+01 volume 0.10345E-03 ppm1 3.814 ppm2 2.024 CV 1 ASSI { 3032} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 52 and name HB2 )) 4.400 4.400 1.600 peak 3032 spectrum 1 weight 0.11000E+01 volume 0.12453E-02 ppm1 1.047 ppm2 1.972 CV 1 ASSI { 3033} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 49 and name HA )) 5.200 3.400 0.800 peak 3033 spectrum 1 weight 0.11000E+01 volume 0.42119E-03 ppm1 2.575 ppm2 3.985 CV 1 ASSI { 3034} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 49 and name HA )) 4.600 4.600 1.400 peak 3034 spectrum 1 weight 0.11000E+01 volume 0.44863E-03 ppm1 2.577 ppm2 4.024 CV 1 ASSI { 3035} (( segid " " and resid 49 and name HB )) (( segid " " and resid 47 and name HE2 )) 6.000 6.000 0.000 peak 3035 spectrum 1 weight 0.11000E+01 volume 0.27254E-04 ppm1 3.821 ppm2 2.582 CV 1 OR { 3035} (( segid " " and resid 49 and name HB )) (( segid " " and resid 47 and name HE1 )) ASSI { 3038} (( segid " " and resid 49 and name HB )) (( segid " " and resid 110 and name HG2 )) 6.000 6.000 0.000 peak 3038 spectrum 1 weight 0.11000E+01 volume 0.36888E-04 ppm1 3.820 ppm2 2.706 CV 1 OR { 3038} (( segid " " and resid 49 and name HB )) (( segid " " and resid 110 and name HG1 )) ASSI { 3042} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HA )) 4.800 2.800 1.200 peak 3042 spectrum 1 weight 0.11000E+01 volume 0.49994E-03 ppm1 3.985 ppm2 4.649 CV 1 ASSI { 3043} (( segid " " and resid 49 and name HB )) (( segid " " and resid 52 and name HA )) 5.100 3.300 0.900 peak 3043 spectrum 1 weight 0.11000E+01 volume 0.21007E-03 ppm1 3.851 ppm2 4.395 CV 1 ASSI { 3044} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HA )) 4.900 4.900 1.100 peak 3044 spectrum 1 weight 0.11000E+01 volume 0.25115E-03 ppm1 3.997 ppm2 4.377 CV 1 ASSI { 3045} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 49 and name HG2%) 3.600 1.600 1.600 peak 3045 spectrum 1 weight 0.11000E+01 volume 0.48670E-03 ppm1 2.325 ppm2 1.052 CV 1 ASSI { 3046} (( segid " " and resid 49 and name HB )) (( segid " " and resid 52 and name HB1 )) 5.000 3.100 1.000 peak 3046 spectrum 1 weight 0.11000E+01 volume 0.66905E-04 ppm1 3.814 ppm2 2.320 CV 1 ASSI { 3047} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 6.000 5.000 0.000 peak 3047 spectrum 1 weight 0.11000E+01 volume 0.90733E-04 ppm1 3.988 ppm2 2.335 CV 1 ASSI { 3048} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 48 and name HA )) 5.200 3.300 0.800 peak 3048 spectrum 1 weight 0.11000E+01 volume 0.50149E-03 ppm1 1.047 ppm2 4.668 CV 1 ASSI { 3051} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HA )) 5.200 3.300 0.800 peak 3051 spectrum 1 weight 0.11000E+01 volume 0.19468E-03 ppm1 5.322 ppm2 5.616 CV 1 ASSI { 3054} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HB )) 5.400 3.700 0.600 peak 3054 spectrum 1 weight 0.11000E+01 volume 0.10225E-03 ppm1 5.332 ppm2 1.701 CV 1 ASSI { 3060} (( segid " " and resid 67 and name HB )) (( segid " " and resid 145 and name HG1 )) 5.000 3.100 1.000 peak 3060 spectrum 1 weight 0.11000E+01 volume 0.10309E-03 ppm1 3.969 ppm2 1.572 CV 1 ASSI { 3062} (( segid " " and resid 67 and name HB )) (( segid " " and resid 68 and name HA )) 5.200 3.400 0.800 peak 3062 spectrum 1 weight 0.11000E+01 volume 0.11671E-03 ppm1 4.011 ppm2 5.612 CV 1 ASSI { 3065} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 85 and name HB1 )) 3.500 1.500 1.500 peak 3065 spectrum 1 weight 0.11000E+01 volume 0.18459E-02 ppm1 1.062 ppm2 1.967 CV 1 ASSI { 3071} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 68 and name HA )) 3.400 3.400 2.600 peak 3071 spectrum 1 weight 0.11000E+01 volume 0.39098E-02 ppm1 1.049 ppm2 5.617 CV 1 ASSI { 3074} (( segid " " and resid 72 and name HA )) (( segid " " and resid 79 and name HA )) 5.000 3.100 1.000 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.31097E-03 ppm1 4.922 ppm2 4.544 CV 1 ASSI { 3077} (( segid " " and resid 78 and name HB )) ( segid " " and resid 80 and name HG1%) 4.400 4.400 1.600 peak 3077 spectrum 1 weight 0.11000E+01 volume 0.47981E-03 ppm1 4.034 ppm2 0.915 CV 1 ASSI { 3078} (( segid " " and resid 72 and name HB )) (( segid " " and resid 71 and name HB2 )) 4.900 3.000 1.100 peak 3078 spectrum 1 weight 0.11000E+01 volume 0.50946E-03 ppm1 4.017 ppm2 2.077 CV 1 ASSI { 3079} (( segid " " and resid 72 and name HB )) (( segid " " and resid 71 and name HB1 )) 5.700 5.700 0.300 peak 3079 spectrum 1 weight 0.11000E+01 volume 0.25925E-03 ppm1 4.029 ppm2 2.175 CV 1 ASSI { 3082} (( segid " " and resid 72 and name HB )) (( segid " " and resid 71 and name HA )) 5.700 4.000 0.300 peak 3082 spectrum 1 weight 0.11000E+01 volume 0.21426E-03 ppm1 4.014 ppm2 5.047 CV 1 ASSI { 3087} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HB )) 4.200 2.200 1.800 peak 3087 spectrum 1 weight 0.11000E+01 volume 0.13196E-02 ppm1 2.116 ppm2 3.990 CV 1 OR { 3087} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 72 and name HB )) ASSI { 3088} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 70 and name HB2 )) 6.000 6.000 0.000 peak 3088 spectrum 1 weight 0.11000E+01 volume 0.28428E-03 ppm1 2.105 ppm2 1.202 CV 1 ASSI { 3090} (( segid " " and resid 78 and name HA )) ( segid " " and resid 80 and name HG1%) 4.600 2.600 1.400 peak 3090 spectrum 1 weight 0.11000E+01 volume 0.66916E-03 ppm1 4.063 ppm2 0.985 CV 1 ASSI { 3093} (( segid " " and resid 78 and name HA )) (( segid " " and resid 73 and name HA )) 6.000 5.200 0.000 peak 3093 spectrum 1 weight 0.11000E+01 volume 0.96790E-04 ppm1 4.058 ppm2 5.542 CV 1 ASSI { 3099} (( segid " " and resid 78 and name HB )) (( segid " " and resid 74 and name HB2 )) 3.500 1.500 1.500 peak 3099 spectrum 1 weight 0.11000E+01 volume 0.47559E-03 ppm1 4.065 ppm2 1.920 CV 1 ASSI { 3104} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 74 and name HD2%) 3.500 3.500 2.500 peak 3104 spectrum 1 weight 0.11000E+01 volume 0.40594E-02 ppm1 1.253 ppm2 0.856 CV 1 ASSI { 3105} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 74 and name HG )) 4.500 2.500 1.500 peak 3105 spectrum 1 weight 0.11000E+01 volume 0.49404E-03 ppm1 1.239 ppm2 1.731 CV 1 ASSI { 3106} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 74 and name HB2 )) 4.700 2.800 1.300 peak 3106 spectrum 1 weight 0.11000E+01 volume 0.67725E-03 ppm1 1.235 ppm2 1.924 CV 1 ASSI { 3107} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 74 and name HB1 )) 5.100 5.100 0.900 peak 3107 spectrum 1 weight 0.11000E+01 volume 0.96030E-03 ppm1 1.253 ppm2 2.022 CV 1 ASSI { 3108} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 74 and name HA )) 4.700 4.700 1.300 peak 3108 spectrum 1 weight 0.11000E+01 volume 0.13251E-02 ppm1 1.238 ppm2 4.760 CV 1 ASSI { 3110} (( segid " " and resid 78 and name HA )) ( segid " " and resid 74 and name HD2%) 5.800 4.200 0.200 peak 3110 spectrum 1 weight 0.11000E+01 volume 0.20874E-03 ppm1 4.060 ppm2 0.845 CV 1 ASSI { 3113} (( segid " " and resid 78 and name HA )) (( segid " " and resid 74 and name HB2 )) 4.800 2.900 1.200 peak 3113 spectrum 1 weight 0.11000E+01 volume 0.39800E-03 ppm1 4.054 ppm2 1.901 CV 1 ASSI { 3114} (( segid " " and resid 78 and name HB )) (( segid " " and resid 74 and name HB1 )) 4.300 2.300 1.700 peak 3114 spectrum 1 weight 0.11000E+01 volume 0.84938E-03 ppm1 4.059 ppm2 2.008 CV 1 ASSI { 3116} (( segid " " and resid 78 and name HB )) (( segid " " and resid 73 and name HA )) 5.900 5.900 0.100 peak 3116 spectrum 1 weight 0.11000E+01 volume 0.13498E-03 ppm1 4.086 ppm2 5.514 CV 1 ASSI { 3118} (( segid " " and resid 78 and name HB )) (( segid " " and resid 74 and name HA )) 4.500 2.500 1.500 peak 3118 spectrum 1 weight 0.11000E+01 volume 0.13089E-02 ppm1 4.083 ppm2 4.746 CV 1 ASSI { 3121} (( segid " " and resid 89 and name HA )) (( segid " " and resid 63 and name HA1 )) 4.200 2.200 1.800 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 4.590 ppm2 4.432 CV 1 ASSI { 3125} (( segid " " and resid 89 and name HB )) (( segid " " and resid 94 and name HA )) 5.800 4.200 0.200 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.28698E-03 ppm1 4.139 ppm2 4.671 CV 1 ASSI { 3127} (( segid " " and resid 89 and name HB )) (( segid " " and resid 88 and name HA )) 6.000 4.800 0.000 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.21545E-03 ppm1 4.141 ppm2 4.954 CV 1 ASSI { 3132} (( segid " " and resid 111 and name HA )) ( segid " " and resid 143 and name HG2%) 3.600 1.600 1.600 peak 3132 spectrum 1 weight 0.11000E+01 volume 0.16548E-02 ppm1 5.618 ppm2 1.044 CV 1 ASSI { 3139} (( segid " " and resid 111 and name HB )) ( segid " " and resid 143 and name HG2%) 4.100 2.100 1.900 peak 3139 spectrum 1 weight 0.11000E+01 volume 0.68048E-03 ppm1 3.786 ppm2 1.063 CV 1 ASSI { 3141} (( segid " " and resid 111 and name HB )) ( segid " " and resid 112 and name HB% ) 5.400 5.400 0.600 peak 3141 spectrum 1 weight 0.11000E+01 volume 0.26192E-03 ppm1 3.777 ppm2 1.553 CV 1 ASSI { 3142} (( segid " " and resid 111 and name HB )) ( segid " " and resid 106 and name HE% ) 6.000 6.000 0.000 peak 3142 spectrum 1 weight 0.11000E+01 volume 0.13758E-03 ppm1 3.778 ppm2 1.982 CV 1 ASSI { 3143} (( segid " " and resid 111 and name HB )) (( segid " " and resid 51 and name HB )) 3.300 1.300 1.300 peak 3143 spectrum 1 weight 0.11000E+01 volume 0.15535E-02 ppm1 3.777 ppm2 2.073 CV 1 ASSI { 3146} (( segid " " and resid 111 and name HB )) (( segid " " and resid 110 and name HA )) 5.700 4.000 0.300 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.16125E-03 ppm1 3.788 ppm2 4.663 CV 1 ASSI { 3150} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 141 and name HG1 )) 2.900 1.000 1.000 peak 3150 spectrum 1 weight 0.11000E+01 volume 0.18957E-02 ppm1 1.193 ppm2 2.046 CV 1 ASSI { 3152} (( segid " " and resid 111 and name HB )) ( segid " " and resid 50 and name HD1%) 4.400 2.400 1.600 peak 3152 spectrum 1 weight 0.11000E+01 volume 0.18094E-03 ppm1 3.775 ppm2 0.843 CV 1 ASSI { 3153} (( segid " " and resid 143 and name HA )) ( segid " " and resid 142 and name HG1%) 2.600 2.600 3.400 peak 3153 spectrum 1 weight 0.11000E+01 volume 0.31262E-03 ppm1 5.618 ppm2 0.856 CV 1 ASSI { 3154} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 111 and name HA )) 5.100 3.200 0.900 peak 3154 spectrum 1 weight 0.11000E+01 volume 0.40931E-03 ppm1 1.536 ppm2 5.620 CV 1 ASSI { 3156} ( segid " " and resid 106 and name HE% ) (( segid " " and resid 111 and name HA )) 3.600 1.600 1.600 peak 3156 spectrum 1 weight 0.11000E+01 volume 0.15491E-02 ppm1 1.971 ppm2 5.619 CV 1 ASSI { 3157} ( segid " " and resid 106 and name HE% ) ( segid " " and resid 111 and name HG2%) 6.000 6.000 0.000 peak 3157 spectrum 1 weight 0.11000E+01 volume 0.77224E-04 ppm1 1.978 ppm2 1.185 CV 1 ASSI { 3159} (( segid " " and resid 115 and name HA )) ( segid " " and resid 140 and name HD2%) 5.700 4.000 0.300 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.13026E-03 ppm1 5.140 ppm2 0.705 CV 1 ASSI { 3160} (( segid " " and resid 115 and name HA )) (( segid " " and resid 139 and name HB2 )) 6.000 5.400 0.000 peak 3160 spectrum 1 weight 0.11000E+01 volume 0.92703E-04 ppm1 5.142 ppm2 2.680 CV 1 ASSI { 3162} (( segid " " and resid 115 and name HA )) (( segid " " and resid 36 and name HZ3 )) 6.000 5.000 0.000 peak 3162 spectrum 1 weight 0.11000E+01 volume 0.68575E-04 ppm1 5.136 ppm2 7.021 CV 1 OR { 3162} (( segid " " and resid 115 and name HA )) (( segid " " and resid 36 and name HH2 )) ASSI { 3163} (( segid " " and resid 115 and name HB )) (( segid " " and resid 46 and name HB2 )) 4.900 3.000 1.100 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.12446E-03 ppm1 4.111 ppm2 1.805 CV 1 OR { 3163} (( segid " " and resid 115 and name HB )) (( segid " " and resid 46 and name HB1 )) ASSI { 3164} (( segid " " and resid 115 and name HB )) (( segid " " and resid 36 and name HZ3 )) 5.700 4.100 0.300 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.76710E-04 ppm1 4.113 ppm2 6.939 CV 1 ASSI { 3165} (( segid " " and resid 115 and name HB )) (( segid " " and resid 36 and name HZ3 )) 5.200 3.400 0.800 peak 3165 spectrum 1 weight 0.11000E+01 volume 0.12957E-03 ppm1 4.121 ppm2 7.009 CV 1 OR { 3165} (( segid " " and resid 115 and name HB )) (( segid " " and resid 36 and name HH2 )) ASSI { 3171} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 140 and name HG )) 4.100 4.100 1.900 peak 3171 spectrum 1 weight 0.11000E+01 volume 0.24032E-02 ppm1 1.121 ppm2 1.686 CV 1 ASSI { 3173} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 113 and name HG2 )) 5.700 5.700 0.300 peak 3173 spectrum 1 weight 0.11000E+01 volume 0.35006E-03 ppm1 1.119 ppm2 2.529 CV 1 ASSI { 3176} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 137 and name HA )) 3.800 1.800 1.800 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.10008E-02 ppm1 1.119 ppm2 4.665 CV 1 ASSI { 3181} (( segid " " and resid 115 and name HB )) (( segid " " and resid 139 and name HB2 )) 6.000 6.000 0.000 peak 3181 spectrum 1 weight 0.11000E+01 volume 0.66391E-04 ppm1 4.153 ppm2 2.688 CV 1 ASSI { 3186} (( segid " " and resid 115 and name HA )) (( segid " " and resid 139 and name HB1 )) 6.000 6.000 0.000 peak 3186 spectrum 1 weight 0.11000E+01 volume 0.72514E-04 ppm1 5.159 ppm2 2.893 CV 1 ASSI { 3191} (( segid " " and resid 115 and name HB )) (( segid " " and resid 113 and name HG2 )) 6.000 6.000 0.000 peak 3191 spectrum 1 weight 0.11000E+01 volume 0.32992E-04 ppm1 4.138 ppm2 2.524 CV 1 ASSI { 3198} (( segid " " and resid 143 and name HB )) (( segid " " and resid 145 and name HG1 )) 6.000 5.500 0.000 peak 3198 spectrum 1 weight 0.11000E+01 volume 0.89428E-04 ppm1 4.093 ppm2 1.576 CV 1 ASSI { 3199} (( segid " " and resid 143 and name HB )) (( segid " " and resid 145 and name HD2 )) 5.700 4.100 0.300 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.87094E-04 ppm1 4.090 ppm2 1.681 CV 1 ASSI { 3200} (( segid " " and resid 143 and name HB )) (( segid " " and resid 142 and name HB )) 6.000 4.600 0.000 peak 3200 spectrum 1 weight 0.11000E+01 volume 0.12764E-03 ppm1 4.086 ppm2 1.966 CV 1 ASSI { 3204} (( segid " " and resid 143 and name HB )) (( segid " " and resid 145 and name HA )) 5.200 3.300 0.800 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.34514E-03 ppm1 4.093 ppm2 4.327 CV 1 ASSI { 3210} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 69 and name HB1 )) 4.600 2.700 1.400 peak 3210 spectrum 1 weight 0.11000E+01 volume 0.42459E-03 ppm1 1.042 ppm2 3.191 CV 1 ASSI { 3213} (( segid " " and resid 143 and name HB )) (( segid " " and resid 142 and name HA )) 6.000 6.000 0.000 peak 3213 spectrum 1 weight 0.11000E+01 volume 0.45217E-04 ppm1 4.063 ppm2 5.062 CV 1 ASSI { 3215} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 143 and name HG2%) 6.000 4.800 0.000 peak 3215 spectrum 1 weight 0.11000E+01 volume 0.26456E-03 ppm1 3.092 ppm2 1.044 CV 1 ASSI { 3217} (( segid " " and resid 143 and name HA )) (( segid " " and resid 69 and name HB2 )) 6.000 6.000 0.000 peak 3217 spectrum 1 weight 0.11000E+01 volume 0.34234E-04 ppm1 5.616 ppm2 3.098 CV 1 ASSI { 3220} (( segid " " and resid 143 and name HA )) (( segid " " and resid 69 and name HB1 )) 6.000 6.000 0.000 peak 3220 spectrum 1 weight 0.11000E+01 volume 0.32135E-04 ppm1 5.635 ppm2 3.204 CV 1 ASSI { 3223} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HB )) 3.700 1.700 1.700 peak 3223 spectrum 1 weight 0.11000E+01 volume 0.80883E-03 ppm1 5.623 ppm2 1.972 CV 1 ASSI { 3227} (( segid " " and resid 143 and name HA )) (( segid " " and resid 145 and name HG1 )) 6.000 5.300 0.000 peak 3227 spectrum 1 weight 0.11000E+01 volume 0.15032E-03 ppm1 5.614 ppm2 1.547 CV 1 ASSI { 3228} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 68 and name HA )) 4.300 2.300 1.700 peak 3228 spectrum 1 weight 0.11000E+01 volume 0.38593E-03 ppm1 1.588 ppm2 5.610 CV 1 ASSI { 3229} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 67 and name HB )) 5.200 3.400 0.800 peak 3229 spectrum 1 weight 0.11000E+01 volume 0.46754E-03 ppm1 1.700 ppm2 4.019 CV 1 ASSI { 3230} (( segid " " and resid 143 and name HA )) (( segid " " and resid 144 and name HA )) 4.800 2.900 1.200 peak 3230 spectrum 1 weight 0.11000E+01 volume 0.41164E-03 ppm1 5.617 ppm2 4.646 CV 1 ASSI { 3231} (( segid " " and resid 143 and name HB )) (( segid " " and resid 144 and name HA )) 4.900 3.000 1.100 peak 3231 spectrum 1 weight 0.11000E+01 volume 0.29235E-03 ppm1 4.088 ppm2 4.666 CV 1 ASSI { 3232} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 144 and name HA )) 3.800 3.800 2.200 peak 3232 spectrum 1 weight 0.11000E+01 volume 0.11612E-02 ppm1 1.056 ppm2 4.692 CV 1 ASSI { 3233} (( segid " " and resid 146 and name HA )) ( segid " " and resid 108 and name HG1%) 4.700 2.800 1.300 peak 3233 spectrum 1 weight 0.11000E+01 volume 0.17862E-03 ppm1 4.513 ppm2 0.928 CV 1 ASSI { 3236} (( segid " " and resid 146 and name HA )) (( segid " " and resid 147 and name HA )) 5.300 3.600 0.700 peak 3236 spectrum 1 weight 0.11000E+01 volume 0.20735E-03 ppm1 4.521 ppm2 5.007 CV 1 ASSI { 3247} (( segid " " and resid 146 and name HB )) ( segid " " and resid 108 and name HG2%) 4.300 4.300 1.700 peak 3247 spectrum 1 weight 0.11000E+01 volume 0.65845E-03 ppm1 4.060 ppm2 0.854 CV 1 ASSI { 3248} (( segid " " and resid 146 and name HB )) (( segid " " and resid 66 and name HB )) 6.000 5.600 0.000 peak 3248 spectrum 1 weight 0.11000E+01 volume 0.61445E-04 ppm1 4.057 ppm2 1.708 CV 1 ASSI { 3251} (( segid " " and resid 146 and name HB )) (( segid " " and resid 147 and name HA )) 4.600 2.600 1.400 peak 3251 spectrum 1 weight 0.11000E+01 volume 0.29269E-03 ppm1 4.057 ppm2 5.009 CV 1 ASSI { 3253} (( segid " " and resid 146 and name HB )) (( segid " " and resid 67 and name HA )) 5.800 4.200 0.200 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.12473E-03 ppm1 4.068 ppm2 5.296 CV 1 ASSI { 3259} ( segid " " and resid 146 and name HG2%) ( segid " " and resid 108 and name HG2%) 3.300 3.300 2.700 peak 3259 spectrum 1 weight 0.11000E+01 volume 0.49930E-02 ppm1 1.119 ppm2 0.846 CV 1 ASSI { 3261} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 145 and name HB1 )) 2.000 2.000 4.000 peak 3261 spectrum 1 weight 0.11000E+01 volume 0.12763E-02 ppm1 1.111 ppm2 1.886 CV 1 ASSI { 3266} (( segid " " and resid 146 and name HB )) (( segid " " and resid 145 and name HG2 )) 3.300 3.300 2.700 peak 3266 spectrum 1 weight 0.11000E+01 volume 0.72150E-04 ppm1 4.068 ppm2 1.434 CV 1 ASSI { 3268} (( segid " " and resid 146 and name HA )) (( segid " " and resid 144 and name HA )) 2.700 2.700 3.300 peak 3268 spectrum 1 weight 0.11000E+01 volume 0.21575E-03 ppm1 4.500 ppm2 4.684 CV 1 ASSI { 3270} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 66 and name HA )) 3.700 3.700 2.300 peak 3270 spectrum 1 weight 0.11000E+01 volume 0.21366E-02 ppm1 1.121 ppm2 5.131 CV 1 ASSI { 3274} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HB2 )) 6.000 5.900 0.000 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.76988E-04 ppm1 5.337 ppm2 2.479 CV 1 ASSI { 3276} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HA )) 5.300 3.500 0.700 peak 3276 spectrum 1 weight 0.11000E+01 volume 0.18496E-03 ppm1 5.352 ppm2 4.471 CV 1 ASSI { 3277} (( segid " " and resid 116 and name HA )) (( segid " " and resid 137 and name HA )) 4.600 2.600 1.400 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.56654E-03 ppm1 5.354 ppm2 4.639 CV 1 ASSI { 3281} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 98 and name HA )) 5.100 3.300 0.900 peak 3281 spectrum 1 weight 0.11000E+01 volume 0.31845E-03 ppm1 1.121 ppm2 3.844 CV 1 ASSI { 3282} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 137 and name HA )) 4.500 2.600 1.500 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.23617E-03 ppm1 1.123 ppm2 4.666 CV 1 ASSI { 3283} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 74 and name HA )) 3.400 1.500 1.500 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.75175E-03 ppm1 1.110 ppm2 4.763 CV 1 ASSI { 3284} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 117 and name HA )) 5.600 5.600 0.400 peak 3284 spectrum 1 weight 0.11000E+01 volume 0.12826E-03 ppm1 1.138 ppm2 4.471 CV 1 ASSI { 3288} (( segid " " and resid 112 and name HA )) ( segid " " and resid 50 and name HD1%) 4.800 2.900 1.200 peak 3288 spectrum 1 weight 0.11000E+01 volume 0.21560E-03 ppm1 5.190 ppm2 0.835 CV 1 ASSI { 3290} (( segid " " and resid 112 and name HA )) (( segid " " and resid 50 and name HA )) 6.000 4.900 0.000 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.17310E-03 ppm1 5.201 ppm2 4.453 CV 1 ASSI { 3291} (( segid " " and resid 112 and name HA )) (( segid " " and resid 48 and name HA )) 4.700 2.700 1.300 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.38013E-03 ppm1 5.188 ppm2 4.638 CV 1 ASSI { 3294} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 50 and name HD2%) 5.800 5.800 0.200 peak 3294 spectrum 1 weight 0.11000E+01 volume 0.43969E-03 ppm1 1.543 ppm2 0.759 CV 1 ASSI { 3295} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 142 and name HG2%) 2.900 2.900 3.100 peak 3295 spectrum 1 weight 0.11000E+01 volume 0.27304E-02 ppm1 1.535 ppm2 0.884 CV 1 ASSI { 3296} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 49 and name HG2%) 3.800 1.800 1.800 peak 3296 spectrum 1 weight 0.11000E+01 volume 0.96105E-03 ppm1 1.538 ppm2 1.044 CV 1 ASSI { 3297} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 47 and name HD1 )) 5.100 3.200 0.900 peak 3297 spectrum 1 weight 0.11000E+01 volume 0.43928E-03 ppm1 1.528 ppm2 1.783 CV 1 ASSI { 3299} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 106 and name HG1 )) 5.200 3.400 0.800 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.13918E-03 ppm1 1.530 ppm2 2.273 CV 1 ASSI { 3306} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 113 and name HA )) 5.000 3.100 1.000 peak 3306 spectrum 1 weight 0.11000E+01 volume 0.19112E-03 ppm1 1.538 ppm2 5.534 CV 1 ASSI { 3311} ( segid " " and resid 112 and name HB% ) ( segid " " and resid 111 and name HG2%) 5.300 5.300 0.700 peak 3311 spectrum 1 weight 0.11000E+01 volume 0.39062E-03 ppm1 1.544 ppm2 1.195 CV 1 ASSI { 3312} ( segid " " and resid 106 and name HE% ) ( segid " " and resid 112 and name HB% ) 2.900 2.900 3.100 peak 3312 spectrum 1 weight 0.11000E+01 volume 0.25413E-02 ppm1 1.972 ppm2 1.539 CV 1 ASSI { 3313} ( segid " " and resid 106 and name HE% ) (( segid " " and resid 112 and name HA )) 5.300 3.500 0.700 peak 3313 spectrum 1 weight 0.11000E+01 volume 0.27299E-03 ppm1 1.972 ppm2 5.196 CV 1 ASSI { 3314} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 99 and name HB1 )) 4.200 2.300 1.800 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.77777E-03 ppm1 2.584 ppm2 1.533 CV 1 ASSI { 3315} (( segid " " and resid 112 and name HA )) (( segid " " and resid 47 and name HE2 )) 6.000 6.000 0.000 peak 3315 spectrum 1 weight 0.11000E+01 volume 0.49584E-04 ppm1 5.178 ppm2 2.575 CV 1 OR { 3315} (( segid " " and resid 112 and name HA )) (( segid " " and resid 47 and name HE1 )) ASSI { 3317} (( segid " " and resid 112 and name HA )) (( segid " " and resid 110 and name HG2 )) 6.000 4.600 0.000 peak 3317 spectrum 1 weight 0.11000E+01 volume 0.55258E-04 ppm1 5.213 ppm2 2.729 CV 1 OR { 3317} (( segid " " and resid 112 and name HA )) (( segid " " and resid 110 and name HG1 )) ASSI { 3324} (( segid " " and resid 98 and name HA )) (( segid " " and resid 120 and name HA )) 5.100 3.200 0.900 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.41841E-03 ppm1 3.853 ppm2 4.739 CV 1 ASSI { 3327} (( segid " " and resid 98 and name HA )) (( segid " " and resid 45 and name HA )) 6.000 6.000 0.000 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.72599E-04 ppm1 3.830 ppm2 5.248 CV 1 ASSI { 3328} (( segid " " and resid 98 and name HA )) (( segid " " and resid 116 and name HA )) 6.000 5.800 0.000 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.11792E-03 ppm1 3.838 ppm2 5.370 CV 1 ASSI { 3329} (( segid " " and resid 98 and name HA )) ( segid " " and resid 120 and name HD% ) 5.000 3.100 1.000 peak 3329 spectrum 1 weight 0.11000E+01 volume 0.18181E-03 ppm1 3.840 ppm2 6.940 CV 1 ASSI { 3332} ( segid " " and resid 98 and name HB% ) ( segid " " and resid 101 and name HD1%) 3.500 3.500 2.500 peak 3332 spectrum 1 weight 0.11000E+01 volume 0.33701E-02 ppm1 1.137 ppm2 0.710 CV 1 ASSI { 3333} ( segid " " and resid 98 and name HB% ) ( segid " " and resid 45 and name HD1%) 2.600 2.600 3.400 peak 3333 spectrum 1 weight 0.11000E+01 volume 0.44593E-02 ppm1 1.131 ppm2 0.776 CV 1 ASSI { 3334} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 45 and name HG )) 3.900 1.900 1.900 peak 3334 spectrum 1 weight 0.11000E+01 volume 0.21635E-02 ppm1 1.131 ppm2 1.273 CV 1 ASSI { 3337} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 45 and name HA )) 5.500 3.800 0.500 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.24105E-03 ppm1 1.128 ppm2 5.221 CV 1 ASSI { 3338} ( segid " " and resid 98 and name HB% ) ( segid " " and resid 120 and name HD% ) 5.100 3.200 0.900 peak 3338 spectrum 1 weight 0.11000E+01 volume 0.41588E-03 ppm1 1.129 ppm2 6.938 CV 1 ASSI { 3341} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 98 and name HB% ) 4.000 4.000 2.000 peak 3341 spectrum 1 weight 0.11000E+01 volume 0.23333E-02 ppm1 0.779 ppm2 1.119 CV 1 ASSI { 3344} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 98 and name HA )) 4.800 2.900 1.200 peak 3344 spectrum 1 weight 0.11000E+01 volume 0.18324E-03 ppm1 2.267 ppm2 3.844 CV 1 OR { 3344} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 98 and name HA )) ASSI { 3345} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 97 and name HB1 )) 4.800 4.800 1.200 peak 3345 spectrum 1 weight 0.11000E+01 volume 0.57127E-03 ppm1 1.099 ppm2 2.235 CV 1 OR { 3345} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 97 and name HB2 )) ASSI { 3346} (( segid " " and resid 136 and name HA )) (( segid " " and resid 75 and name HB1 )) 6.000 4.600 0.000 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.14218E-03 ppm1 4.414 ppm2 2.027 CV 1 OR { 3346} (( segid " " and resid 136 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 3351} ( segid " " and resid 136 and name HB% ) ( segid " " and resid 132 and name HG2%) 2.600 2.600 3.400 peak 3351 spectrum 1 weight 0.11000E+01 volume 0.44844E-02 ppm1 1.271 ppm2 0.935 CV 1 ASSI { 3352} ( segid " " and resid 136 and name HB% ) (( segid " " and resid 138 and name HB1 )) 3.800 1.800 1.800 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.10295E-02 ppm1 1.269 ppm2 1.894 CV 1 OR { 3352} ( segid " " and resid 136 and name HB% ) (( segid " " and resid 138 and name HG )) ASSI { 3353} ( segid " " and resid 136 and name HB% ) (( segid " " and resid 75 and name HB1 )) 3.500 1.500 1.500 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.17524E-02 ppm1 1.269 ppm2 2.021 CV 1 OR { 3353} ( segid " " and resid 136 and name HB% ) (( segid " " and resid 75 and name HB2 )) ASSI { 3356} ( segid " " and resid 136 and name HB% ) (( segid " " and resid 118 and name HB1 )) 6.000 5.100 0.000 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.84953E-04 ppm1 1.270 ppm2 3.601 CV 1 ASSI { 3360} (( segid " " and resid 137 and name HA )) (( segid " " and resid 117 and name HB1 )) 6.000 5.800 0.000 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.62088E-04 ppm1 4.636 ppm2 2.974 CV 1 ASSI { 3361} (( segid " " and resid 137 and name HA )) (( segid " " and resid 118 and name HB2 )) 6.000 4.700 0.000 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.63500E-04 ppm1 4.626 ppm2 3.506 CV 1 ASSI { 3362} (( segid " " and resid 147 and name HA )) ( segid " " and resid 66 and name HG1%) 3.200 1.300 1.300 peak 3362 spectrum 1 weight 0.11000E+01 volume 0.74484E-03 ppm1 5.016 ppm2 0.679 CV 1 ASSI { 3364} (( segid " " and resid 147 and name HA )) (( segid " " and resid 66 and name HB )) 5.000 3.100 1.000 peak 3364 spectrum 1 weight 0.11000E+01 volume 0.19876E-03 ppm1 5.035 ppm2 1.698 CV 1 ASSI { 3366} (( segid " " and resid 147 and name HA )) (( segid " " and resid 65 and name HA )) 5.900 4.400 0.100 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.14698E-03 ppm1 5.014 ppm2 4.239 CV 1 ASSI { 3367} (( segid " " and resid 83 and name HA )) (( segid " " and resid 69 and name HE1 )) 6.000 4.600 0.000 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.61959E-04 ppm1 5.033 ppm2 7.783 CV 1 ASSI { 3370} (( segid " " and resid 147 and name HA )) ( segid " " and resid 66 and name HG2%) 3.200 3.200 2.800 peak 3370 spectrum 1 weight 0.11000E+01 volume 0.94222E-04 ppm1 5.018 ppm2 0.022 CV 1 ASSI { 3371} ( segid " " and resid 147 and name HB% ) ( segid " " and resid 66 and name HG2%) 2.400 2.400 3.600 peak 3371 spectrum 1 weight 0.11000E+01 volume 0.45660E-03 ppm1 1.127 ppm2 0.026 CV 1 ASSI { 3372} ( segid " " and resid 147 and name HB% ) ( segid " " and resid 144 and name HD2%) 3.500 3.500 2.500 peak 3372 spectrum 1 weight 0.11000E+01 volume 0.19206E-02 ppm1 1.132 ppm2 0.780 CV 1 ASSI { 3379} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HG2 )) 5.200 3.400 0.800 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.37927E-03 ppm1 4.590 ppm2 2.028 CV 1 OR { 3379} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HB2 )) ASSI { 3382} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HD1 )) 3.000 3.000 3.000 peak 3382 spectrum 1 weight 0.11000E+01 volume 0.13540E-02 ppm1 4.591 ppm2 3.641 CV 1 ASSI { 3383} (( segid " " and resid 32 and name HA )) (( segid " " and resid 31 and name HD1 )) 1.900 1.900 4.100 peak 3383 spectrum 1 weight 0.11000E+01 volume 0.19155E-02 ppm1 4.600 ppm2 3.812 CV 1 ASSI { 3386} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 29 and name HD1 )) 4.000 4.000 2.000 peak 3386 spectrum 1 weight 0.11000E+01 volume 0.26549E-02 ppm1 1.366 ppm2 3.641 CV 1 ASSI { 3400} (( segid " " and resid 39 and name HA )) (( segid " " and resid 46 and name HA )) 6.000 5.500 0.000 peak 3400 spectrum 1 weight 0.11000E+01 volume 0.13280E-03 ppm1 3.474 ppm2 5.941 CV 1 ASSI { 3402} (( segid " " and resid 39 and name HB )) ( segid " " and resid 40 and name HD2%) 5.000 3.200 1.000 peak 3402 spectrum 1 weight 0.11000E+01 volume 0.20855E-03 ppm1 1.647 ppm2 0.585 CV 1 ASSI { 3403} (( segid " " and resid 39 and name HB )) (( segid " " and resid 45 and name HG )) 3.200 3.200 2.800 peak 3403 spectrum 1 weight 0.11000E+01 volume 0.51188E-03 ppm1 1.636 ppm2 1.282 CV 1 ASSI { 3407} (( segid " " and resid 39 and name HB )) (( segid " " and resid 102 and name HB1 )) 6.000 6.000 0.000 peak 3407 spectrum 1 weight 0.11000E+01 volume 0.77588E-04 ppm1 1.643 ppm2 3.631 CV 1 ASSI { 3409} (( segid " " and resid 39 and name HB )) (( segid " " and resid 46 and name HA )) 5.200 3.400 0.800 peak 3409 spectrum 1 weight 0.11000E+01 volume 0.14645E-03 ppm1 1.625 ppm2 5.936 CV 1 ASSI { 3416} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 46 and name HG1 )) 5.600 5.600 0.400 peak 3416 spectrum 1 weight 0.11000E+01 volume 0.97539E-03 ppm1 0.985 ppm2 1.419 CV 1 ASSI { 3417} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 37 and name HG )) 4.500 2.500 1.500 peak 3417 spectrum 1 weight 0.11000E+01 volume 0.25037E-03 ppm1 0.998 ppm2 1.500 CV 1 ASSI { 3418} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 37 and name HB1 )) 4.100 2.200 1.900 peak 3418 spectrum 1 weight 0.11000E+01 volume 0.24139E-03 ppm1 0.990 ppm2 1.947 CV 1 ASSI { 3419} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 102 and name HB1 )) 6.000 6.000 0.000 peak 3419 spectrum 1 weight 0.11000E+01 volume 0.74356E-04 ppm1 0.986 ppm2 3.609 CV 1 ASSI { 3420} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 46 and name HA )) 6.000 5.000 0.000 peak 3420 spectrum 1 weight 0.11000E+01 volume 0.15167E-03 ppm1 0.985 ppm2 5.940 CV 1 ASSI { 3422} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 40 and name HD2%) 3.600 1.700 1.700 peak 3422 spectrum 1 weight 0.11000E+01 volume 0.82396E-03 ppm1 0.781 ppm2 0.590 CV 1 ASSI { 3423} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 45 and name HG )) 4.400 2.400 1.600 peak 3423 spectrum 1 weight 0.11000E+01 volume 0.51353E-03 ppm1 0.784 ppm2 1.304 CV 1 ASSI { 3425} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 37 and name HG )) 2.500 2.500 3.500 peak 3425 spectrum 1 weight 0.11000E+01 volume 0.34859E-03 ppm1 0.785 ppm2 1.496 CV 1 ASSI { 3426} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 102 and name HB1 )) 6.000 6.000 0.000 peak 3426 spectrum 1 weight 0.11000E+01 volume 0.15143E-03 ppm1 0.788 ppm2 3.634 CV 1 ASSI { 3427} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 98 and name HA )) 6.000 5.100 0.000 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.62559E-04 ppm1 0.795 ppm2 3.819 CV 1 ASSI { 3428} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 101 and name HA )) 5.600 4.000 0.400 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.27811E-03 ppm1 0.803 ppm2 4.268 CV 1 ASSI { 3429} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 102 and name HA )) 5.500 3.800 0.500 peak 3429 spectrum 1 weight 0.11000E+01 volume 0.24995E-03 ppm1 0.804 ppm2 4.476 CV 1 ASSI { 3431} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 38 and name HA )) 5.200 5.200 0.800 peak 3431 spectrum 1 weight 0.11000E+01 volume 0.67661E-03 ppm1 0.789 ppm2 4.770 CV 1 ASSI { 3433} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 45 and name HA )) 6.000 6.000 0.000 peak 3433 spectrum 1 weight 0.11000E+01 volume 0.23505E-03 ppm1 0.789 ppm2 5.216 CV 1 ASSI { 3434} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 46 and name HA )) 6.000 6.000 0.000 peak 3434 spectrum 1 weight 0.11000E+01 volume 0.12401E-03 ppm1 0.792 ppm2 5.942 CV 1 ASSI { 3435} ( segid " " and resid 39 and name HD1%) ( segid " " and resid 45 and name HD2%) 3.500 1.600 1.600 peak 3435 spectrum 1 weight 0.11000E+01 volume 0.14399E-02 ppm1 0.761 ppm2 0.518 CV 1 ASSI { 3436} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 37 and name HG )) 2.200 2.200 3.800 peak 3436 spectrum 1 weight 0.11000E+01 volume 0.77710E-03 ppm1 0.765 ppm2 1.492 CV 1 ASSI { 3437} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 47 and name HE1 )) 5.700 4.100 0.300 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.21170E-03 ppm1 0.751 ppm2 2.620 CV 1 OR { 3437} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 47 and name HE2 )) ASSI { 3438} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 102 and name HB2 )) 3.500 1.500 1.500 peak 3438 spectrum 1 weight 0.11000E+01 volume 0.67025E-03 ppm1 0.761 ppm2 3.546 CV 1 ASSI { 3439} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 102 and name HB1 )) 3.900 1.900 1.900 peak 3439 spectrum 1 weight 0.11000E+01 volume 0.69296E-03 ppm1 0.764 ppm2 3.622 CV 1 ASSI { 3442} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 38 and name HA )) 5.000 5.000 1.000 peak 3442 spectrum 1 weight 0.11000E+01 volume 0.11356E-02 ppm1 0.759 ppm2 4.770 CV 1 ASSI { 3443} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 45 and name HA )) 5.800 5.800 0.200 peak 3443 spectrum 1 weight 0.11000E+01 volume 0.25886E-03 ppm1 0.775 ppm2 5.220 CV 1 ASSI { 3444} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 46 and name HA )) 4.500 2.600 1.500 peak 3444 spectrum 1 weight 0.11000E+01 volume 0.51741E-03 ppm1 0.758 ppm2 5.940 CV 1 ASSI { 3447} ( segid " " and resid 39 and name HD1%) ( segid " " and resid 40 and name HD2%) 6.000 6.000 0.000 peak 3447 spectrum 1 weight 0.11000E+01 volume 0.18545E-03 ppm1 0.741 ppm2 0.584 CV 1 ASSI { 3448} (( segid " " and resid 39 and name HA )) (( segid " " and resid 45 and name HG )) 6.000 6.000 0.000 peak 3448 spectrum 1 weight 0.11000E+01 volume 0.30402E-04 ppm1 3.451 ppm2 1.282 CV 1 ASSI { 3451} (( segid " " and resid 39 and name HB )) (( segid " " and resid 45 and name HA )) 6.000 4.800 0.000 peak 3451 spectrum 1 weight 0.11000E+01 volume 0.11538E-03 ppm1 1.612 ppm2 5.221 CV 1 ASSI { 3453} (( segid " " and resid 39 and name HB )) (( segid " " and resid 38 and name HA )) 6.000 4.800 0.000 peak 3453 spectrum 1 weight 0.11000E+01 volume 0.10247E-03 ppm1 1.632 ppm2 4.773 CV 1 ASSI { 3455} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 121 and name HA )) 3.000 1.100 1.100 peak 3455 spectrum 1 weight 0.11000E+01 volume 0.22217E-02 ppm1 0.752 ppm2 4.466 CV 1 ASSI { 3456} (( segid " " and resid 39 and name HB )) (( segid " " and resid 102 and name HA )) 6.000 6.000 0.000 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.32029E-04 ppm1 1.659 ppm2 4.463 CV 1 ASSI { 3460} (( segid " " and resid 96 and name HA )) (( segid " " and resid 121 and name HA )) 5.300 3.500 0.700 peak 3460 spectrum 1 weight 0.11000E+01 volume 0.50554E-03 ppm1 4.015 ppm2 4.454 CV 1 ASSI { 3462} (( segid " " and resid 96 and name HA )) (( segid " " and resid 120 and name HA )) 4.700 2.700 1.300 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.44863E-03 ppm1 4.018 ppm2 4.746 CV 1 ASSI { 3463} (( segid " " and resid 96 and name HA )) ( segid " " and resid 122 and name HD% ) 5.900 4.400 0.100 peak 3463 spectrum 1 weight 0.11000E+01 volume 0.11000E-03 ppm1 4.010 ppm2 7.123 CV 1 ASSI { 3464} (( segid " " and resid 96 and name HB )) (( segid " " and resid 121 and name HB2 )) 5.800 4.300 0.200 peak 3464 spectrum 1 weight 0.11000E+01 volume 0.16813E-03 ppm1 2.086 ppm2 2.650 CV 1 ASSI { 3472} (( segid " " and resid 96 and name HG12)) (( segid " " and resid 100 and name HN )) 6.000 5.000 0.000 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.11777E-03 ppm1 1.160 ppm2 7.179 CV 1 ASSI { 3477} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 95 and name HB )) 4.500 2.500 1.500 peak 3477 spectrum 1 weight 0.11000E+01 volume 0.22368E-03 ppm1 0.284 ppm2 1.809 CV 1 ASSI { 3478} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 121 and name HB2 )) 5.700 4.100 0.300 peak 3478 spectrum 1 weight 0.11000E+01 volume 0.29673E-03 ppm1 0.287 ppm2 2.649 CV 1 ASSI { 3479} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 121 and name HA )) 3.000 1.100 1.100 peak 3479 spectrum 1 weight 0.11000E+01 volume 0.14498E-02 ppm1 0.278 ppm2 4.462 CV 1 ASSI { 3486} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 121 and name HB2 )) 4.800 2.900 1.200 peak 3486 spectrum 1 weight 0.11000E+01 volume 0.29295E-03 ppm1 0.750 ppm2 2.645 CV 1 ASSI { 3487} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 121 and name HB1 )) 5.000 3.100 1.000 peak 3487 spectrum 1 weight 0.11000E+01 volume 0.20799E-03 ppm1 0.734 ppm2 3.259 CV 1 ASSI { 3491} ( segid " " and resid 96 and name HD1%) ( segid " " and resid 122 and name HE% ) 4.100 2.100 1.900 peak 3491 spectrum 1 weight 0.11000E+01 volume 0.70360E-03 ppm1 0.753 ppm2 6.636 CV 1 ASSI { 3495} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 121 and name HB1 )) 6.000 4.700 0.000 peak 3495 spectrum 1 weight 0.11000E+01 volume 0.96705E-04 ppm1 0.288 ppm2 3.263 CV 1 ASSI { 3498} (( segid " " and resid 96 and name HB )) (( segid " " and resid 121 and name HB1 )) 6.000 6.000 0.000 peak 3498 spectrum 1 weight 0.11000E+01 volume 0.32714E-04 ppm1 2.095 ppm2 3.272 CV 1 ASSI { 3502} (( segid " " and resid 96 and name HA )) ( segid " " and resid 122 and name HE% ) 6.000 4.900 0.000 peak 3502 spectrum 1 weight 0.11000E+01 volume 0.98889E-04 ppm1 4.000 ppm2 6.647 CV 1 ASSI { 3503} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 95 and name HB )) 3.700 1.700 1.700 peak 3503 spectrum 1 weight 0.11000E+01 volume 0.27147E-02 ppm1 0.761 ppm2 1.807 CV 1 ASSI { 3504} (( segid " " and resid 132 and name HA )) (( segid " " and resid 80 and name HB )) 4.900 3.000 1.100 peak 3504 spectrum 1 weight 0.11000E+01 volume 0.42922E-03 ppm1 4.106 ppm2 2.021 CV 1 ASSI { 3506} (( segid " " and resid 132 and name HA )) (( segid " " and resid 130 and name HD2 )) 3.800 1.800 1.800 peak 3506 spectrum 1 weight 0.11000E+01 volume 0.12439E-02 ppm1 4.108 ppm2 3.391 CV 1 ASSI { 3508} (( segid " " and resid 132 and name HA )) ( segid " " and resid 131 and name HE% ) 5.900 4.300 0.100 peak 3508 spectrum 1 weight 0.11000E+01 volume 0.77460E-04 ppm1 4.100 ppm2 6.785 CV 1 ASSI { 3509} (( segid " " and resid 132 and name HB )) ( segid " " and resid 136 and name HB% ) 5.900 4.300 0.100 peak 3509 spectrum 1 weight 0.11000E+01 volume 0.13015E-03 ppm1 1.146 ppm2 1.279 CV 1 ASSI { 3512} (( segid " " and resid 132 and name HB )) (( segid " " and resid 122 and name HA )) 5.700 4.100 0.300 peak 3512 spectrum 1 weight 0.11000E+01 volume 0.12244E-03 ppm1 1.151 ppm2 4.508 CV 1 ASSI { 3517} (( segid " " and resid 132 and name HG12)) (( segid " " and resid 127 and name HB1 )) 4.500 2.500 1.500 peak 3517 spectrum 1 weight 0.11000E+01 volume 0.27226E-03 ppm1 0.726 ppm2 3.002 CV 1 ASSI { 3519} (( segid " " and resid 132 and name HG12)) ( segid " " and resid 122 and name HE% ) 6.000 4.600 0.000 peak 3519 spectrum 1 weight 0.11000E+01 volume 0.12105E-03 ppm1 0.728 ppm2 6.637 CV 1 ASSI { 3521} (( segid " " and resid 132 and name HG12)) ( segid " " and resid 122 and name HD% ) 5.600 3.900 0.400 peak 3521 spectrum 1 weight 0.11000E+01 volume 0.97352E-04 ppm1 0.725 ppm2 7.108 CV 1 ASSI { 3522} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 80 and name HB )) 5.000 5.000 1.000 peak 3522 spectrum 1 weight 0.11000E+01 volume 0.58891E-03 ppm1 0.936 ppm2 2.020 CV 1 ASSI { 3526} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 130 and name HD2 )) 4.900 4.900 1.100 peak 3526 spectrum 1 weight 0.11000E+01 volume 0.86022E-03 ppm1 0.934 ppm2 3.388 CV 1 ASSI { 3527} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 126 and name HA2 )) 4.600 2.700 1.400 peak 3527 spectrum 1 weight 0.11000E+01 volume 0.32177E-03 ppm1 0.932 ppm2 3.508 CV 1 ASSI { 3528} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 126 and name HA1 )) 2.800 2.800 3.200 peak 3528 spectrum 1 weight 0.11000E+01 volume 0.19361E-03 ppm1 0.936 ppm2 3.825 CV 1 ASSI { 3530} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 74 and name HA )) 4.300 2.300 1.700 peak 3530 spectrum 1 weight 0.10000E+01 volume 0.52033E-03 ppm1 0.926 ppm2 4.763 CV 1 ASSI { 3531} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 138 and name HA )) 6.000 4.500 0.000 peak 3531 spectrum 1 weight 0.11000E+01 volume 0.99301E-04 ppm1 0.928 ppm2 5.253 CV 1 ASSI { 3532} ( segid " " and resid 132 and name HG2%) ( segid " " and resid 122 and name HE% ) 5.500 3.800 0.500 peak 3532 spectrum 1 weight 0.11000E+01 volume 0.28168E-03 ppm1 0.936 ppm2 6.635 CV 1 ASSI { 3535} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 130 and name HG2 )) 3.400 1.400 1.400 peak 3535 spectrum 1 weight 0.11000E+01 volume 0.56410E-03 ppm1 0.456 ppm2 1.453 CV 1 ASSI { 3536} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 130 and name HG1 )) 4.900 3.000 1.100 peak 3536 spectrum 1 weight 0.11000E+01 volume 0.53220E-03 ppm1 0.456 ppm2 1.766 CV 1 ASSI { 3539} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 130 and name HD2 )) 4.200 2.200 1.800 peak 3539 spectrum 1 weight 0.11000E+01 volume 0.26736E-03 ppm1 0.459 ppm2 3.389 CV 1 ASSI { 3540} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 130 and name HD1 )) 5.400 3.700 0.600 peak 3540 spectrum 1 weight 0.11000E+01 volume 0.16153E-03 ppm1 0.457 ppm2 3.505 CV 1 ASSI { 3542} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 127 and name HA )) 2.900 2.900 3.100 peak 3542 spectrum 1 weight 0.11000E+01 volume 0.15445E-03 ppm1 0.453 ppm2 4.505 CV 1 ASSI { 3543} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 74 and name HA )) 4.100 2.100 1.900 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.10261E-02 ppm1 0.458 ppm2 4.744 CV 1 ASSI { 3544} ( segid " " and resid 132 and name HD1%) (( segid " " and resid 138 and name HA )) 6.000 6.000 0.000 peak 3544 spectrum 1 weight 0.11000E+01 volume 0.15128E-03 ppm1 0.458 ppm2 5.256 CV 1 ASSI { 3556} (( segid " " and resid 132 and name HA )) (( segid " " and resid 127 and name HB1 )) 6.000 5.700 0.000 peak 3556 spectrum 1 weight 0.11000E+01 volume 0.45303E-04 ppm1 4.121 ppm2 3.023 CV 1 ASSI { 3562} (( segid " " and resid 132 and name HB )) (( segid " " and resid 126 and name HA1 )) 3.400 3.400 2.600 peak 3562 spectrum 1 weight 0.11000E+01 volume 0.56521E-04 ppm1 1.151 ppm2 3.827 CV 1 ASSI { 3564} (( segid " " and resid 132 and name HG11)) (( segid " " and resid 130 and name HD1 )) 5.400 5.400 0.600 peak 3564 spectrum 1 weight 0.11000E+01 volume 0.18297E-03 ppm1 0.963 ppm2 3.470 CV 1 ASSI { 3565} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 132 and name HB )) 6.000 4.500 0.000 peak 3565 spectrum 1 weight 0.11000E+01 volume 0.55900E-04 ppm1 3.511 ppm2 1.151 CV 1 ASSI { 3569} (( segid " " and resid 132 and name HB )) (( segid " " and resid 130 and name HD2 )) 6.000 6.000 0.000 peak 3569 spectrum 1 weight 0.11000E+01 volume 0.63629E-04 ppm1 1.157 ppm2 3.387 CV 1 ASSI { 3570} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 74 and name HB2 )) 2.500 2.500 3.500 peak 3570 spectrum 1 weight 0.11000E+01 volume 0.38843E-03 ppm1 0.911 ppm2 1.896 CV 1 ASSI { 3574} (( segid " " and resid 132 and name HB )) ( segid " " and resid 131 and name HE% ) 6.000 5.600 0.000 peak 3574 spectrum 1 weight 0.11000E+01 volume 0.44146E-04 ppm1 1.124 ppm2 6.784 CV 1 ASSI { 3581} (( segid " " and resid 36 and name HA )) (( segid " " and resid 46 and name HH12)) 6.000 5.700 0.000 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.92553E-04 ppm1 4.689 ppm2 7.018 CV 1 OR { 3581} (( segid " " and resid 36 and name HA )) (( segid " " and resid 46 and name HH11)) OR { 3581} (( segid " " and resid 36 and name HA )) (( segid " " and resid 46 and name HH21)) ASSI { 3583} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 46 and name HB1 )) 6.000 4.900 0.000 peak 3583 spectrum 1 weight 0.11000E+01 volume 0.15153E-03 ppm1 3.069 ppm2 1.830 CV 1 ASSI { 3584} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 46 and name HB1 )) 3.700 1.700 1.700 peak 3584 spectrum 1 weight 0.11000E+01 volume 0.29776E-03 ppm1 2.879 ppm2 1.770 CV 1 OR { 3584} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 46 and name HB2 )) ASSI { 3586} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 36 and name HB1 )) 6.000 4.900 0.000 peak 3586 spectrum 1 weight 0.11000E+01 volume 0.20821E-03 ppm1 1.799 ppm2 3.059 CV 1 OR { 3586} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 36 and name HB1 )) ASSI { 3587} (( segid " " and resid 36 and name HA )) (( segid " " and resid 46 and name HB1 )) 6.000 6.000 0.000 peak 3587 spectrum 1 weight 0.11000E+01 volume 0.51918E-04 ppm1 4.720 ppm2 1.810 CV 1 ASSI { 3589} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HD1 )) 5.800 5.800 0.200 peak 3589 spectrum 1 weight 0.11000E+01 volume 0.10283E-03 ppm1 4.298 ppm2 7.278 CV 1 ASSI { 3597} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 90 and name HA )) 6.000 4.800 0.000 peak 3597 spectrum 1 weight 0.11000E+01 volume 0.10484E-03 ppm1 3.145 ppm2 4.357 CV 1 OR { 3597} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 90 and name HA )) ASSI { 3598} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 89 and name HA )) 4.900 3.000 1.100 peak 3598 spectrum 1 weight 0.11000E+01 volume 0.27636E-03 ppm1 3.149 ppm2 4.628 CV 1 ASSI { 3600} (( segid " " and resid 88 and name HB1 )) (( segid " " and resid 87 and name HN )) 3.200 3.200 2.800 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.90434E-04 ppm1 3.131 ppm2 8.370 CV 1 ASSI { 3606} (( segid " " and resid 120 and name HA )) (( segid " " and resid 97 and name HB2 )) 5.400 3.600 0.600 peak 3606 spectrum 1 weight 0.11000E+01 volume 0.11030E-03 ppm1 4.724 ppm2 2.293 CV 1 OR { 3606} (( segid " " and resid 120 and name HA )) (( segid " " and resid 97 and name HB1 )) ASSI { 3618} (( segid " " and resid 119 and name HE1 )) ( segid " " and resid 120 and name HE% ) 4.900 3.000 1.100 peak 3618 spectrum 1 weight 0.11000E+01 volume 0.76886E-03 ppm1 2.769 ppm2 6.705 CV 1 OR { 3618} (( segid " " and resid 119 and name HE2 )) ( segid " " and resid 120 and name HE% ) ASSI { 3622} (( segid " " and resid 122 and name HA )) (( segid " " and resid 121 and name HB1 )) 6.000 5.500 0.000 peak 3622 spectrum 1 weight 0.11000E+01 volume 0.65920E-04 ppm1 4.494 ppm2 3.231 CV 1 ASSI { 3623} (( segid " " and resid 122 and name HA )) (( segid " " and resid 124 and name HD2 )) 6.000 4.900 0.000 peak 3623 spectrum 1 weight 0.11000E+01 volume 0.78722E-04 ppm1 4.498 ppm2 3.559 CV 1 ASSI { 3624} (( segid " " and resid 122 and name HA )) (( segid " " and resid 124 and name HD1 )) 6.000 6.000 0.000 peak 3624 spectrum 1 weight 0.11000E+01 volume 0.42883E-04 ppm1 4.505 ppm2 3.876 CV 1 ASSI { 3631} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 138 and name HD2%) 6.000 6.000 0.000 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.15498E-03 ppm1 3.070 ppm2 0.856 CV 1 ASSI { 3632} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 132 and name HG2%) 6.000 6.000 0.000 peak 3632 spectrum 1 weight 0.11000E+01 volume 0.12017E-03 ppm1 3.085 ppm2 0.938 CV 1 ASSI { 3633} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 132 and name HB )) 6.000 6.000 0.000 peak 3633 spectrum 1 weight 0.11000E+01 volume 0.62259E-04 ppm1 3.080 ppm2 1.188 CV 1 ASSI { 3635} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 121 and name HB1 )) 5.600 3.900 0.400 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.32862E-03 ppm1 3.071 ppm2 3.267 CV 1 ASSI { 3640} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 132 and name HG2%) 6.000 4.400 0.000 peak 3640 spectrum 1 weight 0.11000E+01 volume 0.10621E-03 ppm1 2.730 ppm2 0.930 CV 1 ASSI { 3641} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 132 and name HG11)) 4.400 4.400 1.600 peak 3641 spectrum 1 weight 0.11000E+01 volume 0.41171E-03 ppm1 2.716 ppm2 1.050 CV 1 ASSI { 3642} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 125 and name HG2 )) 5.400 3.700 0.600 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.61540E-03 ppm1 2.717 ppm2 2.423 CV 1 ASSI { 3659} (( segid " " and resid 131 and name HB1 )) ( segid " " and resid 131 and name HE% ) 6.000 6.000 0.000 peak 3659 spectrum 1 weight 0.11000E+01 volume 0.48599E-04 ppm1 2.983 ppm2 6.805 CV 1 ASSI { 3663} (( segid " " and resid 76 and name HB2 )) ( segid " " and resid 74 and name HD1%) 6.000 5.600 0.000 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.46737E-04 ppm1 2.857 ppm2 1.164 CV 1 ASSI { 3667} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 131 and name HE% ) 6.000 5.600 0.000 peak 3667 spectrum 1 weight 0.11000E+01 volume 0.10287E-03 ppm1 2.860 ppm2 6.799 CV 1 ASSI { 3673} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 127 and name HN )) 6.000 6.000 0.000 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.81164E-04 ppm1 2.880 ppm2 8.470 CV 1 ASSI { 3675} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 131 and name HA )) 2.800 2.800 3.200 peak 3675 spectrum 1 weight 0.11000E+01 volume 0.20123E-03 ppm1 0.915 ppm2 4.400 CV 1 ASSI { 3679} (( segid " " and resid 69 and name HA )) (( segid " " and resid 67 and name HB )) 4.900 3.000 1.100 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.83300E-03 ppm1 5.384 ppm2 3.986 CV 1 ASSI { 3687} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 145 and name HE2 )) 4.000 2.000 2.000 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.45930E-03 ppm1 3.172 ppm2 2.995 CV 1 OR { 3687} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 145 and name HE1 )) ASSI { 3690} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 84 and name HA )) 6.000 4.700 0.000 peak 3690 spectrum 1 weight 0.11000E+01 volume 0.77545E-04 ppm1 3.192 ppm2 4.417 CV 1 ASSI { 3691} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 144 and name HA )) 6.000 4.500 0.000 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.16695E-03 ppm1 3.194 ppm2 4.646 CV 1 ASSI { 3694} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 68 and name HA )) 6.000 6.000 0.000 peak 3694 spectrum 1 weight 0.11000E+01 volume 0.10437E-03 ppm1 3.188 ppm2 5.535 CV 1 ASSI { 3699} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 145 and name HD1 )) 5.300 3.500 0.700 peak 3699 spectrum 1 weight 0.11000E+01 volume 0.13719E-03 ppm1 3.090 ppm2 1.781 CV 1 ASSI { 3702} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 67 and name HB )) 6.000 5.400 0.000 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.13899E-03 ppm1 3.102 ppm2 3.981 CV 1 ASSI { 3711} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 84 and name HA )) 6.000 5.100 0.000 peak 3711 spectrum 1 weight 0.11000E+01 volume 0.17149E-04 ppm1 3.088 ppm2 4.425 CV 1 ASSI { 3713} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 69 and name HD2 )) 3.500 3.500 2.500 peak 3713 spectrum 1 weight 0.11000E+01 volume 0.46652E-04 ppm1 2.324 ppm2 6.906 CV 1 ASSI { 3715} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 69 and name HD2 )) 5.600 3.900 0.400 peak 3715 spectrum 1 weight 0.11000E+01 volume 0.27366E-03 ppm1 2.214 ppm2 6.924 CV 1 ASSI { 3716} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 69 and name HD2 )) 6.000 4.700 0.000 peak 3716 spectrum 1 weight 0.11000E+01 volume 0.14933E-03 ppm1 2.205 ppm2 6.919 CV 1 ASSI { 3721} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 69 and name HE1 )) 2.500 2.500 3.500 peak 3721 spectrum 1 weight 0.11000E+01 volume 0.42896E-03 ppm1 1.989 ppm2 7.746 CV 1 OR { 3721} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 69 and name HE1 )) ASSI { 3722} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 69 and name HE1 )) 6.000 6.000 0.000 peak 3722 spectrum 1 weight 0.11000E+01 volume 0.22711E-03 ppm1 2.125 ppm2 7.782 CV 1 ASSI { 3728} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 66 and name HG2%) 6.000 6.000 0.000 peak 3728 spectrum 1 weight 0.11000E+01 volume 0.56928E-04 ppm1 1.634 ppm2 0.008 CV 1 ASSI { 3729} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 66 and name HG1%) 4.200 2.200 1.800 peak 3729 spectrum 1 weight 0.11000E+01 volume 0.20054E-03 ppm1 1.651 ppm2 0.667 CV 1 ASSI { 3737} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HB2 )) 3.800 1.800 1.800 peak 3737 spectrum 1 weight 0.11000E+01 volume 0.32922E-03 ppm1 2.150 ppm2 1.606 CV 1 ASSI { 3738} (( segid " " and resid 64 and name HB1 )) ( segid " " and resid 147 and name HB% ) 5.100 3.200 0.900 peak 3738 spectrum 1 weight 0.11000E+01 volume 0.16702E-03 ppm1 2.235 ppm2 1.139 CV 1 ASSI { 3739} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 66 and name HG2%) 6.000 6.000 0.000 peak 3739 spectrum 1 weight 0.11000E+01 volume 0.70502E-04 ppm1 2.141 ppm2 0.012 CV 1 ASSI { 3742} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 147 and name HB% ) 6.000 4.500 0.000 peak 3742 spectrum 1 weight 0.11000E+01 volume 0.80286E-04 ppm1 2.473 ppm2 1.150 CV 1 ASSI { 3743} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 149 and name HA )) 4.000 2.000 2.000 peak 3743 spectrum 1 weight 0.11000E+01 volume 0.12623E-03 ppm1 2.185 ppm2 4.859 CV 1 ASSI { 3744} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 149 and name HA )) 6.000 5.500 0.000 peak 3744 spectrum 1 weight 0.11000E+01 volume 0.13358E-03 ppm1 1.639 ppm2 4.843 CV 1 ASSI { 3746} (( segid " " and resid 149 and name HA )) (( segid " " and resid 64 and name HG2 )) 5.800 4.200 0.200 peak 3746 spectrum 1 weight 0.11000E+01 volume 0.18228E-03 ppm1 4.823 ppm2 2.154 CV 1 ASSI { 3749} (( segid " " and resid 97 and name HA )) ( segid " " and resid 120 and name HD% ) 6.000 5.200 0.000 peak 3749 spectrum 1 weight 0.11000E+01 volume 0.10645E-03 ppm1 4.031 ppm2 6.939 CV 1 ASSI { 3758} (( segid " " and resid 97 and name HG1 )) ( segid " " and resid 120 and name HE% ) 6.000 5.000 0.000 peak 3758 spectrum 1 weight 0.11000E+01 volume 0.89128E-04 ppm1 2.656 ppm2 6.708 CV 1 ASSI { 3764} (( segid " " and resid 97 and name HG2 )) ( segid " " and resid 120 and name HE% ) 5.300 3.500 0.700 peak 3764 spectrum 1 weight 0.11000E+01 volume 0.96602E-04 ppm1 2.471 ppm2 6.715 CV 1 ASSI { 3768} (( segid " " and resid 97 and name HA )) (( segid " " and resid 101 and name HG )) 5.000 3.200 1.000 peak 3768 spectrum 1 weight 0.11000E+01 volume 0.13831E-03 ppm1 4.030 ppm2 1.807 CV 1 ASSI { 3773} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 122 and name HB1 )) 6.000 5.100 0.000 peak 3773 spectrum 1 weight 0.11000E+01 volume 0.11028E-03 ppm1 2.261 ppm2 3.106 CV 1 ASSI { 3778} (( segid " " and resid 125 and name HB2 )) ( segid " " and resid 122 and name HD% ) 5.200 5.200 0.800 peak 3778 spectrum 1 weight 0.11000E+01 volume 0.10849E-03 ppm1 2.133 ppm2 7.154 CV 1 ASSI { 3783} (( segid " " and resid 125 and name HG1 )) (( segid " " and resid 122 and name HA )) 4.700 2.800 1.300 peak 3783 spectrum 1 weight 0.11000E+01 volume 0.14605E-03 ppm1 2.565 ppm2 4.529 CV 1 ASSI { 3786} (( segid " " and resid 125 and name HG2 )) ( segid " " and resid 122 and name HD% ) 6.000 6.000 0.000 peak 3786 spectrum 1 weight 0.11000E+01 volume 0.96237E-04 ppm1 2.425 ppm2 7.151 CV 1 ASSI { 3788} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 129 and name HA )) 4.500 2.600 1.500 peak 3788 spectrum 1 weight 0.11000E+01 volume 0.49909E-03 ppm1 2.365 ppm2 4.507 CV 1 ASSI { 3788} (( segid " " and resid 125 and name HG2 )) (( segid " " and resid 122 and name HA )) 4.800 4.800 1.200 peak 3788 spectrum 1 weight 0.11000E+01 volume 0.49909E-03 ppm1 2.365 ppm2 4.507 CV 1 ASSI { 3789} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 122 and name HA )) 6.000 6.000 0.000 peak 3789 spectrum 1 weight 0.11000E+01 volume 0.42134E-04 ppm1 2.278 ppm2 4.523 CV 1 ASSI { 3790} (( segid " " and resid 125 and name HG1 )) (( segid " " and resid 122 and name HB1 )) 6.000 5.100 0.000 peak 3790 spectrum 1 weight 0.11000E+01 volume 0.60418E-04 ppm1 2.538 ppm2 3.104 CV 1 ASSI { 3797} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 70 and name HD2%) 4.800 4.800 1.200 peak 3797 spectrum 1 weight 0.11000E+01 volume 0.63897E-03 ppm1 2.112 ppm2 0.806 CV 1 OR { 3797} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 70 and name HD2%) ASSI { 3801} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 79 and name HD1 )) 4.200 2.200 1.800 peak 3801 spectrum 1 weight 0.11000E+01 volume 0.22463E-03 ppm1 2.147 ppm2 3.245 CV 1 ASSI { 3802} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 79 and name HD1 )) 4.200 2.200 1.800 peak 3802 spectrum 1 weight 0.11000E+01 volume 0.29586E-03 ppm1 2.045 ppm2 3.244 CV 1 ASSI { 3803} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 84 and name HD2 )) 5.100 5.100 0.900 peak 3803 spectrum 1 weight 0.11000E+01 volume 0.44663E-03 ppm1 2.033 ppm2 3.631 CV 1 ASSI { 3804} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 84 and name HD1 )) 5.300 3.600 0.700 peak 3804 spectrum 1 weight 0.11000E+01 volume 0.58516E-03 ppm1 2.032 ppm2 3.793 CV 1 ASSI { 3806} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HE22)) 5.700 5.700 0.300 peak 3806 spectrum 1 weight 0.11000E+01 volume 0.87929E-04 ppm1 2.046 ppm2 6.615 CV 1 ASSI { 3808} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 79 and name HD1 )) 6.000 5.200 0.000 peak 3808 spectrum 1 weight 0.11000E+01 volume 0.15644E-03 ppm1 2.336 ppm2 3.235 CV 1 ASSI { 3810} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 70 and name HA )) 6.000 4.600 0.000 peak 3810 spectrum 1 weight 0.11000E+01 volume 0.57934E-04 ppm1 2.337 ppm2 5.403 CV 1 ASSI { 3813} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 69 and name HE1 )) 6.000 6.000 0.000 peak 3813 spectrum 1 weight 0.11000E+01 volume 0.10298E-03 ppm1 2.347 ppm2 7.787 CV 1 ASSI { 3816} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 71 and name HG2 )) 4.800 2.900 1.200 peak 3816 spectrum 1 weight 0.11000E+01 volume 0.73229E-03 ppm1 3.241 ppm2 2.198 CV 1 ASSI { 3820} (( segid " " and resid 75 and name HA )) (( segid " " and resid 137 and name HA )) 4.300 2.300 1.700 peak 3820 spectrum 1 weight 0.10000E+01 volume 0.11975E-02 ppm1 3.983 ppm2 4.664 CV 1 ASSI { 3822} (( segid " " and resid 75 and name HA )) (( segid " " and resid 138 and name HA )) 4.900 3.000 1.100 peak 3822 spectrum 1 weight 0.10000E+01 volume 0.14957E-03 ppm1 3.987 ppm2 5.247 CV 1 ASSI { 3823} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 137 and name HB% ) 3.500 1.500 1.500 peak 3823 spectrum 1 weight 0.11000E+01 volume 0.13677E-02 ppm1 2.042 ppm2 1.460 CV 1 OR { 3823} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 137 and name HB% ) ASSI { 3825} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 25 and name HD1 )) 5.500 3.800 0.500 peak 3825 spectrum 1 weight 0.10000E+01 volume 0.30265E-03 ppm1 2.044 ppm2 3.815 CV 1 ASSI { 3826} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HA )) 4.700 2.800 1.300 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.48084E-03 ppm1 2.033 ppm2 4.536 CV 1 OR { 3826} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HA )) ASSI { 3833} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HB1 )) 2.000 0.500 0.500 peak 3833 spectrum 1 weight 0.11000E+01 volume 0.28046E-01 ppm1 2.255 ppm2 2.063 CV 1 OR { 3833} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HB2 )) OR { 3833} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HB1 )) OR { 3833} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HB2 )) ASSI { 3834} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 64 and name HE22)) 2.700 2.700 3.300 peak 3834 spectrum 1 weight 0.11000E+01 volume 0.23215E-03 ppm1 2.247 ppm2 7.281 CV 1 ASSI { 3835} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 11 and name HE21)) 6.000 4.500 0.000 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.69431E-04 ppm1 2.245 ppm2 7.517 CV 1 OR { 3835} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 11 and name HE21)) ASSI { 3837} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 78 and name HN )) 6.000 6.000 0.000 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.70887E-04 ppm1 2.251 ppm2 7.760 CV 1 OR { 3837} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 78 and name HN )) ASSI { 3849} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 92 and name HB1 )) 3.100 3.100 2.900 peak 3849 spectrum 1 weight 0.10000E+01 volume 0.10968E-03 ppm1 2.067 ppm2 2.873 CV 1 ASSI { 3851} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 69 and name HD2 )) 5.400 3.700 0.600 peak 3851 spectrum 1 weight 0.11000E+01 volume 0.24814E-03 ppm1 2.060 ppm2 6.914 CV 1 ASSI { 3852} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 64 and name HE22)) 2.700 2.700 3.300 peak 3852 spectrum 1 weight 0.11000E+01 volume 0.23368E-03 ppm1 2.049 ppm2 7.287 CV 1 ASSI { 3854} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 70 and name HG )) 5.000 5.000 1.000 peak 3854 spectrum 1 weight 0.11000E+01 volume 0.24582E-03 ppm1 2.112 ppm2 1.496 CV 1 ASSI { 3858} (( segid " " and resid 147 and name HA )) (( segid " " and resid 60 and name HD1 )) 4.300 2.300 1.700 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.12480E-02 ppm1 5.033 ppm2 3.577 CV 1 ASSI { 3862} (( segid " " and resid 83 and name HA )) (( segid " " and resid 69 and name HD2 )) 5.800 4.200 0.200 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.86815E-04 ppm1 5.020 ppm2 6.945 CV 1 ASSI { 3866} (( segid " " and resid 83 and name HB2 )) ( segid " " and resid 70 and name HD1%) 5.500 5.500 0.500 peak 3866 spectrum 1 weight 0.11000E+01 volume 0.47274E-03 ppm1 1.918 ppm2 0.941 CV 1 ASSI { 3870} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 47 and name HG2 )) 4.400 2.400 1.600 peak 3870 spectrum 1 weight 0.10000E+01 volume 0.71970E-03 ppm1 2.182 ppm2 1.374 CV 1 OR { 3870} (( segid " " and resid 106 and name HB1 )) (( segid " " and resid 47 and name HG1 )) ASSI { 3873} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 83 and name HA )) 6.000 4.500 0.000 peak 3873 spectrum 1 weight 0.11000E+01 volume 0.41455E-03 ppm1 2.010 ppm2 5.039 CV 1 OR { 3873} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 83 and name HA )) ASSI { 3875} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 70 and name HG )) 2.800 2.800 3.200 peak 3875 spectrum 1 weight 0.11000E+01 volume 0.17830E-03 ppm1 1.942 ppm2 1.489 CV 1 ASSI { 3887} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 67 and name HG2%) 5.600 3.900 0.400 peak 3887 spectrum 1 weight 0.11000E+01 volume 0.46930E-03 ppm1 1.746 ppm2 1.069 CV 1 ASSI { 3891} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 67 and name HB )) 5.500 3.800 0.500 peak 3891 spectrum 1 weight 0.11000E+01 volume 0.40603E-03 ppm1 2.051 ppm2 3.988 CV 1 ASSI { 3894} (( segid " " and resid 85 and name HA )) (( segid " " and resid 69 and name HD2 )) 6.000 5.800 0.000 peak 3894 spectrum 1 weight 0.11000E+01 volume 0.75897E-04 ppm1 4.405 ppm2 6.915 CV 1 ASSI { 3895} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 85 and name HG1 )) 5.200 3.400 0.800 peak 3895 spectrum 1 weight 0.11000E+01 volume 0.19814E-03 ppm1 3.006 ppm2 2.051 CV 1 OR { 3895} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 85 and name HG1 )) ASSI { 3898} (( segid " " and resid 141 and name HA )) ( segid " " and resid 142 and name HG1%) 5.700 4.000 0.300 peak 3898 spectrum 1 weight 0.11000E+01 volume 0.12946E-03 ppm1 5.241 ppm2 0.936 CV 1 ASSI { 3899} (( segid " " and resid 141 and name HA )) ( segid " " and resid 113 and name HE% ) 5.500 3.700 0.500 peak 3899 spectrum 1 weight 0.11000E+01 volume 0.26537E-03 ppm1 5.225 ppm2 2.133 CV 1 ASSI { 3902} (( segid " " and resid 141 and name HA )) (( segid " " and resid 113 and name HA )) 2.400 0.700 0.700 peak 3902 spectrum 1 weight 0.11000E+01 volume 0.13559E-02 ppm1 5.231 ppm2 5.531 CV 1 ASSI { 3905} (( segid " " and resid 141 and name HB1 )) ( segid " " and resid 111 and name HG2%) 5.100 3.200 0.900 peak 3905 spectrum 1 weight 0.11000E+01 volume 0.57287E-03 ppm1 2.015 ppm2 1.192 CV 1 ASSI { 3907} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 79 and name HH12)) 4.900 3.000 1.100 peak 3907 spectrum 1 weight 0.10000E+01 volume 0.76390E-04 ppm1 2.032 ppm2 6.802 CV 1 ASSI { 3912} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 113 and name HA )) 4.900 2.900 1.100 peak 3912 spectrum 1 weight 0.11000E+01 volume 0.21168E-03 ppm1 1.963 ppm2 5.520 CV 1 ASSI { 3920} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 67 and name HA )) 6.000 4.600 0.000 peak 3920 spectrum 1 weight 0.10000E+01 volume 0.17417E-03 ppm1 2.062 ppm2 5.333 CV 1 OR { 3920} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 67 and name HA )) ASSI { 3921} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 71 and name HE21)) 6.000 6.000 0.000 peak 3921 spectrum 1 weight 0.11000E+01 volume 0.82106E-04 ppm1 2.044 ppm2 7.412 CV 1 ASSI { 3922} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 142 and name HG2%) 4.500 2.500 1.500 peak 3922 spectrum 1 weight 0.11000E+01 volume 0.98477E-03 ppm1 2.016 ppm2 0.833 CV 1 OR { 3922} (( segid " " and resid 141 and name HG1 )) ( segid " " and resid 142 and name HG2%) ASSI { 3925} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 113 and name HA )) 6.000 5.300 0.000 peak 3925 spectrum 1 weight 0.11000E+01 volume 0.18052E-03 ppm1 1.947 ppm2 5.531 CV 1 ASSI { 3926} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 113 and name HA )) 5.500 3.800 0.500 peak 3926 spectrum 1 weight 0.11000E+01 volume 0.19254E-03 ppm1 2.009 ppm2 5.530 CV 1 ASSI { 3928} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 71 and name HE22)) 4.600 4.600 1.400 peak 3928 spectrum 1 weight 0.11000E+01 volume 0.75426E-04 ppm1 1.959 ppm2 6.708 CV 1 ASSI { 3930} (( segid " " and resid 141 and name HB1 )) ( segid " " and resid 142 and name HG2%) 4.500 4.500 1.500 peak 3930 spectrum 1 weight 0.11000E+01 volume 0.18805E-02 ppm1 2.044 ppm2 0.835 CV 1 ASSI { 3931} (( segid " " and resid 141 and name HB1 )) ( segid " " and resid 142 and name HG1%) 4.200 4.200 1.800 peak 3931 spectrum 1 weight 0.11000E+01 volume 0.10623E-02 ppm1 2.048 ppm2 0.946 CV 1 ASSI { 3932} (( segid " " and resid 141 and name HA )) ( segid " " and resid 111 and name HG2%) 5.800 4.200 0.200 peak 3932 spectrum 1 weight 0.11000E+01 volume 0.16064E-03 ppm1 5.233 ppm2 1.199 CV 1 ASSI { 3942} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.83514E-03 ppm1 1.940 ppm2 5.213 CV 1 ASSI { 3945} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 76 and name HB2 )) 5.600 3.900 0.400 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.17647E-03 ppm1 2.264 ppm2 2.880 CV 1 OR { 3945} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 76 and name HB2 )) ASSI { 3947} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 76 and name HB1 )) 5.600 4.000 0.400 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.22150E-03 ppm1 2.265 ppm2 3.286 CV 1 OR { 3947} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 76 and name HB1 )) ASSI { 3955} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 40 and name HA )) 5.500 3.800 0.500 peak 3955 spectrum 1 weight 0.11000E+01 volume 0.18226E-03 ppm1 3.302 ppm2 4.607 CV 1 ASSI { 3956} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 44 and name HG )) 6.000 5.800 0.000 peak 3956 spectrum 1 weight 0.10000E+01 volume 0.69045E-04 ppm1 2.762 ppm2 1.568 CV 1 ASSI { 3957} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 38 and name HB1 )) 6.000 6.000 0.000 peak 3957 spectrum 1 weight 0.10000E+01 volume 0.68403E-04 ppm1 2.771 ppm2 2.590 CV 1 OR { 3957} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 38 and name HB2 )) ASSI { 3964} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HG1 )) 5.500 5.500 0.500 peak 3964 spectrum 1 weight 0.11000E+01 volume 0.73092E-04 ppm1 4.565 ppm2 2.207 CV 1 ASSI { 3971} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HB1 )) 6.000 4.400 0.000 peak 3971 spectrum 1 weight 0.11000E+01 volume 0.29491E-03 ppm1 2.055 ppm2 3.326 CV 1 OR { 3971} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HB1 )) ASSI { 3974} (( segid " " and resid 107 and name HA )) (( segid " " and resid 144 and name HB1 )) 6.000 4.900 0.000 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.62772E-04 ppm1 4.765 ppm2 2.364 CV 1 ASSI { 3975} (( segid " " and resid 107 and name HA )) (( segid " " and resid 58 and name HB2 )) 6.000 6.000 0.000 peak 3975 spectrum 1 weight 0.11000E+01 volume 0.10431E-03 ppm1 4.757 ppm2 3.858 CV 1 ASSI { 3980} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 43 and name HA1 )) 6.000 5.800 0.000 peak 3980 spectrum 1 weight 0.10000E+01 volume 0.80093E-04 ppm1 2.586 ppm2 4.088 CV 1 OR { 3980} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 43 and name HA1 )) ASSI { 3983} (( segid " " and resid 92 and name HA )) (( segid " " and resid 89 and name HB )) 6.000 6.000 0.000 peak 3983 spectrum 1 weight 0.11000E+01 volume 0.11837E-03 ppm1 4.854 ppm2 4.181 CV 1 ASSI { 3987} (( segid " " and resid 92 and name HA )) (( segid " " and resid 94 and name HA )) 6.000 4.800 0.000 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.12808E-03 ppm1 4.849 ppm2 4.698 CV 1 ASSI { 4001} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 113 and name HG1 )) 6.000 6.000 0.000 peak 4001 spectrum 1 weight 0.11000E+01 volume 0.94222E-04 ppm1 0.758 ppm2 2.672 CV 1 ASSI { 4003} (( segid " " and resid 110 and name HA )) (( segid " " and resid 52 and name HA )) 5.100 5.100 0.900 peak 4003 spectrum 1 weight 0.11000E+01 volume 0.39674E-03 ppm1 4.668 ppm2 4.451 CV 1 ASSI { 4010} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 88 and name HE% ) 6.000 5.400 0.000 peak 4010 spectrum 1 weight 0.11000E+01 volume 0.91483E-04 ppm1 2.818 ppm2 7.177 CV 1 ASSI { 4012} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 92 and name HN )) 6.000 6.000 0.000 peak 4012 spectrum 1 weight 0.11000E+01 volume 0.79407E-04 ppm1 2.802 ppm2 7.891 CV 1 ASSI { 4014} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 93 and name HB2 )) 5.300 5.300 0.700 peak 4014 spectrum 1 weight 0.11000E+01 volume 0.30896E-03 ppm1 2.698 ppm2 3.266 CV 1 OR { 4014} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 93 and name HB1 )) ASSI { 4016} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 92 and name HN )) 6.000 6.000 0.000 peak 4016 spectrum 1 weight 0.11000E+01 volume 0.60482E-04 ppm1 2.712 ppm2 7.891 CV 1 ASSI { 4020} (( segid " " and resid 100 and name HA )) (( segid " " and resid 99 and name HG )) 5.400 5.400 0.600 peak 4020 spectrum 1 weight 0.11000E+01 volume 0.64529E-04 ppm1 4.611 ppm2 1.329 CV 1 ASSI { 4023} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 59 and name HG2 )) 4.300 4.300 1.700 peak 4023 spectrum 1 weight 0.11000E+01 volume 0.19981E-03 ppm1 2.586 ppm2 1.634 CV 1 ASSI { 4024} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 53 and name HA2 )) 6.000 6.000 0.000 peak 4024 spectrum 1 weight 0.11000E+01 volume 0.71122E-04 ppm1 2.576 ppm2 3.426 CV 1 ASSI { 4025} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 93 and name HA )) 5.400 3.600 0.600 peak 4025 spectrum 1 weight 0.11000E+01 volume 0.19958E-03 ppm1 2.579 ppm2 4.267 CV 1 ASSI { 4026} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 95 and name HN )) 6.000 6.000 0.000 peak 4026 spectrum 1 weight 0.11000E+01 volume 0.56564E-04 ppm1 2.576 ppm2 6.829 CV 1 ASSI { 4028} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 97 and name HE21)) 4.300 4.300 1.700 peak 4028 spectrum 1 weight 0.11000E+01 volume 0.94334E-04 ppm1 2.555 ppm2 7.783 CV 1 ASSI { 4033} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 62 and name HE2 )) 5.900 4.300 0.100 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.10461E-03 ppm1 2.410 ppm2 3.051 CV 1 OR { 4033} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 62 and name HE1 )) ASSI { 4040} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HG )) 6.000 4.500 0.000 peak 4040 spectrum 1 weight 0.11000E+01 volume 0.10159E-03 ppm1 4.632 ppm2 1.808 CV 1 ASSI { 4041} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 99 and name HG )) 5.500 5.500 0.500 peak 4041 spectrum 1 weight 0.11000E+01 volume 0.17650E-03 ppm1 2.377 ppm2 1.313 CV 1 ASSI { 4043} (( segid " " and resid 107 and name HA )) (( segid " " and resid 59 and name HG2 )) 4.200 2.200 1.800 peak 4043 spectrum 1 weight 0.11000E+01 volume 0.14753E-03 ppm1 4.743 ppm2 1.571 CV 1 ASSI { 4045} (( segid " " and resid 107 and name HA )) (( segid " " and resid 104 and name HA )) 2.600 2.600 3.400 peak 4045 spectrum 1 weight 0.11000E+01 volume 0.27329E-03 ppm1 4.735 ppm2 4.317 CV 1 ASSI { 4051} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 53 and name HA2 )) 6.000 4.500 0.000 peak 4051 spectrum 1 weight 0.11000E+01 volume 0.16481E-03 ppm1 2.292 ppm2 3.437 CV 1 ASSI { 4059} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 107 and name HB2 )) 6.000 4.900 0.000 peak 4059 spectrum 1 weight 0.11000E+01 volume 0.14143E-03 ppm1 3.956 ppm2 2.294 CV 1 ASSI { 4060} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 107 and name HB2 )) 4.600 2.600 1.400 peak 4060 spectrum 1 weight 0.11000E+01 volume 0.11743E-03 ppm1 4.012 ppm2 2.311 CV 1 ASSI { 4061} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 107 and name HB1 )) 4.700 2.800 1.300 peak 4061 spectrum 1 weight 0.11000E+01 volume 0.35495E-03 ppm1 4.042 ppm2 2.567 CV 1 ASSI { 4064} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 107 and name HB1 )) 5.500 3.800 0.500 peak 4064 spectrum 1 weight 0.11000E+01 volume 0.53866E-04 ppm1 4.037 ppm2 2.575 CV 1 ASSI { 4065} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 107 and name HA )) 4.500 2.600 1.500 peak 4065 spectrum 1 weight 0.11000E+01 volume 0.17732E-02 ppm1 4.053 ppm2 4.750 CV 1 ASSI { 4068} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 107 and name HA )) 6.000 4.700 0.000 peak 4068 spectrum 1 weight 0.11000E+01 volume 0.12473E-03 ppm1 4.011 ppm2 4.742 CV 1 ASSI { 4070} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 59 and name HA )) 6.000 5.300 0.000 peak 4070 spectrum 1 weight 0.11000E+01 volume 0.60225E-04 ppm1 2.588 ppm2 5.207 CV 1 ASSI { 4071} (( segid " " and resid 48 and name HE2 )) (( segid " " and resid 36 and name HH2 )) 5.600 3.900 0.400 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.93856E-04 ppm1 2.306 ppm2 7.019 CV 1 ASSI { 4073} (( segid " " and resid 50 and name HA )) (( segid " " and resid 48 and name HE2 )) 6.000 5.700 0.000 peak 4073 spectrum 1 weight 0.11000E+01 volume 0.94540E-04 ppm1 4.451 ppm2 2.286 CV 1 ASSI { 4075} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 44 and name HG )) 6.000 5.500 0.000 peak 4075 spectrum 1 weight 0.11000E+01 volume 0.55579E-04 ppm1 2.981 ppm2 1.574 CV 1 ASSI { 4076} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 120 and name HB1 )) 6.000 6.000 0.000 peak 4076 spectrum 1 weight 0.11000E+01 volume 0.16704E-03 ppm1 2.993 ppm2 3.267 CV 1 ASSI { 4078} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 120 and name HA )) 6.000 6.000 0.000 peak 4078 spectrum 1 weight 0.11000E+01 volume 0.73521E-04 ppm1 2.968 ppm2 4.771 CV 1 ASSI { 4082} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 119 and name HE1 )) 6.000 5.600 0.000 peak 4082 spectrum 1 weight 0.11000E+01 volume 0.44746E-04 ppm1 2.488 ppm2 2.752 CV 1 OR { 4082} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 119 and name HE2 )) ASSI { 4086} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 120 and name HE% ) 5.100 3.300 0.900 peak 4086 spectrum 1 weight 0.11000E+01 volume 0.18551E-03 ppm1 2.475 ppm2 6.703 CV 1 ASSI { 4087} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 120 and name HD% ) 3.400 1.400 1.400 peak 4087 spectrum 1 weight 0.11000E+01 volume 0.35698E-03 ppm1 2.477 ppm2 6.936 CV 1 ASSI { 4091} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 119 and name HG2 )) 5.300 3.500 0.700 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.83176E-04 ppm1 2.475 ppm2 0.622 CV 1 ASSI { 4093} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 119 and name HE1 )) 4.200 2.200 1.800 peak 4093 spectrum 1 weight 0.11000E+01 volume 0.12778E-03 ppm1 3.008 ppm2 2.758 CV 1 OR { 4093} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 119 and name HE2 )) ASSI { 4096} (( segid " " and resid 149 and name HA )) ( segid " " and resid 150 and name HD2%) 6.000 6.000 0.000 peak 4096 spectrum 1 weight 0.11000E+01 volume 0.79515E-04 ppm1 4.848 ppm2 0.857 CV 1 ASSI { 4107} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 64 and name HA )) 6.000 4.600 0.000 peak 4107 spectrum 1 weight 0.11000E+01 volume 0.20391E-03 ppm1 2.495 ppm2 4.470 CV 1 ASSI { 4109} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 148 and name HA )) 6.000 4.800 0.000 peak 4109 spectrum 1 weight 0.11000E+01 volume 0.27385E-03 ppm1 2.501 ppm2 4.606 CV 1 ASSI { 4120} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 102 and name HB1 )) 5.500 3.800 0.500 peak 4120 spectrum 1 weight 0.10000E+01 volume 0.16646E-03 ppm1 1.784 ppm2 3.608 CV 1 OR { 4120} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 102 and name HB1 )) ASSI { 4125} (( segid " " and resid 47 and name HD2 )) ( segid " " and resid 39 and name HD1%) 4.800 2.900 1.200 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.10973E-02 ppm1 1.460 ppm2 0.773 CV 1 OR { 4125} (( segid " " and resid 47 and name HD2 )) ( segid " " and resid 39 and name HG2%) ASSI { 4128} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 112 and name HA )) 5.800 4.200 0.200 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.15742E-03 ppm1 1.454 ppm2 5.196 CV 1 ASSI { 4130} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 105 and name HN )) 6.000 6.000 0.000 peak 4130 spectrum 1 weight 0.10000E+01 volume 0.45410E-04 ppm1 1.455 ppm2 7.413 CV 1 ASSI { 4131} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 107 and name HN )) 6.000 6.000 0.000 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.52988E-04 ppm1 1.462 ppm2 7.694 CV 1 ASSI { 4136} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 106 and name HB1 )) 4.300 2.300 1.700 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.78252E-03 ppm1 2.588 ppm2 2.180 CV 1 OR { 4136} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 106 and name HB1 )) ASSI { 4137} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 106 and name HN )) 6.000 5.400 0.000 peak 4137 spectrum 1 weight 0.10000E+01 volume 0.65856E-04 ppm1 2.580 ppm2 7.861 CV 1 OR { 4137} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 106 and name HN )) ASSI { 4143} (( segid " " and resid 57 and name HA )) ( segid " " and resid 108 and name HG2%) 6.000 6.000 0.000 peak 4143 spectrum 1 weight 0.11000E+01 volume 0.11539E-03 ppm1 4.345 ppm2 0.853 CV 1 ASSI { 4148} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 56 and name HA2 )) 6.000 4.400 0.000 peak 4148 spectrum 1 weight 0.11000E+01 volume 0.19391E-03 ppm1 4.064 ppm2 3.756 CV 1 ASSI { 4150} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 108 and name HG2%) 6.000 6.000 0.000 peak 4150 spectrum 1 weight 0.11000E+01 volume 0.10109E-03 ppm1 3.970 ppm2 0.832 CV 1 ASSI { 4161} (( segid " " and resid 56 and name HA2 )) (( segid " " and resid 57 and name HB2 )) 4.700 2.700 1.300 peak 4161 spectrum 1 weight 0.11000E+01 volume 0.65329E-03 ppm1 3.739 ppm2 3.951 CV 1 ASSI { 4162} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 38 and name HB2 )) 6.000 6.000 0.000 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.82469E-04 ppm1 4.145 ppm2 2.594 CV 1 OR { 4162} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 38 and name HB1 )) ASSI { 4171} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 109 and name HA2 )) 5.700 4.000 0.300 peak 4171 spectrum 1 weight 0.11000E+01 volume 0.38225E-03 ppm1 4.030 ppm2 3.735 CV 1 ASSI { 4176} (( segid " " and resid 53 and name HA2 )) (( segid " " and resid 109 and name HA2 )) 5.000 3.100 1.000 peak 4176 spectrum 1 weight 0.11000E+01 volume 0.39832E-03 ppm1 3.428 ppm2 3.745 CV 1 ASSI { 4178} (( segid " " and resid 53 and name HA2 )) (( segid " " and resid 110 and name HB2 )) 6.000 4.600 0.000 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.14088E-03 ppm1 3.413 ppm2 1.975 CV 1 ASSI { 4182} (( segid " " and resid 63 and name HA1 )) ( segid " " and resid 89 and name HG2%) 6.000 5.000 0.000 peak 4182 spectrum 1 weight 0.11000E+01 volume 0.18686E-03 ppm1 4.439 ppm2 0.981 CV 1 ASSI { 4183} (( segid " " and resid 63 and name HA2 )) (( segid " " and resid 90 and name HB2 )) 6.000 6.000 0.000 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.81506E-04 ppm1 3.505 ppm2 1.436 CV 1 ASSI { 4188} (( segid " " and resid 109 and name HA1 )) (( segid " " and resid 110 and name HA )) 4.800 4.800 1.200 peak 4188 spectrum 1 weight 0.11000E+01 volume 0.23073E-03 ppm1 4.408 ppm2 4.671 CV 1 ASSI { 4190} (( segid " " and resid 63 and name HA1 )) (( segid " " and resid 149 and name HA )) 6.000 4.500 0.000 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.17511E-03 ppm1 4.407 ppm2 4.864 CV 1 ASSI { 4191} (( segid " " and resid 77 and name HA2 )) (( segid " " and resid 76 and name HB2 )) 6.000 6.000 0.000 peak 4191 spectrum 1 weight 0.11000E+01 volume 0.72279E-04 ppm1 3.758 ppm2 2.899 CV 1 ASSI { 4192} (( segid " " and resid 77 and name HA2 )) (( segid " " and resid 76 and name HB1 )) 6.000 6.000 0.000 peak 4192 spectrum 1 weight 0.11000E+01 volume 0.91418E-04 ppm1 3.765 ppm2 3.265 CV 1 ASSI { 4193} (( segid " " and resid 109 and name HA2 )) (( segid " " and resid 110 and name HA )) 4.400 4.400 1.600 peak 4193 spectrum 1 weight 0.11000E+01 volume 0.42664E-03 ppm1 3.760 ppm2 4.663 CV 1 ASSI { 4199} (( segid " " and resid 91 and name HA1 )) (( segid " " and resid 92 and name HA )) 5.300 3.600 0.700 peak 4199 spectrum 1 weight 0.10000E+01 volume 0.11077E-03 ppm1 4.264 ppm2 4.851 CV 1 ASSI { 4203} (( segid " " and resid 91 and name HA1 )) (( segid " " and resid 97 and name HE21)) 6.000 5.500 0.000 peak 4203 spectrum 1 weight 0.10000E+01 volume 0.67953E-04 ppm1 4.273 ppm2 7.708 CV 1 ASSI { 4206} (( segid " " and resid 91 and name HA2 )) (( segid " " and resid 62 and name HB2 )) 6.000 6.000 0.000 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.62109E-04 ppm1 3.934 ppm2 1.725 CV 1 OR { 4206} (( segid " " and resid 91 and name HA2 )) (( segid " " and resid 62 and name HD1 )) ASSI { 4219} (( segid " " and resid 93 and name HA )) ( segid " " and resid 88 and name HD% ) 6.000 4.700 0.000 peak 4219 spectrum 1 weight 0.10000E+01 volume 0.86259E-04 ppm1 4.274 ppm2 6.960 CV 1 ASSI { 4220} (( segid " " and resid 93 and name HB1 )) ( segid " " and resid 95 and name HG2%) 6.000 5.400 0.000 peak 4220 spectrum 1 weight 0.10000E+01 volume 0.10322E-03 ppm1 3.232 ppm2 0.088 CV 1 OR { 4220} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 95 and name HG2%) ASSI { 4222} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 95 and name HG1%) 6.000 6.000 0.000 peak 4222 spectrum 1 weight 0.11000E+01 volume 0.10836E-03 ppm1 3.188 ppm2 0.329 CV 1 OR { 4222} (( segid " " and resid 93 and name HB1 )) ( segid " " and resid 95 and name HG1%) ASSI { 4224} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 94 and name HA )) 4.600 2.700 1.400 peak 4224 spectrum 1 weight 0.11000E+01 volume 0.35878E-03 ppm1 3.201 ppm2 4.637 CV 1 OR { 4224} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 94 and name HA )) ASSI { 4225} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 132 and name HG11)) 5.000 3.200 1.000 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.26679E-03 ppm1 3.250 ppm2 1.026 CV 1 ASSI { 4228} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 132 and name HG11)) 5.100 3.200 0.900 peak 4228 spectrum 1 weight 0.10000E+01 volume 0.43303E-03 ppm1 2.642 ppm2 1.024 CV 1 ASSI { 4235} (( segid " " and resid 139 and name HA )) ( segid " " and resid 115 and name HG2%) 3.800 1.800 1.800 peak 4235 spectrum 1 weight 0.11000E+01 volume 0.77935E-03 ppm1 5.085 ppm2 1.124 CV 1 ASSI { 4236} (( segid " " and resid 139 and name HA )) (( segid " " and resid 115 and name HB )) 5.700 4.100 0.300 peak 4236 spectrum 1 weight 0.11000E+01 volume 0.20159E-03 ppm1 5.087 ppm2 4.116 CV 1 ASSI { 4238} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 140 and name HG )) 6.000 6.000 0.000 peak 4238 spectrum 1 weight 0.11000E+01 volume 0.57035E-04 ppm1 2.880 ppm2 1.673 CV 1 ASSI { 4239} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 73 and name HB1 )) 3.700 1.700 1.700 peak 4239 spectrum 1 weight 0.11000E+01 volume 0.71759E-03 ppm1 2.888 ppm2 3.725 CV 1 OR { 4239} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 73 and name HB2 )) ASSI { 4240} (( segid " " and resid 139 and name HB1 )) (( segid " " and resid 75 and name HA )) 5.500 3.800 0.500 peak 4240 spectrum 1 weight 0.11000E+01 volume 0.13726E-03 ppm1 2.886 ppm2 3.982 CV 1 ASSI { 4244} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 4.300 2.300 1.700 peak 4244 spectrum 1 weight 0.11000E+01 volume 0.63948E-03 ppm1 2.686 ppm2 3.724 CV 1 OR { 4244} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 73 and name HB2 )) ASSI { 4245} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 75 and name HA )) 4.500 2.500 1.500 peak 4245 spectrum 1 weight 0.11000E+01 volume 0.21155E-03 ppm1 2.668 ppm2 3.983 CV 1 ASSI { 4253} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 139 and name HA )) 6.000 4.700 0.000 peak 4253 spectrum 1 weight 0.11000E+01 volume 0.98908E-04 ppm1 3.734 ppm2 5.095 CV 1 OR { 4253} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 139 and name HA )) ASSI { 4261} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HG1 )) 6.000 5.500 0.000 peak 4261 spectrum 1 weight 0.10000E+01 volume 0.63800E-04 ppm1 4.765 ppm2 1.784 CV 1 ASSI { 4262} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HA )) 5.400 3.600 0.600 peak 4262 spectrum 1 weight 0.11000E+01 volume 0.16492E-03 ppm1 4.770 ppm2 4.373 CV 1 ASSI { 4266} (( segid " " and resid 58 and name HB1 )) ( segid " " and resid 108 and name HG1%) 5.900 4.300 0.100 peak 4266 spectrum 1 weight 0.10000E+01 volume 0.11719E-03 ppm1 3.864 ppm2 0.946 CV 1 ASSI { 4269} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 59 and name HA )) 5.500 3.800 0.500 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.10792E-03 ppm1 3.864 ppm2 5.186 CV 1 ASSI { 4271} (( segid " " and resid 58 and name HB2 )) ( segid " " and resid 108 and name HG1%) 5.500 3.700 0.500 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.23071E-03 ppm1 3.805 ppm2 0.955 CV 1 ASSI { 4272} (( segid " " and resid 58 and name HB2 )) ( segid " " and resid 147 and name HB% ) 6.000 4.500 0.000 peak 4272 spectrum 1 weight 0.10000E+01 volume 0.11867E-03 ppm1 3.807 ppm2 1.132 CV 1 ASSI { 4273} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 59 and name HG2 )) 6.000 6.000 0.000 peak 4273 spectrum 1 weight 0.10000E+01 volume 0.58941E-04 ppm1 3.792 ppm2 1.547 CV 1 OR { 4273} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 59 and name HB2 )) ASSI { 4289} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 79 and name HB1 )) 6.000 6.000 0.000 peak 4289 spectrum 1 weight 0.11000E+01 volume 0.10686E-03 ppm1 3.729 ppm2 1.888 CV 1 OR { 4289} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 79 and name HB2 )) OR { 4289} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 79 and name HB2 )) OR { 4289} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 79 and name HB1 )) ASSI { 4290} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 77 and name HA1 )) 6.000 4.900 0.000 peak 4290 spectrum 1 weight 0.11000E+01 volume 0.16347E-03 ppm1 3.726 ppm2 4.407 CV 1 OR { 4290} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 77 and name HA1 )) ASSI { 4291} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 79 and name HA )) 4.800 2.900 1.200 peak 4291 spectrum 1 weight 0.11000E+01 volume 0.59705E-03 ppm1 3.725 ppm2 4.513 CV 1 OR { 4291} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 79 and name HA )) ASSI { 4293} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 72 and name HA )) 6.000 4.900 0.000 peak 4293 spectrum 1 weight 0.11000E+01 volume 0.12358E-03 ppm1 3.718 ppm2 4.913 CV 1 OR { 4293} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 72 and name HA )) ASSI { 4295} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 73 and name HA )) 5.600 3.900 0.400 peak 4295 spectrum 1 weight 0.11000E+01 volume 0.28843E-03 ppm1 1.888 ppm2 5.547 CV 1 OR { 4295} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 4300} (( segid " " and resid 73 and name HA )) (( segid " " and resid 77 and name HA1 )) 6.000 6.000 0.000 peak 4300 spectrum 1 weight 0.11000E+01 volume 0.29523E-04 ppm1 5.535 ppm2 4.402 CV 1 ASSI { 4305} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 47 and name HA )) 6.000 5.300 0.000 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.89641E-04 ppm1 3.582 ppm2 5.964 CV 1 OR { 4305} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 47 and name HA )) ASSI { 4309} (( segid " " and resid 102 and name HA )) ( segid " " and resid 101 and name HD2%) 6.000 6.000 0.000 peak 4309 spectrum 1 weight 0.11000E+01 volume 0.81484E-04 ppm1 4.446 ppm2 0.517 CV 1 ASSI { 4313} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 135 and name HB1 )) 5.100 3.200 0.900 peak 4313 spectrum 1 weight 0.11000E+01 volume 0.35641E-03 ppm1 3.565 ppm2 3.258 CV 1 OR { 4313} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 135 and name HB2 )) ASSI { 4316} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 121 and name HB2 )) 6.000 5.800 0.000 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.76946E-04 ppm1 3.515 ppm2 2.660 CV 1 ASSI { 4318} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 135 and name HN )) 6.000 6.000 0.000 peak 4318 spectrum 1 weight 0.10000E+01 volume 0.41642E-04 ppm1 3.519 ppm2 7.648 CV 1 ASSI { 4322} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 130 and name HD2 )) 3.900 1.900 1.900 peak 4322 spectrum 1 weight 0.10000E+01 volume 0.83797E-04 ppm1 2.997 ppm2 3.390 CV 1 ASSI { 4325} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 122 and name HD% ) 5.900 4.300 0.100 peak 4325 spectrum 1 weight 0.11000E+01 volume 0.14871E-03 ppm1 3.006 ppm2 7.119 CV 1 ASSI { 4327} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 132 and name HG12)) 5.600 3.900 0.400 peak 4327 spectrum 1 weight 0.11000E+01 volume 0.10257E-03 ppm1 2.685 ppm2 0.728 CV 1 ASSI { 4328} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 130 and name HG2 )) 6.000 5.000 0.000 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.17124E-03 ppm1 2.688 ppm2 1.421 CV 1 ASSI { 4329} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 130 and name HB1 )) 6.000 5.800 0.000 peak 4329 spectrum 1 weight 0.10000E+01 volume 0.28625E-03 ppm1 2.678 ppm2 2.340 CV 1 ASSI { 4331} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 122 and name HE% ) 5.000 3.100 1.000 peak 4331 spectrum 1 weight 0.11000E+01 volume 0.13826E-03 ppm1 2.688 ppm2 6.641 CV 1 ASSI { 4332} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 122 and name HD% ) 4.100 2.100 1.900 peak 4332 spectrum 1 weight 0.11000E+01 volume 0.28188E-03 ppm1 2.691 ppm2 7.113 CV 1 ASSI { 4334} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 122 and name HE% ) 6.000 5.700 0.000 peak 4334 spectrum 1 weight 0.11000E+01 volume 0.66883E-04 ppm1 3.021 ppm2 6.646 CV 1 ASSI { 4338} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HB2 )) 1.500 1.500 4.500 peak 4338 spectrum 1 weight 0.11000E+01 volume 0.23332E-01 ppm1 1.988 ppm2 1.985 CV 1 ASSI { 4344} (( segid " " and resid 113 and name HG1 )) (( segid " " and resid 113 and name HG2 )) 2.200 0.600 0.600 peak 4344 spectrum 1 weight 0.11000E+01 volume 0.40486E-02 ppm1 2.667 ppm2 2.532 CV 1 ASSI { 4357} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HA )) 4.900 3.000 1.100 peak 4357 spectrum 1 weight 0.11000E+01 volume 0.47741E-03 ppm1 2.145 ppm2 5.529 CV 1 ASSI { 4361} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 113 and name HE% ) 3.100 1.200 1.200 peak 4361 spectrum 1 weight 0.11000E+01 volume 0.15533E-02 ppm1 1.913 ppm2 2.152 CV 1 ASSI { 4362} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HG2 )) 4.700 2.700 1.300 peak 4362 spectrum 1 weight 0.11000E+01 volume 0.43631E-03 ppm1 2.156 ppm2 2.526 CV 1 ASSI { 4363} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HG1 )) 3.800 1.800 1.800 peak 4363 spectrum 1 weight 0.11000E+01 volume 0.70037E-03 ppm1 2.145 ppm2 2.672 CV 1 ASSI { 4367} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 141 and name HA )) 4.500 2.500 1.500 peak 4367 spectrum 1 weight 0.11000E+01 volume 0.27938E-03 ppm1 1.945 ppm2 5.233 CV 1 ASSI { 4368} (( segid " " and resid 113 and name HG1 )) (( segid " " and resid 141 and name HA )) 5.700 4.100 0.300 peak 4368 spectrum 1 weight 0.11000E+01 volume 0.12321E-03 ppm1 2.669 ppm2 5.223 CV 1 ASSI { 4369} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 141 and name HA )) 6.000 5.700 0.000 peak 4369 spectrum 1 weight 0.11000E+01 volume 0.16967E-03 ppm1 2.524 ppm2 5.226 CV 1 ASSI { 4374} (( segid " " and resid 113 and name HB1 )) ( segid " " and resid 112 and name HB% ) 4.900 4.900 1.100 peak 4374 spectrum 1 weight 0.11000E+01 volume 0.65551E-03 ppm1 1.963 ppm2 1.541 CV 1 ASSI { 4377} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 50 and name HD1%) 5.300 3.500 0.700 peak 4377 spectrum 1 weight 0.11000E+01 volume 0.37606E-03 ppm1 2.523 ppm2 0.835 CV 1 ASSI { 4378} (( segid " " and resid 113 and name HG1 )) ( segid " " and resid 50 and name HD1%) 5.600 3.900 0.400 peak 4378 spectrum 1 weight 0.11000E+01 volume 0.25614E-03 ppm1 2.658 ppm2 0.833 CV 1 ASSI { 4379} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 50 and name HD1%) 3.600 3.600 2.400 peak 4379 spectrum 1 weight 0.11000E+01 volume 0.17587E-02 ppm1 2.139 ppm2 0.839 CV 1 ASSI { 4382} (( segid " " and resid 113 and name HA )) (( segid " " and resid 36 and name HZ3 )) 6.000 5.100 0.000 peak 4382 spectrum 1 weight 0.11000E+01 volume 0.99255E-04 ppm1 5.548 ppm2 7.025 CV 1 OR { 4382} (( segid " " and resid 113 and name HA )) (( segid " " and resid 36 and name HH2 )) ASSI { 4385} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 36 and name HH2 )) 6.000 5.000 0.000 peak 4385 spectrum 1 weight 0.11000E+01 volume 0.23555E-03 ppm1 1.937 ppm2 7.019 CV 1 ASSI { 4387} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 36 and name HH2 )) 4.900 3.000 1.100 peak 4387 spectrum 1 weight 0.11000E+01 volume 0.52389E-03 ppm1 2.138 ppm2 7.020 CV 1 ASSI { 4390} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 36 and name HZ2 )) 5.300 5.300 0.700 peak 4390 spectrum 1 weight 0.11000E+01 volume 0.20448E-03 ppm1 2.147 ppm2 7.456 CV 1 ASSI { 4391} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 36 and name HZ2 )) 6.000 4.600 0.000 peak 4391 spectrum 1 weight 0.11000E+01 volume 0.97989E-04 ppm1 1.990 ppm2 7.450 CV 1 ASSI { 4392} (( segid " " and resid 113 and name HG1 )) ( segid " " and resid 115 and name HG2%) 5.100 5.100 0.900 peak 4392 spectrum 1 weight 0.11000E+01 volume 0.54423E-03 ppm1 2.665 ppm2 1.123 CV 1 ASSI { 4394} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 115 and name HG2%) 5.000 5.000 1.000 peak 4394 spectrum 1 weight 0.11000E+01 volume 0.41884E-03 ppm1 2.142 ppm2 1.121 CV 1 ASSI { 4400} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 50 and name HD2%) 2.100 2.100 3.900 peak 4400 spectrum 1 weight 0.11000E+01 volume 0.10425E-02 ppm1 2.142 ppm2 0.752 CV 1 ASSI { 4403} (( segid " " and resid 113 and name HG2 )) ( segid " " and resid 114 and name HG2%) 5.800 5.800 0.200 peak 4403 spectrum 1 weight 0.11000E+01 volume 0.19161E-03 ppm1 2.507 ppm2 0.928 CV 1 ASSI { 4404} (( segid " " and resid 113 and name HA )) ( segid " " and resid 114 and name HG2%) 5.100 5.100 0.900 peak 4404 spectrum 1 weight 0.11000E+01 volume 0.21953E-03 ppm1 5.509 ppm2 0.937 CV 1 ASSI { 4405} ( segid " " and resid 113 and name HE% ) ( segid " " and resid 114 and name HG2%) 6.000 6.000 0.000 peak 4405 spectrum 1 weight 0.11000E+01 volume 0.11692E-03 ppm1 2.153 ppm2 0.936 CV 1 ASSI { 4406} (( segid " " and resid 113 and name HA )) ( segid " " and resid 111 and name HG2%) 6.000 5.900 0.000 peak 4406 spectrum 1 weight 0.10000E+01 volume 0.80007E-04 ppm1 5.516 ppm2 1.230 CV 1 ASSI { 4414} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 36 and name HZ2 )) 6.000 6.000 0.000 peak 4414 spectrum 1 weight 0.11000E+01 volume 0.79857E-04 ppm1 1.911 ppm2 7.442 CV 1 ASSI { 4416} (( segid " " and resid 113 and name HG1 )) ( segid " " and resid 114 and name HG2%) 6.000 6.000 0.000 peak 4416 spectrum 1 weight 0.11000E+01 volume 0.34127E-04 ppm1 2.675 ppm2 0.928 CV 1 ASSI { 4417} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HN )) 6.000 4.900 0.000 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.38366E-04 ppm1 2.522 ppm2 8.159 CV 1 ASSI { 4420} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 139 and name HB1 )) 4.500 2.500 1.500 peak 4420 spectrum 1 weight 0.11000E+01 volume 0.28838E-03 ppm1 2.148 ppm2 2.889 CV 1 ASSI { 4425} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 36 and name HZ3 )) 6.000 6.000 0.000 peak 4425 spectrum 1 weight 0.11000E+01 volume 0.94568E-04 ppm1 1.757 ppm2 7.035 CV 1 OR { 4425} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 36 and name HZ3 )) ASSI { 4426} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 36 and name HZ3 )) 6.000 6.000 0.000 peak 4426 spectrum 1 weight 0.11000E+01 volume 0.87009E-04 ppm1 1.400 ppm2 7.014 CV 1 OR { 4426} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 36 and name HZ3 )) ASSI { 4427} (( segid " " and resid 62 and name HA )) (( segid " " and resid 91 and name HA2 )) 6.000 5.300 0.000 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.90156E-04 ppm1 3.603 ppm2 3.943 CV 1 ASSI { 4428} (( segid " " and resid 62 and name HA )) (( segid " " and resid 90 and name HA )) 5.100 3.300 0.900 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.25171E-03 ppm1 3.611 ppm2 4.325 CV 1 ASSI { 4435} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 91 and name HA2 )) 5.400 3.600 0.600 peak 4435 spectrum 1 weight 0.10000E+01 volume 0.31003E-03 ppm1 1.536 ppm2 3.942 CV 1 ASSI { 4436} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 91 and name HA1 )) 4.600 2.700 1.400 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.47178E-03 ppm1 1.527 ppm2 4.298 CV 1 ASSI { 4437} (( segid " " and resid 62 and name HD1 )) (( segid " " and resid 62 and name HE1 )) 2.900 1.100 1.100 peak 4437 spectrum 1 weight 0.11000E+01 volume 0.25057E-02 ppm1 1.750 ppm2 3.037 CV 1 OR { 4437} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HE2 )) OR { 4437} (( segid " " and resid 62 and name HD1 )) (( segid " " and resid 62 and name HE2 )) OR { 4437} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HE1 )) ASSI { 4444} (( segid " " and resid 62 and name HE2 )) (( segid " " and resid 91 and name HA2 )) 4.400 2.400 1.600 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.47370E-03 ppm1 3.041 ppm2 3.931 CV 1 OR { 4444} (( segid " " and resid 62 and name HE1 )) (( segid " " and resid 91 and name HA2 )) ASSI { 4445} (( segid " " and resid 119 and name HA )) (( segid " " and resid 118 and name HB2 )) 4.900 4.900 1.100 peak 4445 spectrum 1 weight 0.11000E+01 volume 0.56326E-03 ppm1 3.963 ppm2 3.566 CV 1 ASSI { 4448} (( segid " " and resid 119 and name HB1 )) ( segid " " and resid 120 and name HE% ) 6.000 6.000 0.000 peak 4448 spectrum 1 weight 0.11000E+01 volume 0.11527E-03 ppm1 1.645 ppm2 6.702 CV 1 ASSI { 4450} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 117 and name HB1 )) 6.000 6.000 0.000 peak 4450 spectrum 1 weight 0.11000E+01 volume 0.10094E-03 ppm1 1.274 ppm2 2.992 CV 1 ASSI { 4455} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 86 and name HG )) 2.700 0.900 0.900 peak 4455 spectrum 1 weight 0.10000E+01 volume 0.40130E-02 ppm1 0.933 ppm2 1.597 CV 1 ASSI { 4459} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 137 and name HA )) 6.000 6.000 0.000 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.15057E-03 ppm1 0.628 ppm2 4.666 CV 1 ASSI { 4463} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 44 and name HB1 )) 4.600 2.700 1.400 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.57444E-03 ppm1 1.392 ppm2 1.962 CV 1 OR { 4463} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 44 and name HB1 )) ASSI { 4464} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 120 and name HA )) 6.000 6.000 0.000 peak 4464 spectrum 1 weight 0.11000E+01 volume 0.23250E-03 ppm1 1.382 ppm2 4.782 CV 1 OR { 4464} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 120 and name HA )) ASSI { 4465} (( segid " " and resid 119 and name HD2 )) ( segid " " and resid 120 and name HE% ) 3.600 1.600 1.600 peak 4465 spectrum 1 weight 0.11000E+01 volume 0.52203E-03 ppm1 1.391 ppm2 6.705 CV 1 OR { 4465} (( segid " " and resid 119 and name HD1 )) ( segid " " and resid 120 and name HE% ) ASSI { 4466} (( segid " " and resid 119 and name HD2 )) ( segid " " and resid 120 and name HD% ) 5.000 3.100 1.000 peak 4466 spectrum 1 weight 0.11000E+01 volume 0.22135E-03 ppm1 1.388 ppm2 6.939 CV 1 OR { 4466} (( segid " " and resid 119 and name HD1 )) ( segid " " and resid 120 and name HD% ) ASSI { 4467} (( segid " " and resid 119 and name HE1 )) ( segid " " and resid 120 and name HD% ) 5.700 4.000 0.300 peak 4467 spectrum 1 weight 0.11000E+01 volume 0.29894E-03 ppm1 2.768 ppm2 6.942 CV 1 OR { 4467} (( segid " " and resid 119 and name HE2 )) ( segid " " and resid 120 and name HD% ) ASSI { 4468} (( segid " " and resid 119 and name HE1 )) (( segid " " and resid 44 and name HB1 )) 5.100 3.200 0.900 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.22248E-03 ppm1 2.772 ppm2 1.963 CV 1 ASSI { 4469} (( segid " " and resid 119 and name HE2 )) (( segid " " and resid 118 and name HB1 )) 5.300 3.500 0.700 peak 4469 spectrum 1 weight 0.11000E+01 volume 0.24777E-03 ppm1 2.771 ppm2 3.590 CV 1 ASSI { 4473} (( segid " " and resid 119 and name HA )) ( segid " " and resid 120 and name HD% ) 6.000 6.000 0.000 peak 4473 spectrum 1 weight 0.11000E+01 volume 0.10401E-03 ppm1 3.982 ppm2 6.943 CV 1 ASSI { 4474} (( segid " " and resid 145 and name HA )) ( segid " " and resid 143 and name HG2%) 4.800 2.800 1.200 peak 4474 spectrum 1 weight 0.11000E+01 volume 0.28901E-03 ppm1 4.325 ppm2 1.048 CV 1 ASSI { 4475} (( segid " " and resid 145 and name HA )) (( segid " " and resid 68 and name HA )) 6.000 4.500 0.000 peak 4475 spectrum 1 weight 0.11000E+01 volume 0.17130E-03 ppm1 4.334 ppm2 5.601 CV 1 ASSI { 4479} (( segid " " and resid 145 and name HB2 )) ( segid " " and resid 146 and name HG2%) 4.100 2.100 1.900 peak 4479 spectrum 1 weight 0.11000E+01 volume 0.10780E-02 ppm1 1.679 ppm2 1.121 CV 1 ASSI { 4480} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 67 and name HB )) 4.500 2.600 1.500 peak 4480 spectrum 1 weight 0.11000E+01 volume 0.56765E-03 ppm1 1.690 ppm2 3.993 CV 1 ASSI { 4484} (( segid " " and resid 68 and name HA )) (( segid " " and resid 145 and name HG2 )) 5.000 3.200 1.000 peak 4484 spectrum 1 weight 0.11000E+01 volume 0.11611E-03 ppm1 5.618 ppm2 1.391 CV 1 ASSI { 4485} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 143 and name HG2%) 3.000 3.000 3.000 peak 4485 spectrum 1 weight 0.11000E+01 volume 0.16790E-02 ppm1 1.405 ppm2 1.045 CV 1 ASSI { 4487} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 67 and name HB )) 2.500 2.500 3.500 peak 4487 spectrum 1 weight 0.11000E+01 volume 0.38700E-03 ppm1 3.008 ppm2 3.991 CV 1 OR { 4487} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 67 and name HB )) ASSI { 4491} (( segid " " and resid 145 and name HD1 )) ( segid " " and resid 143 and name HG2%) 4.200 2.200 1.800 peak 4491 spectrum 1 weight 0.11000E+01 volume 0.12923E-02 ppm1 1.775 ppm2 1.056 CV 1 ASSI { 4493} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 68 and name HA )) 3.500 3.500 2.500 peak 4493 spectrum 1 weight 0.11000E+01 volume 0.54615E-04 ppm1 3.014 ppm2 5.594 CV 1 OR { 4493} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 68 and name HA )) ASSI { 4496} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 36 and name HB1 )) 5.600 3.900 0.400 peak 4496 spectrum 1 weight 0.11000E+01 volume 0.32052E-03 ppm1 2.804 ppm2 3.076 CV 1 OR { 4496} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 36 and name HB1 )) ASSI { 4497} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 43 and name HA2 )) 3.400 3.400 2.600 peak 4497 spectrum 1 weight 0.11000E+01 volume 0.45311E-03 ppm1 2.787 ppm2 3.481 CV 1 ASSI { 4499} (( segid " " and resid 46 and name HD1 )) (( segid " " and resid 44 and name HA )) 5.500 3.700 0.500 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.13286E-03 ppm1 2.779 ppm2 4.378 CV 1 OR { 4499} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 44 and name HA )) ASSI { 4501} (( segid " " and resid 43 and name HA2 )) (( segid " " and resid 46 and name HD1 )) 4.900 3.000 1.100 peak 4501 spectrum 1 weight 0.11000E+01 volume 0.12726E-03 ppm1 3.468 ppm2 2.777 CV 1 OR { 4501} (( segid " " and resid 43 and name HA2 )) (( segid " " and resid 46 and name HD2 )) ASSI { 4502} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HG2 )) 3.000 1.100 1.100 peak 4502 spectrum 1 weight 0.10000E+01 volume 0.55262E-02 ppm1 1.876 ppm2 2.121 CV 1 ASSI { 4505} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 81 and name HG1 )) 2.700 2.700 3.300 peak 4505 spectrum 1 weight 0.11000E+01 volume 0.26250E-03 ppm1 3.240 ppm2 2.425 CV 1 OR { 4505} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 81 and name HG1 )) ASSI { 4506} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 73 and name HB1 )) 4.900 3.100 1.100 peak 4506 spectrum 1 weight 0.11000E+01 volume 0.53885E-03 ppm1 3.231 ppm2 3.735 CV 1 OR { 4506} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 73 and name HB1 )) OR { 4506} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 73 and name HB2 )) OR { 4506} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 73 and name HB2 )) ASSI { 4507} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 78 and name HA )) 2.200 2.200 3.800 peak 4507 spectrum 1 weight 0.11000E+01 volume 0.84148E-03 ppm1 3.234 ppm2 4.054 CV 1 OR { 4507} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 78 and name HA )) ASSI { 4508} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HH22)) 6.000 5.200 0.000 peak 4508 spectrum 1 weight 0.11000E+01 volume 0.12955E-03 ppm1 3.243 ppm2 6.543 CV 1 OR { 4508} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HH22)) OR { 4508} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HH21)) OR { 4508} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HH21)) ASSI { 4512} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 73 and name HA )) 6.000 6.000 0.000 peak 4512 spectrum 1 weight 0.11000E+01 volume 0.87736E-04 ppm1 3.259 ppm2 5.547 CV 1 OR { 4512} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 73 and name HA )) ASSI { 4513} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.800 1.800 1.800 peak 4513 spectrum 1 weight 0.11000E+01 volume 0.34007E-03 ppm1 1.694 ppm2 5.542 CV 1 OR { 4513} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 73 and name HA )) ASSI { 4515} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HB2 )) 4.700 2.800 1.300 peak 4515 spectrum 1 weight 0.11000E+01 volume 0.71789E-03 ppm1 5.203 ppm2 4.029 CV 1 OR { 4515} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HB1 )) ASSI { 4523} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 105 and name HD2%) 6.000 6.000 0.000 peak 4523 spectrum 1 weight 0.11000E+01 volume 0.79301E-04 ppm1 3.063 ppm2 0.852 CV 1 ASSI { 4528} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 105 and name HD2%) 6.000 6.000 0.000 peak 4528 spectrum 1 weight 0.11000E+01 volume 0.97774E-04 ppm1 3.209 ppm2 0.861 CV 1 ASSI { 4529} (( segid " " and resid 17 and name HD1 )) (( segid " " and resid 19 and name HA )) 3.800 3.800 2.200 peak 4529 spectrum 1 weight 0.10000E+01 volume 0.87479E-03 ppm1 3.214 ppm2 4.632 CV 1 ASSI { 4534} (( segid " " and resid 104 and name HA )) ( segid " " and resid 90 and name HD1%) 6.000 4.600 0.000 peak 4534 spectrum 1 weight 0.11000E+01 volume 0.17534E-03 ppm1 4.314 ppm2 1.063 CV 1 ASSI { 4536} (( segid " " and resid 104 and name HB1 )) ( segid " " and resid 90 and name HD2%) 4.400 2.400 1.600 peak 4536 spectrum 1 weight 0.11000E+01 volume 0.27087E-03 ppm1 2.434 ppm2 0.753 CV 1 ASSI { 4537} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 90 and name HD2%) 6.000 4.500 0.000 peak 4537 spectrum 1 weight 0.11000E+01 volume 0.22617E-03 ppm1 1.653 ppm2 0.748 CV 1 ASSI { 4540} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 90 and name HD2%) 3.800 1.800 1.800 peak 4540 spectrum 1 weight 0.11000E+01 volume 0.48639E-03 ppm1 2.112 ppm2 0.752 CV 1 ASSI { 4547} (( segid " " and resid 104 and name HD1 )) ( segid " " and resid 90 and name HD2%) 3.400 1.400 1.400 peak 4547 spectrum 1 weight 0.11000E+01 volume 0.31252E-03 ppm1 3.641 ppm2 0.756 CV 1 ASSI { 4550} (( segid " " and resid 104 and name HD1 )) (( segid " " and resid 102 and name HN )) 6.000 6.000 0.000 peak 4550 spectrum 1 weight 0.11000E+01 volume 0.76003E-04 ppm1 3.635 ppm2 7.145 CV 1 ASSI { 4551} (( segid " " and resid 104 and name HD2 )) (( segid " " and resid 101 and name HA )) 4.200 2.200 1.800 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.16467E-03 ppm1 3.130 ppm2 4.277 CV 1 ASSI { 4553} (( segid " " and resid 104 and name HG2 )) ( segid " " and resid 90 and name HD2%) 4.100 2.100 1.900 peak 4553 spectrum 1 weight 0.11000E+01 volume 0.20334E-02 ppm1 1.806 ppm2 0.765 CV 1 ASSI { 4554} (( segid " " and resid 104 and name HB2 )) ( segid " " and resid 103 and name HG2%) 6.000 6.000 0.000 peak 4554 spectrum 1 weight 0.11000E+01 volume 0.34014E-03 ppm1 1.663 ppm2 1.047 CV 1 ASSI { 4559} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 123 and name HA1 )) 2.900 2.900 3.100 peak 4559 spectrum 1 weight 0.11000E+01 volume 0.55894E-03 ppm1 3.942 ppm2 4.162 CV 1 ASSI { 4560} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 123 and name HA1 )) 4.000 4.000 2.000 peak 4560 spectrum 1 weight 0.11000E+01 volume 0.54200E-03 ppm1 3.569 ppm2 4.161 CV 1 ASSI { 4570} (( segid " " and resid 130 and name HA )) (( segid " " and resid 129 and name HA )) 4.100 2.100 1.900 peak 4570 spectrum 1 weight 0.11000E+01 volume 0.50863E-03 ppm1 4.736 ppm2 4.500 CV 1 ASSI { 4571} (( segid " " and resid 130 and name HB1 )) ( segid " " and resid 132 and name HD1%) 6.000 6.000 0.000 peak 4571 spectrum 1 weight 0.11000E+01 volume 0.12458E-03 ppm1 2.362 ppm2 0.459 CV 1 ASSI { 4572} (( segid " " and resid 130 and name HB1 )) ( segid " " and resid 132 and name HG2%) 5.900 5.900 0.100 peak 4572 spectrum 1 weight 0.11000E+01 volume 0.32575E-03 ppm1 2.355 ppm2 0.910 CV 1 ASSI { 4574} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 132 and name HG2%) 4.500 4.500 1.500 peak 4574 spectrum 1 weight 0.11000E+01 volume 0.58829E-03 ppm1 1.750 ppm2 0.910 CV 1 ASSI { 4582} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 132 and name HD1%) 5.600 3.900 0.400 peak 4582 spectrum 1 weight 0.11000E+01 volume 0.14685E-03 ppm1 1.743 ppm2 0.455 CV 1 ASSI { 4583} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 132 and name HG12)) 6.000 5.100 0.000 peak 4583 spectrum 1 weight 0.10000E+01 volume 0.16595E-03 ppm1 1.796 ppm2 0.744 CV 1 ASSI { 4585} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 81 and name HG2 )) 2.600 2.600 3.400 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.27074E-03 ppm1 1.789 ppm2 2.160 CV 1 ASSI { 4590} (( segid " " and resid 130 and name HD1 )) (( segid " " and resid 132 and name HN )) 6.000 6.000 0.000 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.65963E-04 ppm1 3.495 ppm2 7.875 CV 1 ASSI { 4594} (( segid " " and resid 130 and name HG1 )) (( segid " " and resid 129 and name HA )) 6.000 6.000 0.000 peak 4594 spectrum 1 weight 0.11000E+01 volume 0.37830E-04 ppm1 1.786 ppm2 4.506 CV 1 ASSI { 4595} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 129 and name HA )) 6.000 5.700 0.000 peak 4595 spectrum 1 weight 0.11000E+01 volume 0.91933E-04 ppm1 3.374 ppm2 4.506 CV 1 ASSI { 4596} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 132 and name HA )) 6.000 4.900 0.000 peak 4596 spectrum 1 weight 0.11000E+01 volume 0.27661E-04 ppm1 1.473 ppm2 4.102 CV 1 ASSI { 4597} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 132 and name HA )) 5.600 4.000 0.400 peak 4597 spectrum 1 weight 0.11000E+01 volume 0.39115E-04 ppm1 1.763 ppm2 4.089 CV 1 ASSI { 4599} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HA )) 3.200 1.300 1.300 peak 4599 spectrum 1 weight 0.11000E+01 volume 0.98805E-03 ppm1 3.214 ppm2 3.868 CV 1 OR { 4599} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) ASSI { 4600} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HB1 )) 2.300 0.700 0.700 peak 4600 spectrum 1 weight 0.11000E+01 volume 0.33611E-02 ppm1 3.208 ppm2 3.213 CV 1 ASSI { 4603} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 4603 spectrum 1 weight 0.11000E+01 volume 0.96105E-03 ppm1 3.865 ppm2 3.197 CV 1 ASSI { 4604} (( segid " " and resid 135 and name HA )) (( segid " " and resid 118 and name HB2 )) 4.200 2.200 1.800 peak 4604 spectrum 1 weight 0.11000E+01 volume 0.50606E-03 ppm1 3.869 ppm2 3.525 CV 1 ASSI { 4606} (( segid " " and resid 135 and name HA )) (( segid " " and resid 137 and name HA )) 5.500 3.800 0.500 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.29503E-03 ppm1 3.863 ppm2 4.645 CV 1 ASSI { 4609} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 134 and name HB2 )) 4.600 2.700 1.400 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.15747E-03 ppm1 3.264 ppm2 2.022 CV 1 ASSI { 4612} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 137 and name HA )) 5.800 4.200 0.200 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.19714E-03 ppm1 3.216 ppm2 4.643 CV 1 OR { 4612} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 137 and name HA )) ASSI { 4613} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 118 and name HB2 )) 6.000 6.000 0.000 peak 4613 spectrum 1 weight 0.11000E+01 volume 0.81699E-04 ppm1 3.215 ppm2 3.522 CV 1 OR { 4613} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 118 and name HB2 )) ASSI { 4619} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 108 and name HA )) 3.900 1.900 1.900 peak 4619 spectrum 1 weight 0.11000E+01 volume 0.17542E-02 ppm1 0.780 ppm2 3.340 CV 1 ASSI { 4623} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 144 and name HD2%) 3.800 1.800 1.800 peak 4623 spectrum 1 weight 0.11000E+01 volume 0.49057E-03 ppm1 1.316 ppm2 0.892 CV 1 ASSI { 4627} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HG )) 4.300 2.300 1.700 peak 4627 spectrum 1 weight 0.11000E+01 volume 0.38257E-03 ppm1 1.311 ppm2 1.476 CV 1 ASSI { 4629} (( segid " " and resid 144 and name HG )) ( segid " " and resid 144 and name HD2%) 3.100 1.200 1.200 peak 4629 spectrum 1 weight 0.11000E+01 volume 0.11692E-02 ppm1 1.474 ppm2 0.855 CV 1 ASSI { 4630} (( segid " " and resid 144 and name HG )) (( segid " " and resid 144 and name HB1 )) 3.400 1.400 1.400 peak 4630 spectrum 1 weight 0.11000E+01 volume 0.61948E-03 ppm1 1.457 ppm2 2.362 CV 1 ASSI { 4632} ( segid " " and resid 144 and name HD1%) ( segid " " and resid 144 and name HD2%) 2.800 1.000 1.000 peak 4632 spectrum 1 weight 0.11000E+01 volume 0.30412E-02 ppm1 0.785 ppm2 0.892 CV 1 ASSI { 4633} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 144 and name HG )) 2.700 0.900 0.900 peak 4633 spectrum 1 weight 0.11000E+01 volume 0.29081E-02 ppm1 0.786 ppm2 1.470 CV 1 ASSI { 4634} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 144 and name HB2 )) 2.900 1.000 1.000 peak 4634 spectrum 1 weight 0.11000E+01 volume 0.21163E-02 ppm1 0.782 ppm2 1.307 CV 1 ASSI { 4635} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 144 and name HB1 )) 4.000 2.000 2.000 peak 4635 spectrum 1 weight 0.11000E+01 volume 0.12426E-02 ppm1 0.781 ppm2 2.370 CV 1 ASSI { 4636} ( segid " " and resid 144 and name HD2%) (( segid " " and resid 144 and name HB1 )) 3.300 1.300 1.300 peak 4636 spectrum 1 weight 0.11000E+01 volume 0.10147E-02 ppm1 0.890 ppm2 2.368 CV 1 ASSI { 4637} ( segid " " and resid 144 and name HD2%) (( segid " " and resid 144 and name HA )) 3.500 1.500 1.500 peak 4637 spectrum 1 weight 0.11000E+01 volume 0.34957E-02 ppm1 0.881 ppm2 4.666 CV 1 ASSI { 4642} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 103 and name HG2%) 3.900 1.900 1.900 peak 4642 spectrum 1 weight 0.11000E+01 volume 0.31860E-03 ppm1 1.299 ppm2 1.038 CV 1 ASSI { 4643} (( segid " " and resid 144 and name HB2 )) ( segid " " and resid 106 and name HE% ) 3.800 1.800 1.800 peak 4643 spectrum 1 weight 0.11000E+01 volume 0.48147E-03 ppm1 1.311 ppm2 1.973 CV 1 ASSI { 4646} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 68 and name HA )) 6.000 6.000 0.000 peak 4646 spectrum 1 weight 0.11000E+01 volume 0.79515E-04 ppm1 2.340 ppm2 5.612 CV 1 ASSI { 4649} (( segid " " and resid 144 and name HG )) ( segid " " and resid 108 and name HG1%) 3.600 1.700 1.700 peak 4649 spectrum 1 weight 0.11000E+01 volume 0.17562E-02 ppm1 1.469 ppm2 0.951 CV 1 ASSI { 4650} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 66 and name HB )) 2.700 0.900 0.900 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.20859E-02 ppm1 0.781 ppm2 1.699 CV 1 ASSI { 4654} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 67 and name HN )) 6.000 5.000 0.000 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.59004E-04 ppm1 0.779 ppm2 7.811 CV 1 ASSI { 4658} (( segid " " and resid 144 and name HB1 )) ( segid " " and resid 103 and name HG2%) 5.700 5.700 0.300 peak 4658 spectrum 1 weight 0.11000E+01 volume 0.13321E-03 ppm1 2.391 ppm2 1.051 CV 1 ASSI { 4661} ( segid " " and resid 106 and name HE% ) (( segid " " and resid 144 and name HB1 )) 3.700 1.700 1.700 peak 4661 spectrum 1 weight 0.11000E+01 volume 0.93690E-03 ppm1 1.978 ppm2 2.374 CV 1 ASSI { 4662} (( segid " " and resid 144 and name HG )) (( segid " " and resid 68 and name HA )) 6.000 6.000 0.000 peak 4662 spectrum 1 weight 0.11000E+01 volume 0.38495E-04 ppm1 1.448 ppm2 5.615 CV 1 ASSI { 4663} ( segid " " and resid 144 and name HD1%) ( segid " " and resid 106 and name HE% ) 2.100 2.100 3.900 peak 4663 spectrum 1 weight 0.11000E+01 volume 0.10139E-02 ppm1 0.789 ppm2 1.965 CV 1 ASSI { 4665} ( segid " " and resid 144 and name HD1%) ( segid " " and resid 108 and name HG1%) 3.100 3.100 2.900 peak 4665 spectrum 1 weight 0.11000E+01 volume 0.71403E-02 ppm1 0.785 ppm2 0.946 CV 1 ASSI { 4667} ( segid " " and resid 144 and name HD1%) ( segid " " and resid 66 and name HG2%) 4.800 2.900 1.200 peak 4667 spectrum 1 weight 0.11000E+01 volume 0.22621E-03 ppm1 0.784 ppm2 0.030 CV 1 ASSI { 1} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HB% ) 4.200 2.200 1.800 peak 1 spectrum 1 weight 0.11000E+01 volume 0.56149E-03 ppm1 8.029 ppm2 1.407 CV 1 ASSI { 2} (( segid " " and resid 90 and name HN )) ( segid " " and resid 90 and name HD2%) 4.600 2.600 1.400 peak 2 spectrum 1 weight 0.11000E+01 volume 0.99123E-03 ppm1 8.964 ppm2 0.733 CV 1 ASSI { 3} (( segid " " and resid 90 and name HN )) ( segid " " and resid 90 and name HD1%) 4.100 2.100 1.900 peak 3 spectrum 1 weight 0.11000E+01 volume 0.12814E-02 ppm1 8.965 ppm2 1.036 CV 1 ASSI { 4} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HG )) 4.200 2.200 1.800 peak 4 spectrum 1 weight 0.11000E+01 volume 0.12682E-02 ppm1 8.965 ppm2 1.565 CV 1 ASSI { 5} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB1 )) 2.800 1.000 1.000 peak 5 spectrum 1 weight 0.11000E+01 volume 0.30457E-02 ppm1 8.964 ppm2 1.943 CV 1 ASSI { 7} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.11000E+01 volume 0.20467E-02 ppm1 8.964 ppm2 4.332 CV 1 ASSI { 9} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 9 spectrum 1 weight 0.11000E+01 volume 0.29385E-02 ppm1 8.223 ppm2 4.254 CV 1 ASSI { 11} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB1 )) 3.300 1.400 1.400 peak 11 spectrum 1 weight 0.11000E+01 volume 0.43773E-02 ppm1 8.225 ppm2 1.587 CV 1 ASSI { 13} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HD2%) 4.600 2.700 1.400 peak 13 spectrum 1 weight 0.11000E+01 volume 0.58864E-03 ppm1 8.228 ppm2 0.499 CV 1 ASSI { 15} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.700 0.900 0.900 peak 15 spectrum 1 weight 0.11000E+01 volume 0.17792E-02 ppm1 7.252 ppm2 4.181 CV 1 ASSI { 16} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.600 0.800 0.800 peak 16 spectrum 1 weight 0.11000E+01 volume 0.38397E-02 ppm1 7.252 ppm2 1.324 CV 1 ASSI { 17} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HB1 )) 2.400 0.700 0.700 peak 17 spectrum 1 weight 0.11000E+01 volume 0.32221E-02 ppm1 7.252 ppm2 1.480 CV 1 ASSI { 18} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD1%) 3.300 3.300 2.700 peak 18 spectrum 1 weight 0.11000E+01 volume 0.36990E-02 ppm1 7.253 ppm2 1.285 CV 1 ASSI { 19} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HD2%) 3.800 1.800 1.800 peak 19 spectrum 1 weight 0.11000E+01 volume 0.24044E-02 ppm1 7.253 ppm2 0.740 CV 1 ASSI { 21} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 2.800 1.000 1.000 peak 21 spectrum 1 weight 0.11000E+01 volume 0.25286E-02 ppm1 8.803 ppm2 4.603 CV 1 ASSI { 22} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) 2.700 0.900 0.900 peak 22 spectrum 1 weight 0.11000E+01 volume 0.35054E-02 ppm1 8.805 ppm2 1.282 CV 1 ASSI { 23} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB1 )) 2.500 0.800 0.800 peak 23 spectrum 1 weight 0.11000E+01 volume 0.55375E-02 ppm1 8.805 ppm2 2.024 CV 1 ASSI { 25} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD1%) 4.100 2.100 1.900 peak 25 spectrum 1 weight 0.11000E+01 volume 0.16958E-02 ppm1 8.805 ppm2 0.969 CV 1 ASSI { 26} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HG )) 4.700 4.700 1.300 peak 26 spectrum 1 weight 0.11000E+01 volume 0.52418E-03 ppm1 8.798 ppm2 1.553 CV 1 ASSI { 30} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 30 spectrum 1 weight 0.11000E+01 volume 0.40062E-02 ppm1 8.639 ppm2 1.940 CV 1 OR { 30} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 31} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD1%) 5.100 5.100 0.900 peak 31 spectrum 1 weight 0.11000E+01 volume 0.74023E-03 ppm1 8.643 ppm2 1.221 CV 1 ASSI { 32} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD2%) 2.700 0.900 0.900 peak 32 spectrum 1 weight 0.11000E+01 volume 0.43356E-02 ppm1 8.640 ppm2 0.831 CV 1 ASSI { 33} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.11000E+01 volume 0.48538E-02 ppm1 8.640 ppm2 1.714 CV 1 ASSI { 34} (( segid " " and resid 74 and name HN )) ( segid " " and resid 138 and name HD1%) 3.700 3.700 2.300 peak 34 spectrum 1 weight 0.11000E+01 volume 0.21246E-02 ppm1 8.641 ppm2 0.955 CV 1 ASSI { 36} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 36 spectrum 1 weight 0.11000E+01 volume 0.58614E-02 ppm1 9.003 ppm2 5.373 CV 1 ASSI { 37} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) 2.800 1.000 1.000 peak 37 spectrum 1 weight 0.11000E+01 volume 0.20790E-02 ppm1 8.998 ppm2 1.884 CV 1 ASSI { 41} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD2%) 4.000 2.000 2.000 peak 41 spectrum 1 weight 0.11000E+01 volume 0.61201E-03 ppm1 8.999 ppm2 0.785 CV 1 ASSI { 42} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.800 0.900 0.900 peak 42 spectrum 1 weight 0.11000E+01 volume 0.37413E-02 ppm1 7.380 ppm2 4.357 CV 1 ASSI { 44} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 3.500 1.500 1.500 peak 44 spectrum 1 weight 0.11000E+01 volume 0.42034E-02 ppm1 7.380 ppm2 1.781 CV 1 ASSI { 45} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.200 2.200 3.800 peak 45 spectrum 1 weight 0.11000E+01 volume 0.65841E-02 ppm1 7.380 ppm2 1.670 CV 1 ASSI { 47} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HD1%) 4.100 2.100 1.900 peak 47 spectrum 1 weight 0.11000E+01 volume 0.18975E-02 ppm1 7.381 ppm2 0.968 CV 1 ASSI { 50} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HA )) 2.700 0.900 0.900 peak 50 spectrum 1 weight 0.11000E+01 volume 0.45231E-02 ppm1 8.702 ppm2 4.164 CV 1 ASSI { 51} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.11000E+01 volume 0.13868E-01 ppm1 8.703 ppm2 1.575 CV 1 OR { 51} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB2 )) ASSI { 52} (( segid " " and resid 150 and name HN )) ( segid " " and resid 150 and name HD2%) 3.400 1.400 1.400 peak 52 spectrum 1 weight 0.11000E+01 volume 0.30856E-02 ppm1 8.702 ppm2 0.852 CV 1 OR { 52} (( segid " " and resid 150 and name HN )) ( segid " " and resid 150 and name HD1%) ASSI { 55} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.300 0.700 0.700 peak 55 spectrum 1 weight 0.11000E+01 volume 0.32320E-02 ppm1 8.355 ppm2 1.689 CV 1 ASSI { 56} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.100 1.200 1.200 peak 56 spectrum 1 weight 0.11000E+01 volume 0.27619E-02 ppm1 8.356 ppm2 0.823 CV 1 OR { 56} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD1%) ASSI { 58} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG )) 3.600 3.600 2.400 peak 58 spectrum 1 weight 0.11000E+01 volume 0.10477E-02 ppm1 8.354 ppm2 1.327 CV 1 ASSI { 60} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.700 0.900 0.900 peak 60 spectrum 1 weight 0.11000E+01 volume 0.32494E-02 ppm1 7.651 ppm2 4.369 CV 1 ASSI { 61} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB1 )) 2.900 1.000 1.000 peak 61 spectrum 1 weight 0.11000E+01 volume 0.45913E-02 ppm1 7.651 ppm2 1.956 CV 1 ASSI { 62} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 62 spectrum 1 weight 0.11000E+01 volume 0.34808E-02 ppm1 7.654 ppm2 1.673 CV 1 ASSI { 63} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HG )) 3.400 1.400 1.400 peak 63 spectrum 1 weight 0.11000E+01 volume 0.48401E-02 ppm1 7.652 ppm2 1.563 CV 1 ASSI { 64} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HD2%) 2.700 2.700 3.300 peak 64 spectrum 1 weight 0.11000E+01 volume 0.30013E-02 ppm1 7.651 ppm2 0.821 CV 1 ASSI { 65} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HD1%) 2.600 0.800 0.800 peak 65 spectrum 1 weight 0.11000E+01 volume 0.24027E-02 ppm1 7.651 ppm2 0.929 CV 1 ASSI { 67} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.800 1.000 1.000 peak 67 spectrum 1 weight 0.11000E+01 volume 0.28665E-02 ppm1 9.581 ppm2 4.587 CV 1 ASSI { 68} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.700 0.900 0.900 peak 68 spectrum 1 weight 0.11000E+01 volume 0.43150E-02 ppm1 9.580 ppm2 1.914 CV 1 ASSI { 69} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.400 0.700 0.700 peak 69 spectrum 1 weight 0.11000E+01 volume 0.46036E-02 ppm1 9.581 ppm2 1.722 CV 1 ASSI { 71} (( segid " " and resid 37 and name HN )) ( segid " " and resid 37 and name HD1%) 4.600 2.700 1.400 peak 71 spectrum 1 weight 0.11000E+01 volume 0.11362E-02 ppm1 9.580 ppm2 0.972 CV 1 OR { 71} (( segid " " and resid 37 and name HN )) ( segid " " and resid 37 and name HD2%) ASSI { 74} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 74 spectrum 1 weight 0.11000E+01 volume 0.21477E-02 ppm1 8.636 ppm2 4.599 CV 1 ASSI { 75} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.300 0.700 0.700 peak 75 spectrum 1 weight 0.11000E+01 volume 0.39319E-02 ppm1 8.635 ppm2 1.604 CV 1 ASSI { 76} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.500 1.600 1.600 peak 76 spectrum 1 weight 0.11000E+01 volume 0.32166E-02 ppm1 8.636 ppm2 1.807 CV 1 ASSI { 77} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HG )) 3.100 1.200 1.200 peak 77 spectrum 1 weight 0.11000E+01 volume 0.29801E-02 ppm1 8.634 ppm2 1.353 CV 1 ASSI { 79} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD1%) 3.700 1.700 1.700 peak 79 spectrum 1 weight 0.11000E+01 volume 0.31672E-02 ppm1 8.634 ppm2 0.788 CV 1 ASSI { 81} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.11000E+01 volume 0.15350E-02 ppm1 9.127 ppm2 4.445 CV 1 ASSI { 83} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB1 )) 3.400 1.400 1.400 peak 83 spectrum 1 weight 0.11000E+01 volume 0.31462E-02 ppm1 9.127 ppm2 1.548 CV 1 ASSI { 88} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB1 )) 3.200 1.300 1.300 peak 88 spectrum 1 weight 0.11000E+01 volume 0.35685E-02 ppm1 8.256 ppm2 1.886 CV 1 ASSI { 89} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB2 )) 2.400 0.700 0.700 peak 89 spectrum 1 weight 0.11000E+01 volume 0.40232E-02 ppm1 8.258 ppm2 1.436 CV 1 ASSI { 90} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HD2%) 4.400 2.400 1.600 peak 90 spectrum 1 weight 0.11000E+01 volume 0.10713E-02 ppm1 8.255 ppm2 0.848 CV 1 ASSI { 91} (( segid " " and resid 138 and name HN )) ( segid " " and resid 138 and name HD1%) 3.800 1.800 1.800 peak 91 spectrum 1 weight 0.11000E+01 volume 0.13133E-02 ppm1 8.255 ppm2 1.101 CV 1 ASSI { 95} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB1 )) 2.900 1.100 1.100 peak 95 spectrum 1 weight 0.11000E+01 volume 0.26825E-02 ppm1 9.910 ppm2 1.871 CV 1 ASSI { 96} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HG )) 2.500 0.800 0.800 peak 96 spectrum 1 weight 0.11000E+01 volume 0.27128E-02 ppm1 9.911 ppm2 1.649 CV 1 ASSI { 97} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HD1%) 4.000 2.000 2.000 peak 97 spectrum 1 weight 0.11000E+01 volume 0.17919E-02 ppm1 9.912 ppm2 0.917 CV 1 ASSI { 102} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.400 1.400 1.400 peak 102 spectrum 1 weight 0.11000E+01 volume 0.13215E-02 ppm1 8.108 ppm2 4.206 CV 1 ASSI { 104} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB )) 2.800 1.000 1.000 peak 104 spectrum 1 weight 0.11000E+01 volume 0.32414E-02 ppm1 8.142 ppm2 2.050 CV 1 ASSI { 105} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG1%) 3.600 1.700 1.700 peak 105 spectrum 1 weight 0.11000E+01 volume 0.34178E-02 ppm1 8.140 ppm2 1.040 CV 1 ASSI { 106} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG2%) 3.100 3.100 2.900 peak 106 spectrum 1 weight 0.11000E+01 volume 0.25302E-02 ppm1 8.142 ppm2 0.893 CV 1 ASSI { 108} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.700 0.900 0.900 peak 108 spectrum 1 weight 0.11000E+01 volume 0.29756E-02 ppm1 7.937 ppm2 4.406 CV 1 ASSI { 109} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB )) 3.000 1.100 1.100 peak 109 spectrum 1 weight 0.11000E+01 volume 0.22610E-02 ppm1 7.940 ppm2 1.970 CV 1 ASSI { 114} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.100 0.600 0.600 peak 114 spectrum 1 weight 0.11000E+01 volume 0.71681E-02 ppm1 8.824 ppm2 4.452 CV 1 ASSI { 115} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB )) 2.900 1.100 1.100 peak 115 spectrum 1 weight 0.11000E+01 volume 0.46614E-02 ppm1 8.822 ppm2 1.720 CV 1 ASSI { 117} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HG1%) 2.400 0.800 0.800 peak 117 spectrum 1 weight 0.11000E+01 volume 0.53039E-02 ppm1 8.821 ppm2 0.844 CV 1 ASSI { 120} (( segid " " and resid 66 and name HN )) (( segid " " and resid 89 and name HA )) 4.100 2.100 1.900 peak 120 spectrum 1 weight 0.11000E+01 volume 0.18752E-02 ppm1 9.129 ppm2 4.574 CV 1 ASSI { 121} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 2.100 0.600 0.600 peak 121 spectrum 1 weight 0.11000E+01 volume 0.94896E-02 ppm1 9.129 ppm2 4.254 CV 1 ASSI { 123} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HG1%) 3.100 1.200 1.200 peak 123 spectrum 1 weight 0.11000E+01 volume 0.23071E-02 ppm1 9.129 ppm2 0.671 CV 1 ASSI { 126} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 126 spectrum 1 weight 0.11000E+01 volume 0.19929E-02 ppm1 9.581 ppm2 5.586 CV 1 ASSI { 129} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HG2%) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.11000E+01 volume 0.35267E-02 ppm1 9.579 ppm2 0.966 CV 1 ASSI { 130} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.000 0.500 0.500 peak 130 spectrum 1 weight 0.11000E+01 volume 0.10340E-01 ppm1 9.579 ppm2 5.302 CV 1 ASSI { 132} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 132 spectrum 1 weight 0.11000E+01 volume 0.26233E-02 ppm1 8.904 ppm2 4.386 CV 1 ASSI { 133} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 1.800 0.400 0.400 peak 133 spectrum 1 weight 0.11000E+01 volume 0.87368E-02 ppm1 8.904 ppm2 4.484 CV 1 ASSI { 134} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB )) 3.300 1.400 1.400 peak 134 spectrum 1 weight 0.11000E+01 volume 0.29399E-02 ppm1 8.904 ppm2 1.970 CV 1 ASSI { 135} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG2%) 2.300 0.600 0.600 peak 135 spectrum 1 weight 0.11000E+01 volume 0.36823E-02 ppm1 8.905 ppm2 0.811 CV 1 ASSI { 138} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 3.000 1.100 1.100 peak 138 spectrum 1 weight 0.11000E+01 volume 0.20840E-02 ppm1 8.337 ppm2 5.342 CV 1 ASSI { 139} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA )) 2.200 0.600 0.600 peak 139 spectrum 1 weight 0.11000E+01 volume 0.10051E-01 ppm1 8.334 ppm2 4.602 CV 1 ASSI { 142} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB )) 2.500 0.800 0.800 peak 142 spectrum 1 weight 0.11000E+01 volume 0.55672E-02 ppm1 8.334 ppm2 1.878 CV 1 ASSI { 144} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.800 1.000 1.000 peak 144 spectrum 1 weight 0.11000E+01 volume 0.32728E-02 ppm1 6.765 ppm2 4.280 CV 1 ASSI { 145} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 3.200 1.300 1.300 peak 145 spectrum 1 weight 0.11000E+01 volume 0.19000E-02 ppm1 6.765 ppm2 4.658 CV 1 ASSI { 148} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HG1%) 3.500 1.500 1.500 peak 148 spectrum 1 weight 0.11000E+01 volume 0.20117E-02 ppm1 6.762 ppm2 0.293 CV 1 ASSI { 150} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.900 1.000 1.000 peak 150 spectrum 1 weight 0.11000E+01 volume 0.22949E-02 ppm1 7.934 ppm2 3.944 CV 1 ASSI { 152} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) 2.300 0.700 0.700 peak 152 spectrum 1 weight 0.11000E+01 volume 0.48224E-02 ppm1 7.936 ppm2 2.277 CV 1 ASSI { 153} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG1%) 3.400 1.400 1.400 peak 153 spectrum 1 weight 0.11000E+01 volume 0.47103E-02 ppm1 7.936 ppm2 1.288 CV 1 ASSI { 154} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG2%) 2.800 1.000 1.000 peak 154 spectrum 1 weight 0.11000E+01 volume 0.21574E-02 ppm1 7.936 ppm2 1.017 CV 1 ASSI { 157} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.400 0.700 0.700 peak 157 spectrum 1 weight 0.11000E+01 volume 0.45091E-02 ppm1 8.467 ppm2 4.730 CV 1 ASSI { 158} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB )) 2.300 0.600 0.600 peak 158 spectrum 1 weight 0.11000E+01 volume 0.54879E-02 ppm1 8.468 ppm2 2.047 CV 1 ASSI { 159} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HG1%) 3.200 1.300 1.300 peak 159 spectrum 1 weight 0.11000E+01 volume 0.75012E-02 ppm1 8.468 ppm2 0.931 CV 1 ASSI { 160} (( segid " " and resid 108 and name HN )) ( segid " " and resid 108 and name HG2%) 3.000 1.100 1.100 peak 160 spectrum 1 weight 0.11000E+01 volume 0.30381E-02 ppm1 8.466 ppm2 0.839 CV 1 ASSI { 162} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.200 0.600 0.600 peak 162 spectrum 1 weight 0.11000E+01 volume 0.64335E-02 ppm1 9.711 ppm2 5.506 CV 1 ASSI { 163} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB )) 2.700 0.900 0.900 peak 163 spectrum 1 weight 0.11000E+01 volume 0.30171E-02 ppm1 9.713 ppm2 2.021 CV 1 ASSI { 166} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 2.900 1.000 1.000 peak 166 spectrum 1 weight 0.11000E+01 volume 0.19026E-02 ppm1 9.363 ppm2 5.043 CV 1 ASSI { 167} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HA )) 2.000 0.500 0.500 peak 167 spectrum 1 weight 0.11000E+01 volume 0.79590E-02 ppm1 9.361 ppm2 5.217 CV 1 ASSI { 168} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB )) 3.100 1.200 1.200 peak 168 spectrum 1 weight 0.11000E+01 volume 0.42558E-02 ppm1 9.362 ppm2 1.938 CV 1 ASSI { 169} (( segid " " and resid 142 and name HN )) ( segid " " and resid 142 and name HG1%) 3.600 1.700 1.700 peak 169 spectrum 1 weight 0.11000E+01 volume 0.97961E-03 ppm1 9.362 ppm2 0.911 CV 1 ASSI { 170} (( segid " " and resid 142 and name HN )) ( segid " " and resid 142 and name HG2%) 2.500 0.800 0.800 peak 170 spectrum 1 weight 0.11000E+01 volume 0.33047E-02 ppm1 9.361 ppm2 0.827 CV 1 ASSI { 172} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.900 1.000 1.000 peak 172 spectrum 1 weight 0.11000E+01 volume 0.25956E-02 ppm1 8.706 ppm2 4.583 CV 1 ASSI { 173} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 2.100 0.500 0.500 peak 173 spectrum 1 weight 0.11000E+01 volume 0.11507E-01 ppm1 8.705 ppm2 5.003 CV 1 ASSI { 174} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB )) 3.300 1.300 1.300 peak 174 spectrum 1 weight 0.11000E+01 volume 0.21146E-02 ppm1 8.703 ppm2 2.112 CV 1 ASSI { 175} (( segid " " and resid 148 and name HN )) ( segid " " and resid 148 and name HG2%) 2.700 0.900 0.900 peak 175 spectrum 1 weight 0.11000E+01 volume 0.51681E-02 ppm1 8.705 ppm2 0.841 CV 1 ASSI { 177} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.500 0.800 0.800 peak 177 spectrum 1 weight 0.11000E+01 volume 0.54402E-02 ppm1 9.114 ppm2 4.655 CV 1 ASSI { 178} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 3.000 1.100 1.100 peak 178 spectrum 1 weight 0.11000E+01 volume 0.19994E-02 ppm1 9.117 ppm2 3.950 CV 1 ASSI { 179} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB )) 3.000 1.100 1.100 peak 179 spectrum 1 weight 0.11000E+01 volume 0.54142E-02 ppm1 9.115 ppm2 3.821 CV 1 ASSI { 182} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.000 1.000 peak 182 spectrum 1 weight 0.11000E+01 volume 0.20322E-02 ppm1 7.829 ppm2 5.300 CV 1 ASSI { 183} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.100 0.600 0.600 peak 183 spectrum 1 weight 0.11000E+01 volume 0.96012E-02 ppm1 7.828 ppm2 5.053 CV 1 ASSI { 184} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HG2%) 3.000 1.100 1.100 peak 184 spectrum 1 weight 0.11000E+01 volume 0.21466E-02 ppm1 7.829 ppm2 1.071 CV 1 ASSI { 185} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB )) 3.100 1.200 1.200 peak 185 spectrum 1 weight 0.11000E+01 volume 0.33913E-02 ppm1 7.828 ppm2 3.979 CV 1 ASSI { 187} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.900 1.000 1.000 peak 187 spectrum 1 weight 0.11000E+01 volume 0.18243E-02 ppm1 9.111 ppm2 4.886 CV 1 ASSI { 188} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 2.100 0.500 0.500 peak 188 spectrum 1 weight 0.11000E+01 volume 0.96912E-02 ppm1 9.114 ppm2 5.019 CV 1 ASSI { 189} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB )) 2.300 0.700 0.700 peak 189 spectrum 1 weight 0.11000E+01 volume 0.40317E-02 ppm1 9.114 ppm2 4.003 CV 1 ASSI { 192} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.11000E+01 volume 0.12016E-01 ppm1 7.769 ppm2 4.052 CV 1 OR { 192} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) ASSI { 193} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 3.900 1.900 1.900 peak 193 spectrum 1 weight 0.11000E+01 volume 0.20410E-02 ppm1 7.769 ppm2 1.223 CV 1 ASSI { 196} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 3.000 1.100 1.100 peak 196 spectrum 1 weight 0.11000E+01 volume 0.18844E-02 ppm1 9.140 ppm2 4.574 CV 1 ASSI { 197} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 2.400 0.700 0.700 peak 197 spectrum 1 weight 0.11000E+01 volume 0.80209E-02 ppm1 9.140 ppm2 4.961 CV 1 ASSI { 198} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB )) 2.400 0.700 0.700 peak 198 spectrum 1 weight 0.11000E+01 volume 0.61006E-02 ppm1 9.140 ppm2 4.137 CV 1 ASSI { 202} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 202 spectrum 1 weight 0.11000E+01 volume 0.58932E-02 ppm1 8.981 ppm2 4.617 CV 1 ASSI { 204} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB )) 2.700 0.900 0.900 peak 204 spectrum 1 weight 0.11000E+01 volume 0.29734E-02 ppm1 8.980 ppm2 3.765 CV 1 ASSI { 207} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.200 0.600 0.600 peak 207 spectrum 1 weight 0.11000E+01 volume 0.75239E-02 ppm1 9.293 ppm2 5.601 CV 1 ASSI { 208} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HG2%) 3.800 1.800 1.800 peak 208 spectrum 1 weight 0.11000E+01 volume 0.19671E-02 ppm1 9.291 ppm2 1.109 CV 1 ASSI { 211} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.800 1.000 1.000 peak 211 spectrum 1 weight 0.11000E+01 volume 0.26268E-02 ppm1 9.171 ppm2 5.600 CV 1 ASSI { 212} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.100 0.600 0.600 peak 212 spectrum 1 weight 0.11000E+01 volume 0.93071E-02 ppm1 9.169 ppm2 5.051 CV 1 ASSI { 213} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HB )) 2.600 0.800 0.800 peak 213 spectrum 1 weight 0.11000E+01 volume 0.30036E-02 ppm1 9.169 ppm2 4.073 CV 1 ASSI { 214} (( segid " " and resid 143 and name HN )) ( segid " " and resid 143 and name HG2%) 4.100 2.100 1.900 peak 214 spectrum 1 weight 0.11000E+01 volume 0.13905E-02 ppm1 9.168 ppm2 1.046 CV 1 ASSI { 216} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) 2.800 1.000 1.000 peak 216 spectrum 1 weight 0.11000E+01 volume 0.28714E-02 ppm1 7.358 ppm2 4.511 CV 1 ASSI { 218} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HB )) 3.000 1.200 1.200 peak 218 spectrum 1 weight 0.11000E+01 volume 0.19550E-02 ppm1 7.361 ppm2 4.048 CV 1 ASSI { 219} (( segid " " and resid 146 and name HN )) ( segid " " and resid 146 and name HG2%) 3.700 1.700 1.700 peak 219 spectrum 1 weight 0.11000E+01 volume 0.28327E-02 ppm1 7.361 ppm2 1.083 CV 1 ASSI { 221} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 3.100 1.200 1.200 peak 221 spectrum 1 weight 0.11000E+01 volume 0.19199E-02 ppm1 8.361 ppm2 4.415 CV 1 ASSI { 222} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HB% ) 3.900 3.900 2.100 peak 222 spectrum 1 weight 0.11000E+01 volume 0.72654E-03 ppm1 8.359 ppm2 1.369 CV 1 ASSI { 223} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 4.800 2.800 1.200 peak 223 spectrum 1 weight 0.11000E+01 volume 0.19857E-03 ppm1 8.356 ppm2 4.278 CV 1 ASSI { 226} (( segid " " and resid 9 and name HN )) ( segid " " and resid 9 and name HB% ) 3.700 1.700 1.700 peak 226 spectrum 1 weight 0.11000E+01 volume 0.10887E-02 ppm1 8.211 ppm2 1.386 CV 1 ASSI { 227} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA1 )) 4.000 2.000 2.000 peak 227 spectrum 1 weight 0.11000E+01 volume 0.57872E-03 ppm1 8.035 ppm2 3.931 CV 1 OR { 227} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA2 )) ASSI { 230} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HB% ) 3.800 1.800 1.800 peak 230 spectrum 1 weight 0.11000E+01 volume 0.10120E-02 ppm1 8.136 ppm2 1.411 CV 1 ASSI { 233} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HB% ) 3.700 1.700 1.700 peak 233 spectrum 1 weight 0.11000E+01 volume 0.11358E-02 ppm1 8.066 ppm2 1.388 CV 1 ASSI { 236} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HB% ) 3.600 1.600 1.600 peak 236 spectrum 1 weight 0.11000E+01 volume 0.13487E-02 ppm1 8.030 ppm2 1.391 CV 1 ASSI { 238} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 1.900 0.400 0.400 peak 238 spectrum 1 weight 0.11000E+01 volume 0.36717E-01 ppm1 8.331 ppm2 4.396 CV 1 ASSI { 239} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.700 0.900 0.900 peak 239 spectrum 1 weight 0.11000E+01 volume 0.47851E-02 ppm1 8.327 ppm2 4.583 CV 1 ASSI { 240} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HB% ) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.11000E+01 volume 0.87117E-02 ppm1 8.333 ppm2 1.358 CV 1 ASSI { 242} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 4.000 2.000 2.000 peak 242 spectrum 1 weight 0.11000E+01 volume 0.56526E-03 ppm1 8.495 ppm2 4.489 CV 1 ASSI { 243} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 3.500 1.600 1.600 peak 243 spectrum 1 weight 0.11000E+01 volume 0.76337E-03 ppm1 8.491 ppm2 4.700 CV 1 ASSI { 245} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.900 1.100 1.100 peak 245 spectrum 1 weight 0.11000E+01 volume 0.32027E-02 ppm1 8.385 ppm2 4.610 CV 1 ASSI { 246} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 2.200 0.600 0.600 peak 246 spectrum 1 weight 0.11000E+01 volume 0.16642E-01 ppm1 8.385 ppm2 4.414 CV 1 ASSI { 247} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HB% ) 2.800 1.000 1.000 peak 247 spectrum 1 weight 0.11000E+01 volume 0.52024E-02 ppm1 8.383 ppm2 1.383 CV 1 ASSI { 249} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.600 0.900 0.900 peak 249 spectrum 1 weight 0.11000E+01 volume 0.34928E-02 ppm1 8.965 ppm2 3.824 CV 1 ASSI { 250} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 2.900 1.000 1.000 peak 250 spectrum 1 weight 0.11000E+01 volume 0.17315E-02 ppm1 8.965 ppm2 4.010 CV 1 ASSI { 251} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HB% ) 2.300 0.700 0.700 peak 251 spectrum 1 weight 0.11000E+01 volume 0.72009E-02 ppm1 8.965 ppm2 1.119 CV 1 ASSI { 254} (( segid " " and resid 112 and name HN )) ( segid " " and resid 112 and name HB% ) 2.900 1.000 1.000 peak 254 spectrum 1 weight 0.11000E+01 volume 0.25822E-02 ppm1 9.967 ppm2 1.520 CV 1 ASSI { 255} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.300 0.700 0.700 peak 255 spectrum 1 weight 0.11000E+01 volume 0.66798E-02 ppm1 9.969 ppm2 5.602 CV 1 ASSI { 258} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.200 0.600 0.600 peak 258 spectrum 1 weight 0.11000E+01 volume 0.78417E-02 ppm1 8.641 ppm2 5.118 CV 1 ASSI { 259} (( segid " " and resid 116 and name HN )) ( segid " " and resid 116 and name HB% ) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.11000E+01 volume 0.41195E-02 ppm1 8.641 ppm2 1.100 CV 1 ASSI { 262} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 2.800 1.000 1.000 peak 262 spectrum 1 weight 0.11000E+01 volume 0.29760E-02 ppm1 7.407 ppm2 4.393 CV 1 ASSI { 263} (( segid " " and resid 136 and name HN )) ( segid " " and resid 136 and name HB% ) 2.500 0.800 0.800 peak 263 spectrum 1 weight 0.11000E+01 volume 0.58498E-02 ppm1 7.406 ppm2 1.256 CV 1 ASSI { 265} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.900 1.000 1.000 peak 265 spectrum 1 weight 0.11000E+01 volume 0.21350E-02 ppm1 8.401 ppm2 4.630 CV 1 ASSI { 266} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.100 0.500 0.500 peak 266 spectrum 1 weight 0.11000E+01 volume 0.15109E-01 ppm1 8.404 ppm2 4.395 CV 1 ASSI { 267} (( segid " " and resid 137 and name HN )) ( segid " " and resid 137 and name HB% ) 2.500 0.800 0.800 peak 267 spectrum 1 weight 0.11000E+01 volume 0.76048E-02 ppm1 8.407 ppm2 1.443 CV 1 ASSI { 269} (( segid " " and resid 147 and name HN )) (( segid " " and resid 147 and name HA )) 2.700 0.900 0.900 peak 269 spectrum 1 weight 0.11000E+01 volume 0.31736E-02 ppm1 8.279 ppm2 5.002 CV 1 ASSI { 270} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.200 0.600 0.600 peak 270 spectrum 1 weight 0.11000E+01 volume 0.15043E-01 ppm1 8.283 ppm2 4.514 CV 1 ASSI { 271} (( segid " " and resid 147 and name HN )) ( segid " " and resid 147 and name HB% ) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.11000E+01 volume 0.65237E-02 ppm1 8.283 ppm2 1.108 CV 1 ASSI { 273} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.900 1.000 1.000 peak 273 spectrum 1 weight 0.11000E+01 volume 0.23614E-02 ppm1 8.293 ppm2 3.457 CV 1 ASSI { 274} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB )) 2.300 0.700 0.700 peak 274 spectrum 1 weight 0.11000E+01 volume 0.42024E-02 ppm1 8.295 ppm2 1.608 CV 1 ASSI { 275} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG11)) 2.200 0.600 0.600 peak 275 spectrum 1 weight 0.11000E+01 volume 0.40121E-02 ppm1 8.295 ppm2 1.789 CV 1 ASSI { 276} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG12)) 3.300 1.300 1.300 peak 276 spectrum 1 weight 0.11000E+01 volume 0.27843E-02 ppm1 8.294 ppm2 0.971 CV 1 ASSI { 277} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD1%) 3.800 1.800 1.800 peak 277 spectrum 1 weight 0.11000E+01 volume 0.27569E-02 ppm1 8.295 ppm2 0.760 CV 1 OR { 277} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) ASSI { 278} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 2.200 0.600 0.600 peak 278 spectrum 1 weight 0.11000E+01 volume 0.43944E-02 ppm1 8.294 ppm2 4.762 CV 1 ASSI { 280} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.700 0.900 0.900 peak 280 spectrum 1 weight 0.11000E+01 volume 0.17579E-02 ppm1 7.638 ppm2 4.004 CV 1 ASSI { 281} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.800 1.000 1.000 peak 281 spectrum 1 weight 0.11000E+01 volume 0.56390E-02 ppm1 7.639 ppm2 4.295 CV 1 ASSI { 283} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HD1%) 3.800 1.800 1.800 peak 283 spectrum 1 weight 0.11000E+01 volume 0.23527E-02 ppm1 7.638 ppm2 0.747 CV 1 ASSI { 284} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HG2%) 2.600 2.600 3.400 peak 284 spectrum 1 weight 0.11000E+01 volume 0.43552E-02 ppm1 7.639 ppm2 0.267 CV 1 ASSI { 285} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG12)) 2.200 0.600 0.600 peak 285 spectrum 1 weight 0.11000E+01 volume 0.39871E-02 ppm1 7.639 ppm2 1.153 CV 1 ASSI { 288} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.200 0.600 0.600 peak 288 spectrum 1 weight 0.11000E+01 volume 0.98345E-02 ppm1 7.855 ppm2 4.388 CV 1 ASSI { 290} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HB )) 2.600 0.800 0.800 peak 290 spectrum 1 weight 0.11000E+01 volume 0.21676E-02 ppm1 7.854 ppm2 1.128 CV 1 ASSI { 293} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG12)) 3.500 1.500 1.500 peak 293 spectrum 1 weight 0.11000E+01 volume 0.77943E-03 ppm1 7.855 ppm2 0.739 CV 1 ASSI { 294} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG11)) 3.200 1.200 1.200 peak 294 spectrum 1 weight 0.11000E+01 volume 0.11579E-02 ppm1 7.856 ppm2 0.982 CV 1 ASSI { 296} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.500 0.800 0.800 peak 296 spectrum 1 weight 0.11000E+01 volume 0.67746E-02 ppm1 8.282 ppm2 4.712 CV 1 ASSI { 297} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.100 0.500 0.500 peak 297 spectrum 1 weight 0.11000E+01 volume 0.14234E-01 ppm1 8.274 ppm2 4.287 CV 1 ASSI { 298} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.11000E+01 volume 0.48872E-02 ppm1 8.270 ppm2 3.054 CV 1 ASSI { 301} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HE1 )) 4.600 2.600 1.400 peak 301 spectrum 1 weight 0.11000E+01 volume 0.45618E-03 ppm1 8.280 ppm2 10.072 CV 1 ASSI { 302} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 36 and name HA )) 4.000 2.000 2.000 peak 302 spectrum 1 weight 0.11000E+01 volume 0.26327E-02 ppm1 10.075 ppm2 4.727 CV 1 ASSI { 303} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 36 and name HD1 )) 2.900 1.100 1.100 peak 303 spectrum 1 weight 0.11000E+01 volume 0.34603E-02 ppm1 10.072 ppm2 7.278 CV 1 ASSI { 304} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HD1 )) 2.800 1.000 1.000 peak 304 spectrum 1 weight 0.11000E+01 volume 0.32976E-02 ppm1 8.271 ppm2 7.273 CV 1 ASSI { 306} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA2 )) 2.900 1.100 1.100 peak 306 spectrum 1 weight 0.11000E+01 volume 0.24877E-02 ppm1 7.805 ppm2 3.739 CV 1 ASSI { 307} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA1 )) 4.100 2.100 1.900 peak 307 spectrum 1 weight 0.11000E+01 volume 0.22186E-02 ppm1 7.804 ppm2 4.159 CV 1 ASSI { 308} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.500 0.800 0.800 peak 308 spectrum 1 weight 0.11000E+01 volume 0.57185E-02 ppm1 7.805 ppm2 3.956 CV 1 ASSI { 309} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB1 )) 3.000 1.100 1.100 peak 309 spectrum 1 weight 0.11000E+01 volume 0.59787E-02 ppm1 7.806 ppm2 4.042 CV 1 ASSI { 310} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 2.600 0.800 0.800 peak 310 spectrum 1 weight 0.11000E+01 volume 0.76370E-02 ppm1 7.806 ppm2 4.352 CV 1 ASSI { 312} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.600 0.800 0.800 peak 312 spectrum 1 weight 0.11000E+01 volume 0.42348E-02 ppm1 8.204 ppm2 4.758 CV 1 ASSI { 313} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.200 0.600 0.600 peak 313 spectrum 1 weight 0.11000E+01 volume 0.16052E-01 ppm1 8.205 ppm2 4.347 CV 1 ASSI { 314} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB1 )) 2.900 2.900 3.100 peak 314 spectrum 1 weight 0.11000E+01 volume 0.28985E-02 ppm1 8.202 ppm2 3.934 CV 1 ASSI { 315} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB2 )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.11000E+01 volume 0.34931E-02 ppm1 8.204 ppm2 3.800 CV 1 ASSI { 317} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.700 0.900 0.900 peak 317 spectrum 1 weight 0.11000E+01 volume 0.20998E-02 ppm1 9.176 ppm2 5.518 CV 1 ASSI { 318} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.100 0.600 0.600 peak 318 spectrum 1 weight 0.11000E+01 volume 0.10343E-01 ppm1 9.175 ppm2 4.881 CV 1 ASSI { 319} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.800 1.000 1.000 peak 319 spectrum 1 weight 0.11000E+01 volume 0.34919E-02 ppm1 9.175 ppm2 3.713 CV 1 OR { 319} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 321} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 321 spectrum 1 weight 0.11000E+01 volume 0.28993E-02 ppm1 7.165 ppm2 4.453 CV 1 ASSI { 322} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 3.300 1.400 1.400 peak 322 spectrum 1 weight 0.11000E+01 volume 0.14205E-02 ppm1 7.165 ppm2 4.244 CV 1 ASSI { 324} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB1 )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.11000E+01 volume 0.32973E-02 ppm1 7.166 ppm2 3.598 CV 1 ASSI { 326} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) 2.700 0.900 0.900 peak 326 spectrum 1 weight 0.11000E+01 volume 0.26788E-02 ppm1 8.616 ppm2 3.939 CV 1 ASSI { 327} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 327 spectrum 1 weight 0.11000E+01 volume 0.27801E-02 ppm1 8.614 ppm2 3.512 CV 1 ASSI { 328} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) 2.800 1.000 1.000 peak 328 spectrum 1 weight 0.11000E+01 volume 0.34022E-02 ppm1 8.617 ppm2 3.573 CV 1 ASSI { 330} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.300 0.700 0.700 peak 330 spectrum 1 weight 0.11000E+01 volume 0.40974E-02 ppm1 8.488 ppm2 3.499 CV 1 ASSI { 331} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA1 )) 2.800 1.000 1.000 peak 331 spectrum 1 weight 0.11000E+01 volume 0.59164E-02 ppm1 8.488 ppm2 3.800 CV 1 ASSI { 332} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.600 0.800 0.800 peak 332 spectrum 1 weight 0.11000E+01 volume 0.34319E-02 ppm1 8.488 ppm2 4.494 CV 1 ASSI { 333} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB1 )) 2.300 0.700 0.700 peak 333 spectrum 1 weight 0.11000E+01 volume 0.29984E-02 ppm1 8.488 ppm2 2.996 CV 1 ASSI { 334} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) 2.700 0.900 0.900 peak 334 spectrum 1 weight 0.11000E+01 volume 0.27163E-02 ppm1 8.487 ppm2 2.696 CV 1 ASSI { 337} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 4.200 2.200 1.800 peak 337 spectrum 1 weight 0.11000E+01 volume 0.43493E-03 ppm1 8.497 ppm2 4.402 CV 1 ASSI { 338} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA2 )) 4.300 2.300 1.700 peak 338 spectrum 1 weight 0.11000E+01 volume 0.40778E-03 ppm1 8.486 ppm2 3.930 CV 1 OR { 338} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA1 )) ASSI { 341} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA1 )) 2.900 1.100 1.100 peak 341 spectrum 1 weight 0.11000E+01 volume 0.41365E-02 ppm1 7.561 ppm2 4.124 CV 1 ASSI { 342} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA2 )) 2.300 0.700 0.700 peak 342 spectrum 1 weight 0.11000E+01 volume 0.55964E-02 ppm1 7.560 ppm2 3.609 CV 1 ASSI { 349} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA1 )) 2.900 1.000 1.000 peak 349 spectrum 1 weight 0.11000E+01 volume 0.32341E-02 ppm1 9.204 ppm2 3.999 CV 1 ASSI { 350} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA2 )) 2.400 0.700 0.700 peak 350 spectrum 1 weight 0.11000E+01 volume 0.42617E-02 ppm1 9.205 ppm2 3.412 CV 1 ASSI { 353} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 4.100 4.100 1.900 peak 353 spectrum 1 weight 0.11000E+01 volume 0.52772E-03 ppm1 8.838 ppm2 4.366 CV 1 ASSI { 356} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 1.900 0.500 0.500 peak 356 spectrum 1 weight 0.11000E+01 volume 0.10888E-01 ppm1 8.735 ppm2 3.592 CV 1 ASSI { 357} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA2 )) 2.300 0.600 0.600 peak 357 spectrum 1 weight 0.11000E+01 volume 0.57619E-02 ppm1 8.735 ppm2 3.515 CV 1 ASSI { 358} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA1 )) 2.700 0.900 0.900 peak 358 spectrum 1 weight 0.11000E+01 volume 0.43759E-02 ppm1 8.735 ppm2 4.421 CV 1 ASSI { 360} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.200 1.300 1.300 peak 360 spectrum 1 weight 0.11000E+01 volume 0.22483E-02 ppm1 8.196 ppm2 4.554 CV 1 ASSI { 361} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA1 )) 2.900 1.100 1.100 peak 361 spectrum 1 weight 0.11000E+01 volume 0.49771E-02 ppm1 8.196 ppm2 4.407 CV 1 ASSI { 362} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA2 )) 2.300 0.700 0.700 peak 362 spectrum 1 weight 0.11000E+01 volume 0.81602E-02 ppm1 8.197 ppm2 3.763 CV 1 ASSI { 364} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 2.100 0.600 0.600 peak 364 spectrum 1 weight 0.11000E+01 volume 0.74098E-02 ppm1 10.629 ppm2 4.331 CV 1 ASSI { 365} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA1 )) 2.900 1.000 1.000 peak 365 spectrum 1 weight 0.11000E+01 volume 0.34959E-02 ppm1 10.624 ppm2 4.267 CV 1 ASSI { 366} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA2 )) 2.500 0.800 0.800 peak 366 spectrum 1 weight 0.11000E+01 volume 0.34905E-02 ppm1 10.629 ppm2 3.922 CV 1 ASSI { 368} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.100 0.600 0.600 peak 368 spectrum 1 weight 0.11000E+01 volume 0.70287E-02 ppm1 8.830 ppm2 3.322 CV 1 ASSI { 369} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA2 )) 2.500 0.800 0.800 peak 369 spectrum 1 weight 0.11000E+01 volume 0.39977E-02 ppm1 8.829 ppm2 3.717 CV 1 ASSI { 370} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA1 )) 3.200 1.300 1.300 peak 370 spectrum 1 weight 0.11000E+01 volume 0.27227E-02 ppm1 8.828 ppm2 4.392 CV 1 ASSI { 372} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 3.100 1.200 1.200 peak 372 spectrum 1 weight 0.11000E+01 volume 0.12979E-02 ppm1 7.988 ppm2 4.496 CV 1 ASSI { 373} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA2 )) 2.600 0.800 0.800 peak 373 spectrum 1 weight 0.11000E+01 volume 0.61745E-02 ppm1 7.988 ppm2 3.558 CV 1 ASSI { 377} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA1 )) 3.000 1.100 1.100 peak 377 spectrum 1 weight 0.11000E+01 volume 0.31217E-02 ppm1 7.065 ppm2 3.799 CV 1 ASSI { 378} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.400 0.700 0.700 peak 378 spectrum 1 weight 0.11000E+01 volume 0.42203E-02 ppm1 7.066 ppm2 3.499 CV 1 ASSI { 380} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.700 0.900 0.900 peak 380 spectrum 1 weight 0.11000E+01 volume 0.44166E-02 ppm1 8.661 ppm2 3.975 CV 1 ASSI { 381} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.300 0.600 0.600 peak 381 spectrum 1 weight 0.11000E+01 volume 0.62482E-02 ppm1 8.660 ppm2 4.717 CV 1 ASSI { 383} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG1 )) 3.300 3.300 2.700 peak 383 spectrum 1 weight 0.11000E+01 volume 0.15801E-02 ppm1 8.658 ppm2 2.214 CV 1 OR { 383} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG2 )) ASSI { 387} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.900 3.900 2.100 peak 387 spectrum 1 weight 0.11000E+01 volume 0.59383E-03 ppm1 8.700 ppm2 2.173 CV 1 ASSI { 388} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 4.000 2.000 2.000 peak 388 spectrum 1 weight 0.11000E+01 volume 0.76313E-03 ppm1 8.702 ppm2 2.049 CV 1 OR { 388} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG2 )) ASSI { 390} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 2.100 0.500 0.500 peak 390 spectrum 1 weight 0.11000E+01 volume 0.13047E-01 ppm1 9.067 ppm2 5.037 CV 1 ASSI { 391} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG2 )) 3.300 1.400 1.400 peak 391 spectrum 1 weight 0.11000E+01 volume 0.45321E-02 ppm1 9.067 ppm2 2.180 CV 1 OR { 391} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG1 )) ASSI { 392} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB1 )) 2.500 0.800 0.800 peak 392 spectrum 1 weight 0.11000E+01 volume 0.45311E-02 ppm1 9.065 ppm2 2.062 CV 1 ASSI { 393} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.000 1.100 1.100 peak 393 spectrum 1 weight 0.11000E+01 volume 0.35217E-02 ppm1 9.066 ppm2 1.920 CV 1 ASSI { 395} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.600 0.800 0.800 peak 395 spectrum 1 weight 0.11000E+01 volume 0.33918E-02 ppm1 8.308 ppm2 4.390 CV 1 ASSI { 396} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB1 )) 3.000 1.100 1.100 peak 396 spectrum 1 weight 0.11000E+01 volume 0.52838E-02 ppm1 8.310 ppm2 1.984 CV 1 OR { 396} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG1 )) OR { 396} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HG2 )) ASSI { 397} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB2 )) 2.700 0.900 0.900 peak 397 spectrum 1 weight 0.11000E+01 volume 0.34114E-02 ppm1 8.309 ppm2 1.728 CV 1 ASSI { 399} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 3.000 1.100 1.100 peak 399 spectrum 1 weight 0.11000E+01 volume 0.22762E-02 ppm1 8.479 ppm2 4.615 CV 1 ASSI { 403} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.100 0.600 0.600 peak 403 spectrum 1 weight 0.11000E+01 volume 0.96771E-02 ppm1 9.189 ppm2 5.279 CV 1 ASSI { 404} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.100 1.200 1.200 peak 404 spectrum 1 weight 0.11000E+01 volume 0.42786E-02 ppm1 9.189 ppm2 1.953 CV 1 OR { 404} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG2 )) ASSI { 405} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) 2.400 0.700 0.700 peak 405 spectrum 1 weight 0.11000E+01 volume 0.44149E-02 ppm1 9.189 ppm2 2.008 CV 1 ASSI { 408} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 2.400 0.700 0.700 peak 408 spectrum 1 weight 0.11000E+01 volume 0.13257E-01 ppm1 8.515 ppm2 4.159 CV 1 ASSI { 410} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB1 )) 2.800 1.000 1.000 peak 410 spectrum 1 weight 0.11000E+01 volume 0.48378E-02 ppm1 8.513 ppm2 2.067 CV 1 OR { 410} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG2 )) ASSI { 411} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 2.400 0.700 0.700 peak 411 spectrum 1 weight 0.11000E+01 volume 0.72105E-02 ppm1 8.512 ppm2 1.950 CV 1 ASSI { 412} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.500 3.500 2.500 peak 412 spectrum 1 weight 0.11000E+01 volume 0.31293E-02 ppm1 8.512 ppm2 2.308 CV 1 ASSI { 413} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.300 2.300 3.700 peak 413 spectrum 1 weight 0.11000E+01 volume 0.16078E-01 ppm1 8.511 ppm2 4.422 CV 1 ASSI { 415} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 415 spectrum 1 weight 0.11000E+01 volume 0.35746E-02 ppm1 8.396 ppm2 4.524 CV 1 ASSI { 416} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 2.100 0.600 0.600 peak 416 spectrum 1 weight 0.11000E+01 volume 0.19156E-01 ppm1 8.399 ppm2 4.419 CV 1 ASSI { 420} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.300 0.600 0.600 peak 420 spectrum 1 weight 0.11000E+01 volume 0.84336E-02 ppm1 8.947 ppm2 4.253 CV 1 ASSI { 421} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) 3.000 1.100 1.100 peak 421 spectrum 1 weight 0.11000E+01 volume 0.33300E-02 ppm1 8.947 ppm2 4.844 CV 1 ASSI { 422} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB1 )) 3.500 1.500 1.500 peak 422 spectrum 1 weight 0.11000E+01 volume 0.21574E-02 ppm1 8.946 ppm2 3.197 CV 1 OR { 422} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB2 )) ASSI { 424} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HA )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.11000E+01 volume 0.25451E-02 ppm1 7.717 ppm2 4.455 CV 1 ASSI { 426} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) 3.400 1.500 1.500 peak 426 spectrum 1 weight 0.11000E+01 volume 0.26250E-02 ppm1 7.718 ppm2 3.247 CV 1 ASSI { 429} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 1.000 1.000 peak 429 spectrum 1 weight 0.11000E+01 volume 0.24624E-02 ppm1 8.829 ppm2 5.079 CV 1 ASSI { 430} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HA )) 2.200 0.600 0.600 peak 430 spectrum 1 weight 0.11000E+01 volume 0.87720E-02 ppm1 8.828 ppm2 5.232 CV 1 ASSI { 431} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.100 1.200 1.200 peak 431 spectrum 1 weight 0.11000E+01 volume 0.24809E-02 ppm1 8.828 ppm2 2.878 CV 1 ASSI { 432} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HB2 )) 2.900 1.100 1.100 peak 432 spectrum 1 weight 0.11000E+01 volume 0.24742E-02 ppm1 8.828 ppm2 2.674 CV 1 ASSI { 436} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA1 )) 3.200 1.300 1.300 peak 436 spectrum 1 weight 0.11000E+01 volume 0.15674E-02 ppm1 7.070 ppm2 4.115 CV 1 ASSI { 441} (( segid " " and resid 42 and name HD22)) (( segid " " and resid 42 and name HD21)) 1.900 0.400 0.400 peak 441 spectrum 1 weight 0.11000E+01 volume 0.39401E-02 ppm1 7.848 ppm2 6.493 CV 1 ASSI { 443} (( segid " " and resid 42 and name HD22)) (( segid " " and resid 42 and name HB1 )) 4.300 2.300 1.700 peak 443 spectrum 1 weight 0.11000E+01 volume 0.64602E-03 ppm1 7.851 ppm2 3.294 CV 1 ASSI { 444} (( segid " " and resid 42 and name HD22)) (( segid " " and resid 42 and name HB2 )) 3.900 1.900 1.900 peak 444 spectrum 1 weight 0.11000E+01 volume 0.11289E-02 ppm1 7.854 ppm2 2.756 CV 1 ASSI { 445} (( segid " " and resid 42 and name HD21)) (( segid " " and resid 42 and name HB2 )) 3.400 1.500 1.500 peak 445 spectrum 1 weight 0.11000E+01 volume 0.10044E-02 ppm1 6.491 ppm2 2.770 CV 1 ASSI { 446} (( segid " " and resid 42 and name HD21)) (( segid " " and resid 42 and name HB1 )) 3.700 1.700 1.700 peak 446 spectrum 1 weight 0.11000E+01 volume 0.76998E-03 ppm1 6.489 ppm2 3.280 CV 1 ASSI { 452} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 76 and name HD21)) 2.300 0.700 0.700 peak 452 spectrum 1 weight 0.11000E+01 volume 0.33189E-02 ppm1 7.639 ppm2 6.856 CV 1 ASSI { 457} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.900 1.000 1.000 peak 457 spectrum 1 weight 0.11000E+01 volume 0.19579E-02 ppm1 8.982 ppm2 4.758 CV 1 ASSI { 458} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.300 0.700 0.700 peak 458 spectrum 1 weight 0.11000E+01 volume 0.73375E-02 ppm1 8.983 ppm2 4.569 CV 1 ASSI { 459} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.900 1.000 1.000 peak 459 spectrum 1 weight 0.11000E+01 volume 0.28896E-02 ppm1 8.984 ppm2 2.591 CV 1 OR { 459} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) ASSI { 461} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 3.000 1.100 1.100 peak 461 spectrum 1 weight 0.11000E+01 volume 0.34313E-02 ppm1 7.802 ppm2 4.846 CV 1 ASSI { 462} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA1 )) 3.000 1.100 1.100 peak 462 spectrum 1 weight 0.11000E+01 volume 0.24660E-02 ppm1 7.802 ppm2 4.278 CV 1 ASSI { 464} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB1 )) 2.600 0.900 0.900 peak 464 spectrum 1 weight 0.11000E+01 volume 0.37793E-02 ppm1 7.802 ppm2 2.880 CV 1 ASSI { 467} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 467 spectrum 1 weight 0.11000E+01 volume 0.23678E-02 ppm1 9.096 ppm2 4.659 CV 1 ASSI { 468} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) 2.900 1.100 1.100 peak 468 spectrum 1 weight 0.11000E+01 volume 0.27796E-02 ppm1 9.096 ppm2 4.257 CV 1 ASSI { 469} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.800 1.000 1.000 peak 469 spectrum 1 weight 0.11000E+01 volume 0.30362E-02 ppm1 9.096 ppm2 2.704 CV 1 ASSI { 470} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB1 )) 2.900 1.100 1.100 peak 470 spectrum 1 weight 0.11000E+01 volume 0.21584E-02 ppm1 9.097 ppm2 2.801 CV 1 ASSI { 472} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.800 1.000 1.000 peak 472 spectrum 1 weight 0.11000E+01 volume 0.25760E-02 ppm1 7.201 ppm2 4.611 CV 1 ASSI { 474} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.500 0.800 0.800 peak 474 spectrum 1 weight 0.11000E+01 volume 0.62250E-02 ppm1 7.200 ppm2 2.388 CV 1 ASSI { 475} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB1 )) 2.300 0.700 0.700 peak 475 spectrum 1 weight 0.11000E+01 volume 0.40966E-02 ppm1 7.202 ppm2 2.567 CV 1 ASSI { 477} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 2.400 0.700 0.700 peak 477 spectrum 1 weight 0.11000E+01 volume 0.77156E-02 ppm1 7.651 ppm2 4.370 CV 1 ASSI { 479} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 2.500 0.800 0.800 peak 479 spectrum 1 weight 0.11000E+01 volume 0.38209E-02 ppm1 7.650 ppm2 2.265 CV 1 ASSI { 480} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB1 )) 3.700 1.700 1.700 peak 480 spectrum 1 weight 0.11000E+01 volume 0.20186E-02 ppm1 7.649 ppm2 2.548 CV 1 ASSI { 482} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.600 0.800 0.800 peak 482 spectrum 1 weight 0.11000E+01 volume 0.31330E-02 ppm1 8.159 ppm2 4.460 CV 1 ASSI { 483} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA )) 2.000 0.500 0.500 peak 483 spectrum 1 weight 0.11000E+01 volume 0.10324E-01 ppm1 8.160 ppm2 5.340 CV 1 ASSI { 484} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 2.100 0.600 0.600 peak 484 spectrum 1 weight 0.11000E+01 volume 0.45622E-02 ppm1 8.160 ppm2 2.469 CV 1 ASSI { 485} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.11000E+01 volume 0.49360E-02 ppm1 8.160 ppm2 2.969 CV 1 ASSI { 486} (( segid " " and resid 149 and name HN )) (( segid " " and resid 151 and name HN )) 2.500 2.500 3.500 peak 486 spectrum 1 weight 0.11000E+01 volume 0.53009E-01 ppm1 8.505 ppm2 8.509 CV 1 ASSI { 487} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) 2.100 0.600 0.600 peak 487 spectrum 1 weight 0.11000E+01 volume 0.15686E-01 ppm1 8.505 ppm2 4.582 CV 1 ASSI { 488} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 2.800 1.000 1.000 peak 488 spectrum 1 weight 0.11000E+01 volume 0.27266E-02 ppm1 8.504 ppm2 4.820 CV 1 ASSI { 489} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) 2.600 0.800 0.800 peak 489 spectrum 1 weight 0.11000E+01 volume 0.74037E-02 ppm1 8.504 ppm2 2.498 CV 1 ASSI { 490} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB1 )) 2.900 1.000 1.000 peak 490 spectrum 1 weight 0.11000E+01 volume 0.37512E-02 ppm1 8.503 ppm2 2.720 CV 1 ASSI { 494} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG2 )) 2.100 0.500 0.500 peak 494 spectrum 1 weight 0.11000E+01 volume 0.50775E-02 ppm1 8.060 ppm2 2.180 CV 1 OR { 494} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) ASSI { 495} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 495 spectrum 1 weight 0.11000E+01 volume 0.23843E-02 ppm1 8.060 ppm2 1.613 CV 1 ASSI { 496} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG1 )) 3.900 1.900 1.900 peak 496 spectrum 1 weight 0.11000E+01 volume 0.29417E-02 ppm1 8.059 ppm2 2.472 CV 1 ASSI { 499} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 64 and name HE22)) 1.800 0.400 0.400 peak 499 spectrum 1 weight 0.11000E+01 volume 0.13264E-01 ppm1 6.331 ppm2 7.300 CV 1 ASSI { 501} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HG1 )) 4.100 2.100 1.900 peak 501 spectrum 1 weight 0.11000E+01 volume 0.10422E-02 ppm1 7.290 ppm2 2.459 CV 1 ASSI { 502} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 64 and name HG1 )) 3.700 1.700 1.700 peak 502 spectrum 1 weight 0.11000E+01 volume 0.12090E-02 ppm1 6.332 ppm2 2.471 CV 1 ASSI { 503} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 64 and name HG2 )) 3.100 1.200 1.200 peak 503 spectrum 1 weight 0.11000E+01 volume 0.16063E-02 ppm1 6.329 ppm2 2.157 CV 1 OR { 503} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 64 and name HB1 )) ASSI { 504} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HG2 )) 3.800 1.800 1.800 peak 504 spectrum 1 weight 0.11000E+01 volume 0.21293E-02 ppm1 7.294 ppm2 2.145 CV 1 OR { 504} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HB1 )) ASSI { 506} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.600 0.900 0.900 peak 506 spectrum 1 weight 0.11000E+01 volume 0.25788E-02 ppm1 9.067 ppm2 5.034 CV 1 ASSI { 507} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 1.900 0.500 0.500 peak 507 spectrum 1 weight 0.11000E+01 volume 0.62975E-02 ppm1 9.068 ppm2 5.372 CV 1 ASSI { 509} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.800 1.800 1.800 peak 509 spectrum 1 weight 0.11000E+01 volume 0.19267E-02 ppm1 9.065 ppm2 2.176 CV 1 OR { 509} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG2 )) ASSI { 510} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.100 1.200 1.200 peak 510 spectrum 1 weight 0.11000E+01 volume 0.18519E-02 ppm1 9.063 ppm2 2.080 CV 1 ASSI { 511} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 71 and name HE22)) 1.200 0.200 1.000 peak 511 spectrum 1 weight 0.11000E+01 volume 0.72658E-01 ppm1 7.478 ppm2 6.661 CV 1 ASSI { 515} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HB1 )) 3.900 1.900 1.900 peak 515 spectrum 1 weight 0.11000E+01 volume 0.23232E-02 ppm1 6.656 ppm2 2.192 CV 1 OR { 515} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HG2 )) ASSI { 516} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 71 and name HG1 )) 3.200 1.300 1.300 peak 516 spectrum 1 weight 0.11000E+01 volume 0.30959E-02 ppm1 6.660 ppm2 2.318 CV 1 ASSI { 517} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 71 and name HG2 )) 3.100 1.200 1.200 peak 517 spectrum 1 weight 0.11000E+01 volume 0.36582E-02 ppm1 7.478 ppm2 2.193 CV 1 OR { 517} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 71 and name HB1 )) ASSI { 518} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 71 and name HG1 )) 2.400 2.400 3.600 peak 518 spectrum 1 weight 0.11000E+01 volume 0.45039E-02 ppm1 7.478 ppm2 2.320 CV 1 ASSI { 520} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 3.000 1.100 1.100 peak 520 spectrum 1 weight 0.11000E+01 volume 0.19362E-02 ppm1 7.775 ppm2 4.673 CV 1 ASSI { 522} (( segid " " and resid 81 and name HE21)) (( segid " " and resid 81 and name HE22)) 1.300 0.200 0.900 peak 522 spectrum 1 weight 0.11000E+01 volume 0.60564E-01 ppm1 7.685 ppm2 6.706 CV 1 ASSI { 526} (( segid " " and resid 81 and name HE22)) (( segid " " and resid 81 and name HG2 )) 3.400 1.500 1.500 peak 526 spectrum 1 weight 0.11000E+01 volume 0.28174E-02 ppm1 6.701 ppm2 2.176 CV 1 ASSI { 527} (( segid " " and resid 81 and name HE22)) (( segid " " and resid 81 and name HG1 )) 3.600 1.600 1.600 peak 527 spectrum 1 weight 0.11000E+01 volume 0.28011E-02 ppm1 6.704 ppm2 2.379 CV 1 ASSI { 528} (( segid " " and resid 81 and name HE21)) (( segid " " and resid 81 and name HG2 )) 2.200 0.600 0.600 peak 528 spectrum 1 weight 0.11000E+01 volume 0.42808E-02 ppm1 7.685 ppm2 2.172 CV 1 ASSI { 529} (( segid " " and resid 81 and name HE21)) (( segid " " and resid 81 and name HG1 )) 2.600 0.900 0.900 peak 529 spectrum 1 weight 0.11000E+01 volume 0.54722E-02 ppm1 7.685 ppm2 2.382 CV 1 ASSI { 533} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 2.100 0.500 0.500 peak 533 spectrum 1 weight 0.11000E+01 volume 0.12998E-01 ppm1 9.050 ppm2 4.007 CV 1 ASSI { 534} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.400 0.700 0.700 peak 534 spectrum 1 weight 0.11000E+01 volume 0.51117E-02 ppm1 9.050 ppm2 2.250 CV 1 OR { 534} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 535} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HG2 )) 4.400 2.400 1.600 peak 535 spectrum 1 weight 0.11000E+01 volume 0.18797E-02 ppm1 9.048 ppm2 2.464 CV 1 ASSI { 536} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HG1 )) 3.900 1.900 1.900 peak 536 spectrum 1 weight 0.11000E+01 volume 0.32053E-02 ppm1 9.051 ppm2 2.638 CV 1 ASSI { 537} (( segid " " and resid 97 and name HE21)) (( segid " " and resid 97 and name HE22)) 1.300 0.200 0.900 peak 537 spectrum 1 weight 0.11000E+01 volume 0.73767E-01 ppm1 7.742 ppm2 6.779 CV 1 ASSI { 541} (( segid " " and resid 97 and name HE21)) (( segid " " and resid 97 and name HG2 )) 3.800 1.800 1.800 peak 541 spectrum 1 weight 0.11000E+01 volume 0.19763E-02 ppm1 7.744 ppm2 2.484 CV 1 ASSI { 542} (( segid " " and resid 97 and name HE21)) (( segid " " and resid 97 and name HG1 )) 2.700 0.900 0.900 peak 542 spectrum 1 weight 0.11000E+01 volume 0.15430E-02 ppm1 7.746 ppm2 2.636 CV 1 ASSI { 543} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HG2 )) 4.300 2.300 1.700 peak 543 spectrum 1 weight 0.11000E+01 volume 0.14897E-02 ppm1 6.776 ppm2 2.470 CV 1 ASSI { 544} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HG1 )) 4.200 2.200 1.800 peak 544 spectrum 1 weight 0.11000E+01 volume 0.10599E-02 ppm1 6.769 ppm2 2.637 CV 1 ASSI { 545} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 2.600 0.900 0.900 peak 545 spectrum 1 weight 0.11000E+01 volume 0.82981E-02 ppm1 8.271 ppm2 4.449 CV 1 ASSI { 547} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 3.000 1.100 1.100 peak 547 spectrum 1 weight 0.11000E+01 volume 0.24282E-02 ppm1 8.271 ppm2 4.565 CV 1 ASSI { 549} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 2.800 1.000 1.000 peak 549 spectrum 1 weight 0.11000E+01 volume 0.42631E-02 ppm1 8.076 ppm2 4.139 CV 1 ASSI { 550} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 3.100 3.100 2.900 peak 550 spectrum 1 weight 0.11000E+01 volume 0.19693E-02 ppm1 8.078 ppm2 3.926 CV 1 ASSI { 551} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB1 )) 3.100 1.200 1.200 peak 551 spectrum 1 weight 0.11000E+01 volume 0.60845E-02 ppm1 8.077 ppm2 2.252 CV 1 ASSI { 552} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB2 )) 2.800 1.000 1.000 peak 552 spectrum 1 weight 0.11000E+01 volume 0.44275E-02 ppm1 8.076 ppm2 2.115 CV 1 ASSI { 554} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HG2 )) 3.400 1.400 1.400 peak 554 spectrum 1 weight 0.11000E+01 volume 0.22389E-02 ppm1 8.075 ppm2 2.407 CV 1 ASSI { 557} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.500 3.500 2.500 peak 557 spectrum 1 weight 0.11000E+01 volume 0.12528E-02 ppm1 8.415 ppm2 1.933 CV 1 ASSI { 558} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) 4.100 2.100 1.900 peak 558 spectrum 1 weight 0.11000E+01 volume 0.83869E-03 ppm1 8.420 ppm2 2.041 CV 1 OR { 558} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG2 )) ASSI { 559} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG1 )) 5.000 3.100 1.000 peak 559 spectrum 1 weight 0.11000E+01 volume 0.26233E-03 ppm1 8.419 ppm2 2.239 CV 1 ASSI { 560} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.700 0.900 0.900 peak 560 spectrum 1 weight 0.11000E+01 volume 0.55091E-02 ppm1 8.399 ppm2 1.899 CV 1 OR { 560} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 561} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG1 )) 3.300 1.300 1.300 peak 561 spectrum 1 weight 0.11000E+01 volume 0.23878E-02 ppm1 8.401 ppm2 2.286 CV 1 OR { 561} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG2 )) ASSI { 563} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.300 1.400 1.400 peak 563 spectrum 1 weight 0.11000E+01 volume 0.15439E-02 ppm1 8.418 ppm2 4.204 CV 1 ASSI { 566} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.11000E+01 volume 0.24086E-02 ppm1 8.279 ppm2 1.954 CV 1 ASSI { 567} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 3.300 1.300 1.300 peak 567 spectrum 1 weight 0.11000E+01 volume 0.21867E-02 ppm1 8.274 ppm2 2.029 CV 1 ASSI { 568} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG2 )) 4.100 2.100 1.900 peak 568 spectrum 1 weight 0.11000E+01 volume 0.79548E-03 ppm1 8.279 ppm2 2.242 CV 1 OR { 568} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG1 )) ASSI { 570} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 36 and name HZ2 )) 3.200 1.200 1.200 peak 570 spectrum 1 weight 0.11000E+01 volume 0.22667E-02 ppm1 10.075 ppm2 7.434 CV 1 ASSI { 571} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 36 and name HZ3 )) 4.600 2.600 1.400 peak 571 spectrum 1 weight 0.11000E+01 volume 0.42973E-03 ppm1 10.075 ppm2 6.970 CV 1 ASSI { 572} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 36 and name HH2 )) 5.000 3.200 1.000 peak 572 spectrum 1 weight 0.11000E+01 volume 0.47459E-03 ppm1 10.074 ppm2 7.027 CV 1 ASSI { 573} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HZ2 )) 3.900 3.900 2.100 peak 573 spectrum 1 weight 0.11000E+01 volume 0.98627E-03 ppm1 8.271 ppm2 7.397 CV 1 ASSI { 574} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HZ3 )) 4.500 2.500 1.500 peak 574 spectrum 1 weight 0.11000E+01 volume 0.56904E-03 ppm1 8.270 ppm2 6.980 CV 1 OR { 574} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HH2 )) ASSI { 575} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 575 spectrum 1 weight 0.11000E+01 volume 0.26018E-02 ppm1 8.269 ppm2 2.853 CV 1 ASSI { 577} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 3.300 1.300 1.300 peak 577 spectrum 1 weight 0.11000E+01 volume 0.17867E-02 ppm1 7.592 ppm2 3.955 CV 1 ASSI { 578} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 2.900 1.100 1.100 peak 578 spectrum 1 weight 0.11000E+01 volume 0.25050E-02 ppm1 7.590 ppm2 4.698 CV 1 ASSI { 580} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.400 0.700 0.700 peak 580 spectrum 1 weight 0.11000E+01 volume 0.35191E-02 ppm1 7.592 ppm2 2.545 CV 1 ASSI { 581} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HD% ) 2.900 1.000 1.000 peak 581 spectrum 1 weight 0.11000E+01 volume 0.22037E-02 ppm1 7.589 ppm2 6.904 CV 1 ASSI { 586} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) 2.800 2.800 3.200 peak 586 spectrum 1 weight 0.11000E+01 volume 0.24363E-02 ppm1 9.379 ppm2 2.645 CV 1 ASSI { 590} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 3.000 1.100 1.100 peak 590 spectrum 1 weight 0.11000E+01 volume 0.19803E-02 ppm1 8.659 ppm2 4.393 CV 1 ASSI { 591} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.400 0.700 0.700 peak 591 spectrum 1 weight 0.11000E+01 volume 0.73529E-02 ppm1 8.660 ppm2 4.720 CV 1 ASSI { 592} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) 2.600 0.900 0.900 peak 592 spectrum 1 weight 0.11000E+01 volume 0.37479E-02 ppm1 8.660 ppm2 2.977 CV 1 ASSI { 593} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 3.100 1.200 1.200 peak 593 spectrum 1 weight 0.11000E+01 volume 0.41306E-02 ppm1 8.659 ppm2 2.841 CV 1 ASSI { 597} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.300 0.700 0.700 peak 597 spectrum 1 weight 0.11000E+01 volume 0.51941E-02 ppm1 8.728 ppm2 5.587 CV 1 ASSI { 601} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.100 0.500 0.500 peak 601 spectrum 1 weight 0.11000E+01 volume 0.11297E-01 ppm1 8.891 ppm2 5.350 CV 1 ASSI { 602} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 2.800 1.000 1.000 peak 602 spectrum 1 weight 0.11000E+01 volume 0.28981E-02 ppm1 8.892 ppm2 4.959 CV 1 ASSI { 603} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.300 1.300 1.300 peak 603 spectrum 1 weight 0.11000E+01 volume 0.18216E-02 ppm1 8.894 ppm2 3.123 CV 1 OR { 603} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) ASSI { 605} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HZ )) 4.300 2.300 1.700 peak 605 spectrum 1 weight 0.11000E+01 volume 0.64366E-03 ppm1 8.888 ppm2 6.845 CV 1 ASSI { 607} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 3.000 1.100 1.100 peak 607 spectrum 1 weight 0.11000E+01 volume 0.30912E-02 ppm1 8.102 ppm2 4.604 CV 1 ASSI { 608} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.800 1.800 1.800 peak 608 spectrum 1 weight 0.11000E+01 volume 0.10394E-02 ppm1 8.097 ppm2 3.045 CV 1 ASSI { 609} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.700 1.700 1.700 peak 609 spectrum 1 weight 0.11000E+01 volume 0.93997E-03 ppm1 8.099 ppm2 3.162 CV 1 ASSI { 612} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.200 0.600 0.600 peak 612 spectrum 1 weight 0.11000E+01 volume 0.85847E-02 ppm1 9.011 ppm2 5.923 CV 1 ASSI { 613} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.400 0.700 0.700 peak 613 spectrum 1 weight 0.11000E+01 volume 0.61270E-02 ppm1 9.009 ppm2 1.768 CV 1 OR { 613} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) ASSI { 614} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG1 )) 3.800 3.800 2.200 peak 614 spectrum 1 weight 0.11000E+01 volume 0.15669E-02 ppm1 9.008 ppm2 1.342 CV 1 OR { 614} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG2 )) ASSI { 615} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HD2 )) 5.200 3.400 0.800 peak 615 spectrum 1 weight 0.11000E+01 volume 0.65806E-03 ppm1 9.009 ppm2 1.460 CV 1 ASSI { 617} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 2.100 0.600 0.600 peak 617 spectrum 1 weight 0.11000E+01 volume 0.72252E-02 ppm1 9.520 ppm2 5.930 CV 1 ASSI { 620} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.500 0.800 0.800 peak 620 spectrum 1 weight 0.11000E+01 volume 0.38388E-02 ppm1 8.254 ppm2 3.594 CV 1 ASSI { 621} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.100 0.500 0.500 peak 621 spectrum 1 weight 0.11000E+01 volume 0.14310E-01 ppm1 8.254 ppm2 4.400 CV 1 ASSI { 622} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.300 0.700 0.700 peak 622 spectrum 1 weight 0.11000E+01 volume 0.67173E-02 ppm1 8.254 ppm2 1.698 CV 1 OR { 622} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HD2 )) ASSI { 623} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HD1 )) 3.400 1.500 1.500 peak 623 spectrum 1 weight 0.11000E+01 volume 0.40279E-02 ppm1 8.254 ppm2 1.759 CV 1 ASSI { 624} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG1 )) 2.900 1.000 1.000 peak 624 spectrum 1 weight 0.11000E+01 volume 0.15978E-02 ppm1 8.254 ppm2 1.513 CV 1 ASSI { 626} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HE1 )) 5.400 3.700 0.600 peak 626 spectrum 1 weight 0.11000E+01 volume 0.27791E-03 ppm1 8.253 ppm2 3.063 CV 1 OR { 626} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HE2 )) ASSI { 629} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 629 spectrum 1 weight 0.11000E+01 volume 0.42694E-02 ppm1 9.140 ppm2 1.250 CV 1 ASSI { 630} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB1 )) 2.400 0.700 0.700 peak 630 spectrum 1 weight 0.11000E+01 volume 0.48333E-02 ppm1 9.139 ppm2 1.635 CV 1 ASSI { 631} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HD2 )) 4.600 2.600 1.400 peak 631 spectrum 1 weight 0.11000E+01 volume 0.11466E-02 ppm1 9.137 ppm2 1.369 CV 1 OR { 631} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HD1 )) ASSI { 634} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HE2 )) 3.400 1.400 1.400 peak 634 spectrum 1 weight 0.11000E+01 volume 0.17688E-02 ppm1 9.142 ppm2 2.745 CV 1 OR { 634} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HE1 )) ASSI { 637} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 2.400 0.700 0.700 peak 637 spectrum 1 weight 0.11000E+01 volume 0.33253E-02 ppm1 8.959 ppm2 4.639 CV 1 ASSI { 638} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) 3.300 1.400 1.400 peak 638 spectrum 1 weight 0.11000E+01 volume 0.26419E-02 ppm1 8.958 ppm2 1.669 CV 1 OR { 638} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HD2 )) ASSI { 640} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) 3.000 1.100 1.100 peak 640 spectrum 1 weight 0.11000E+01 volume 0.18465E-02 ppm1 8.959 ppm2 1.564 CV 1 ASSI { 641} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG2 )) 2.600 0.800 0.800 peak 641 spectrum 1 weight 0.11000E+01 volume 0.14054E-02 ppm1 8.958 ppm2 1.410 CV 1 ASSI { 642} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HD2 )) 4.400 4.400 1.600 peak 642 spectrum 1 weight 0.11000E+01 volume 0.68096E-03 ppm1 8.958 ppm2 1.764 CV 1 ASSI { 644} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.900 1.000 1.000 peak 644 spectrum 1 weight 0.11000E+01 volume 0.19588E-02 ppm1 8.815 ppm2 5.920 CV 1 ASSI { 645} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 2.100 0.600 0.600 peak 645 spectrum 1 weight 0.11000E+01 volume 0.82364E-02 ppm1 8.816 ppm2 5.212 CV 1 ASSI { 646} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.700 0.900 0.900 peak 646 spectrum 1 weight 0.11000E+01 volume 0.26906E-02 ppm1 8.816 ppm2 1.761 CV 1 OR { 646} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 647} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG2 )) 3.300 1.400 1.400 peak 647 spectrum 1 weight 0.11000E+01 volume 0.21645E-02 ppm1 8.816 ppm2 1.323 CV 1 OR { 647} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG1 )) ASSI { 648} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HD2 )) 5.100 3.300 0.900 peak 648 spectrum 1 weight 0.11000E+01 volume 0.61296E-03 ppm1 8.820 ppm2 2.743 CV 1 OR { 648} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HD1 )) ASSI { 649} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HH21)) 5.700 4.000 0.300 peak 649 spectrum 1 weight 0.11000E+01 volume 0.19881E-03 ppm1 8.822 ppm2 7.052 CV 1 OR { 649} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HH22)) OR { 649} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HH11)) ASSI { 650} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HE )) 6.000 4.900 0.000 peak 650 spectrum 1 weight 0.11000E+01 volume 0.11404E-03 ppm1 8.819 ppm2 7.197 CV 1 ASSI { 652} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.700 0.900 0.900 peak 652 spectrum 1 weight 0.11000E+01 volume 0.35096E-02 ppm1 8.024 ppm2 5.192 CV 1 ASSI { 653} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 2.200 0.600 0.600 peak 653 spectrum 1 weight 0.11000E+01 volume 0.12042E-01 ppm1 8.022 ppm2 4.771 CV 1 ASSI { 654} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG2 )) 2.400 0.700 0.700 peak 654 spectrum 1 weight 0.11000E+01 volume 0.86284E-02 ppm1 8.022 ppm2 1.537 CV 1 OR { 654} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 655} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 655 spectrum 1 weight 0.11000E+01 volume 0.32311E-02 ppm1 8.020 ppm2 1.914 CV 1 ASSI { 656} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG1 )) 2.600 0.800 0.800 peak 656 spectrum 1 weight 0.11000E+01 volume 0.46605E-02 ppm1 8.022 ppm2 1.758 CV 1 ASSI { 660} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.900 1.000 1.000 peak 660 spectrum 1 weight 0.11000E+01 volume 0.17938E-02 ppm1 8.930 ppm2 4.485 CV 1 ASSI { 661} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.100 0.600 0.600 peak 661 spectrum 1 weight 0.11000E+01 volume 0.12895E-01 ppm1 8.931 ppm2 4.051 CV 1 ASSI { 662} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG1 )) 3.100 1.200 1.200 peak 662 spectrum 1 weight 0.11000E+01 volume 0.17232E-02 ppm1 8.929 ppm2 1.689 CV 1 OR { 662} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG2 )) ASSI { 663} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.400 0.700 0.700 peak 663 spectrum 1 weight 0.11000E+01 volume 0.70826E-02 ppm1 8.932 ppm2 1.875 CV 1 OR { 663} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) ASSI { 664} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HD2 )) 5.600 3.900 0.400 peak 664 spectrum 1 weight 0.11000E+01 volume 0.36338E-03 ppm1 8.930 ppm2 3.227 CV 1 OR { 664} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HD1 )) ASSI { 666} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.600 3.600 2.400 peak 666 spectrum 1 weight 0.11000E+01 volume 0.11792E-02 ppm1 8.192 ppm2 4.291 CV 1 ASSI { 667} (( segid " " and resid 51 and name HN )) ( segid " " and resid 111 and name HG2%) 4.400 2.400 1.600 peak 667 spectrum 1 weight 0.11000E+01 volume 0.15161E-02 ppm1 8.145 ppm2 1.175 CV 1 ASSI { 668} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) 2.600 0.800 0.800 peak 668 spectrum 1 weight 0.11000E+01 volume 0.27968E-02 ppm1 8.142 ppm2 1.442 CV 1 ASSI { 669} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG )) 3.500 1.600 1.600 peak 669 spectrum 1 weight 0.11000E+01 volume 0.31040E-02 ppm1 8.143 ppm2 1.546 CV 1 OR { 669} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB1 )) ASSI { 670} (( segid " " and resid 51 and name HN )) (( segid " " and resid 111 and name HB )) 2.900 1.100 1.100 peak 670 spectrum 1 weight 0.11000E+01 volume 0.38161E-02 ppm1 8.141 ppm2 3.768 CV 1 ASSI { 672} (( segid " " and resid 51 and name HN )) (( segid " " and resid 110 and name HA )) 4.800 2.900 1.200 peak 672 spectrum 1 weight 0.11000E+01 volume 0.55959E-03 ppm1 8.143 ppm2 4.622 CV 1 ASSI { 677} (( segid " " and resid 51 and name HN )) (( segid " " and resid 111 and name HN )) 2.800 1.000 1.000 peak 677 spectrum 1 weight 0.11000E+01 volume 0.27125E-02 ppm1 8.142 ppm2 8.992 CV 1 ASSI { 678} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 2.300 0.600 0.600 peak 678 spectrum 1 weight 0.11000E+01 volume 0.62507E-02 ppm1 8.141 ppm2 9.131 CV 1 ASSI { 681} (( segid " " and resid 61 and name HN )) ( segid " " and resid 147 and name HB% ) 4.700 4.700 1.300 peak 681 spectrum 1 weight 0.11000E+01 volume 0.72464E-03 ppm1 7.938 ppm2 1.119 CV 1 ASSI { 682} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 682 spectrum 1 weight 0.11000E+01 volume 0.39628E-02 ppm1 7.939 ppm2 1.618 CV 1 ASSI { 683} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HG2 )) 2.800 1.000 1.000 peak 683 spectrum 1 weight 0.11000E+01 volume 0.21463E-02 ppm1 7.939 ppm2 2.166 CV 1 ASSI { 686} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 2.200 2.200 3.800 peak 686 spectrum 1 weight 0.11000E+01 volume 0.84991E-02 ppm1 7.940 ppm2 4.628 CV 1 ASSI { 691} (( segid " " and resid 61 and name HN )) (( segid " " and resid 63 and name HN )) 6.000 5.000 0.000 peak 691 spectrum 1 weight 0.11000E+01 volume 0.25713E-03 ppm1 7.941 ppm2 8.749 CV 1 ASSI { 692} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.100 1.200 1.200 peak 692 spectrum 1 weight 0.11000E+01 volume 0.37791E-02 ppm1 8.823 ppm2 1.613 CV 1 ASSI { 693} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.300 1.300 1.300 peak 693 spectrum 1 weight 0.11000E+01 volume 0.25314E-02 ppm1 8.824 ppm2 2.175 CV 1 OR { 693} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG2 )) ASSI { 696} (( segid " " and resid 65 and name HN )) (( segid " " and resid 147 and name HA )) 4.300 2.400 1.700 peak 696 spectrum 1 weight 0.11000E+01 volume 0.74612E-03 ppm1 8.822 ppm2 5.010 CV 1 ASSI { 698} (( segid " " and resid 65 and name HN )) (( segid " " and resid 148 and name HN )) 2.800 1.000 1.000 peak 698 spectrum 1 weight 0.11000E+01 volume 0.31526E-02 ppm1 8.825 ppm2 8.728 CV 1 ASSI { 702} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HG2%) 3.000 1.100 1.100 peak 702 spectrum 1 weight 0.11000E+01 volume 0.30006E-02 ppm1 9.128 ppm2 0.468 CV 1 ASSI { 703} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HG1%) 4.100 2.100 1.900 peak 703 spectrum 1 weight 0.11000E+01 volume 0.21227E-02 ppm1 9.130 ppm2 0.853 CV 1 ASSI { 705} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB1 )) 4.800 2.900 1.200 peak 705 spectrum 1 weight 0.11000E+01 volume 0.45689E-03 ppm1 9.124 ppm2 2.183 CV 1 ASSI { 706} (( segid " " and resid 66 and name HN )) (( segid " " and resid 87 and name HA )) 4.400 2.400 1.600 peak 706 spectrum 1 weight 0.11000E+01 volume 0.46279E-03 ppm1 9.135 ppm2 5.343 CV 1 ASSI { 712} (( segid " " and resid 68 and name HN )) ( segid " " and resid 87 and name HG2%) 4.700 2.700 1.300 peak 712 spectrum 1 weight 0.11000E+01 volume 0.91472E-03 ppm1 9.584 ppm2 0.756 CV 1 ASSI { 713} (( segid " " and resid 68 and name HN )) (( segid " " and resid 86 and name HB2 )) 4.500 2.600 1.500 peak 713 spectrum 1 weight 0.11000E+01 volume 0.65593E-03 ppm1 9.577 ppm2 1.272 CV 1 ASSI { 714} (( segid " " and resid 68 and name HN )) (( segid " " and resid 86 and name HB1 )) 3.400 1.400 1.400 peak 714 spectrum 1 weight 0.11000E+01 volume 0.94850E-03 ppm1 9.577 ppm2 2.030 CV 1 ASSI { 718} (( segid " " and resid 68 and name HN )) (( segid " " and resid 86 and name HN )) 2.600 0.800 0.800 peak 718 spectrum 1 weight 0.11000E+01 volume 0.21366E-02 ppm1 9.579 ppm2 8.809 CV 1 ASSI { 721} (( segid " " and resid 80 and name HN )) ( segid " " and resid 72 and name HG2%) 4.100 2.100 1.900 peak 721 spectrum 1 weight 0.11000E+01 volume 0.50434E-03 ppm1 8.908 ppm2 1.171 CV 1 ASSI { 723} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.300 1.400 1.400 peak 723 spectrum 1 weight 0.11000E+01 volume 0.19508E-02 ppm1 8.905 ppm2 1.873 CV 1 OR { 723} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) ASSI { 724} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HD1 )) 2.400 2.400 3.600 peak 724 spectrum 1 weight 0.11000E+01 volume 0.53410E-03 ppm1 8.902 ppm2 3.231 CV 1 OR { 724} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HD2 )) ASSI { 727} (( segid " " and resid 80 and name HN )) (( segid " " and resid 74 and name HA )) 5.100 5.100 0.900 peak 727 spectrum 1 weight 0.11000E+01 volume 0.49088E-03 ppm1 8.906 ppm2 4.691 CV 1 ASSI { 729} (( segid " " and resid 80 and name HN )) (( segid " " and resid 73 and name HA )) 2.900 1.100 1.100 peak 729 spectrum 1 weight 0.11000E+01 volume 0.38482E-02 ppm1 8.903 ppm2 5.521 CV 1 ASSI { 730} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.200 0.600 0.600 peak 730 spectrum 1 weight 0.11000E+01 volume 0.59032E-02 ppm1 8.903 ppm2 7.781 CV 1 ASSI { 732} (( segid " " and resid 80 and name HN )) (( segid " " and resid 72 and name HN )) 4.100 2.100 1.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.62594E-03 ppm1 8.903 ppm2 9.147 CV 1 ASSI { 735} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB2 )) 4.600 2.700 1.400 peak 735 spectrum 1 weight 0.11000E+01 volume 0.93360E-03 ppm1 8.335 ppm2 1.270 CV 1 ASSI { 737} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB1 )) 3.800 1.800 1.800 peak 737 spectrum 1 weight 0.11000E+01 volume 0.13509E-02 ppm1 8.334 ppm2 2.016 CV 1 ASSI { 739} (( segid " " and resid 87 and name HN )) ( segid " " and resid 88 and name HD% ) 4.600 2.600 1.400 peak 739 spectrum 1 weight 0.11000E+01 volume 0.38652E-03 ppm1 8.333 ppm2 6.933 CV 1 ASSI { 747} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HB2 )) 4.000 4.000 2.000 peak 747 spectrum 1 weight 0.11000E+01 volume 0.10542E-02 ppm1 6.761 ppm2 3.139 CV 1 ASSI { 748} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HB1 )) 4.200 4.200 1.800 peak 748 spectrum 1 weight 0.11000E+01 volume 0.10351E-02 ppm1 6.764 ppm2 3.190 CV 1 ASSI { 751} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HN )) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.11000E+01 volume 0.59676E-02 ppm1 9.096 ppm2 6.766 CV 1 ASSI { 753} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HG2 )) 5.100 3.300 0.900 peak 753 spectrum 1 weight 0.11000E+01 volume 0.45122E-03 ppm1 7.934 ppm2 1.769 CV 1 ASSI { 754} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HD2 )) 2.400 0.700 0.700 peak 754 spectrum 1 weight 0.11000E+01 volume 0.20375E-02 ppm1 7.935 ppm2 3.105 CV 1 ASSI { 755} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HD1 )) 3.200 1.200 1.200 peak 755 spectrum 1 weight 0.11000E+01 volume 0.33427E-02 ppm1 7.935 ppm2 3.626 CV 1 ASSI { 763} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HN )) 2.300 0.600 0.600 peak 763 spectrum 1 weight 0.11000E+01 volume 0.68994E-02 ppm1 7.166 ppm2 7.944 CV 1 ASSI { 766} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB1 )) 2.600 0.900 0.900 peak 766 spectrum 1 weight 0.11000E+01 volume 0.21949E-02 ppm1 8.466 ppm2 2.548 CV 1 ASSI { 767} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HA2 )) 5.000 5.000 1.000 peak 767 spectrum 1 weight 0.11000E+01 volume 0.65098E-03 ppm1 8.467 ppm2 3.725 CV 1 ASSI { 771} (( segid " " and resid 58 and name HN )) (( segid " " and resid 108 and name HN )) 2.800 1.000 1.000 peak 771 spectrum 1 weight 0.11000E+01 volume 0.23187E-02 ppm1 8.205 ppm2 8.472 CV 1 ASSI { 773} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HG2%) 2.900 1.000 1.000 peak 773 spectrum 1 weight 0.11000E+01 volume 0.22694E-02 ppm1 9.712 ppm2 0.901 CV 1 OR { 773} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HG1%) ASSI { 777} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HA )) 4.200 4.200 1.800 peak 777 spectrum 1 weight 0.11000E+01 volume 0.45783E-03 ppm1 9.703 ppm2 5.066 CV 1 ASSI { 784} (( segid " " and resid 140 and name HN )) (( segid " " and resid 114 and name HN )) 3.000 1.100 1.100 peak 784 spectrum 1 weight 0.11000E+01 volume 0.20479E-02 ppm1 9.910 ppm2 9.717 CV 1 ASSI { 788} (( segid " " and resid 142 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.900 3.900 2.100 peak 788 spectrum 1 weight 0.11000E+01 volume 0.83255E-03 ppm1 9.359 ppm2 1.181 CV 1 ASSI { 789} (( segid " " and resid 142 and name HN )) (( segid " " and resid 112 and name HB1 )) 4.800 4.800 1.200 peak 789 spectrum 1 weight 0.11000E+01 volume 0.34756E-03 ppm1 9.365 ppm2 1.524 CV 1 ASSI { 797} (( segid " " and resid 148 and name HN )) ( segid " " and resid 66 and name HG1%) 3.600 1.600 1.600 peak 797 spectrum 1 weight 0.11000E+01 volume 0.11421E-02 ppm1 8.708 ppm2 0.672 CV 1 ASSI { 798} (( segid " " and resid 148 and name HN )) ( segid " " and resid 147 and name HB% ) 3.100 1.200 1.200 peak 798 spectrum 1 weight 0.11000E+01 volume 0.34530E-02 ppm1 8.706 ppm2 1.115 CV 1 ASSI { 800} (( segid " " and resid 148 and name HN )) (( segid " " and resid 65 and name HB )) 2.000 2.000 4.000 peak 800 spectrum 1 weight 0.11000E+01 volume 0.16132E-02 ppm1 8.705 ppm2 1.722 CV 1 ASSI { 801} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HB )) 2.600 2.600 3.400 peak 801 spectrum 1 weight 0.10000E+01 volume 0.30247E-03 ppm1 8.702 ppm2 4.057 CV 1 ASSI { 815} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 2.700 0.900 0.900 peak 815 spectrum 1 weight 0.11000E+01 volume 0.77791E-02 ppm1 9.581 ppm2 4.678 CV 1 ASSI { 820} (( segid " " and resid 47 and name HN )) (( segid " " and resid 37 and name HN )) 2.900 1.000 1.000 peak 820 spectrum 1 weight 0.11000E+01 volume 0.29647E-02 ppm1 9.010 ppm2 9.583 CV 1 ASSI { 826} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 826 spectrum 1 weight 0.11000E+01 volume 0.44990E-02 ppm1 8.636 ppm2 7.565 CV 1 ASSI { 832} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HG2 )) 4.500 2.500 1.500 peak 832 spectrum 1 weight 0.11000E+01 volume 0.56172E-03 ppm1 7.651 ppm2 1.335 CV 1 ASSI { 834} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB1 )) 6.000 4.500 0.000 peak 834 spectrum 1 weight 0.11000E+01 volume 0.32490E-03 ppm1 7.650 ppm2 3.311 CV 1 ASSI { 835} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA2 )) 3.100 1.200 1.200 peak 835 spectrum 1 weight 0.11000E+01 volume 0.14287E-02 ppm1 7.654 ppm2 3.470 CV 1 ASSI { 840} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 1.800 0.400 0.400 peak 840 spectrum 1 weight 0.11000E+01 volume 0.53807E-02 ppm1 7.652 ppm2 8.360 CV 1 ASSI { 841} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.300 0.700 0.700 peak 841 spectrum 1 weight 0.11000E+01 volume 0.29467E-02 ppm1 7.652 ppm2 9.883 CV 1 ASSI { 842} (( segid " " and resid 44 and name HN )) (( segid " " and resid 117 and name HN )) 4.900 3.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.49183E-03 ppm1 7.657 ppm2 8.152 CV 1 ASSI { 848} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 4.700 2.700 1.300 peak 848 spectrum 1 weight 0.11000E+01 volume 0.12859E-02 ppm1 7.066 ppm2 7.664 CV 1 ASSI { 849} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) 4.400 2.400 1.600 peak 849 spectrum 1 weight 0.11000E+01 volume 0.86348E-03 ppm1 8.353 ppm2 1.947 CV 1 ASSI { 851} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 3.500 1.600 1.600 peak 851 spectrum 1 weight 0.11000E+01 volume 0.11440E-02 ppm1 8.350 ppm2 4.361 CV 1 ASSI { 852} (( segid " " and resid 45 and name HN )) (( segid " " and resid 38 and name HA )) 3.700 1.700 1.700 peak 852 spectrum 1 weight 0.11000E+01 volume 0.82145E-03 ppm1 8.350 ppm2 4.744 CV 1 ASSI { 853} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) 3.900 1.900 1.900 peak 853 spectrum 1 weight 0.11000E+01 volume 0.52843E-03 ppm1 8.356 ppm2 5.932 CV 1 ASSI { 854} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA2 )) 4.700 2.800 1.300 peak 854 spectrum 1 weight 0.11000E+01 volume 0.44107E-03 ppm1 8.355 ppm2 3.458 CV 1 ASSI { 858} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB )) 3.700 1.700 1.700 peak 858 spectrum 1 weight 0.11000E+01 volume 0.10991E-02 ppm1 9.126 ppm2 3.812 CV 1 ASSI { 859} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 2.300 0.700 0.700 peak 859 spectrum 1 weight 0.11000E+01 volume 0.42407E-02 ppm1 9.128 ppm2 3.954 CV 1 ASSI { 860} (( segid " " and resid 50 and name HN )) (( segid " " and resid 112 and name HA )) 2.300 0.700 0.700 peak 860 spectrum 1 weight 0.11000E+01 volume 0.33087E-02 ppm1 9.127 ppm2 5.169 CV 1 ASSI { 864} (( segid " " and resid 70 and name HN )) (( segid " " and resid 83 and name HB1 )) 3.400 1.400 1.400 peak 864 spectrum 1 weight 0.11000E+01 volume 0.67294E-03 ppm1 8.999 ppm2 2.073 CV 1 ASSI { 866} (( segid " " and resid 70 and name HN )) (( segid " " and resid 83 and name HA )) 4.400 2.400 1.600 peak 866 spectrum 1 weight 0.11000E+01 volume 0.58108E-03 ppm1 9.001 ppm2 5.025 CV 1 ASSI { 870} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HG2 )) 5.100 3.300 0.900 peak 870 spectrum 1 weight 0.11000E+01 volume 0.62830E-03 ppm1 9.005 ppm2 2.188 CV 1 ASSI { 871} (( segid " " and resid 74 and name HN )) (( segid " " and resid 139 and name HB2 )) 4.600 2.600 1.400 peak 871 spectrum 1 weight 0.11000E+01 volume 0.51048E-03 ppm1 8.640 ppm2 2.663 CV 1 ASSI { 872} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.600 0.900 0.900 peak 872 spectrum 1 weight 0.11000E+01 volume 0.53358E-02 ppm1 8.639 ppm2 3.718 CV 1 OR { 872} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 873} (( segid " " and resid 74 and name HN )) (( segid " " and resid 78 and name HB )) 3.600 1.600 1.600 peak 873 spectrum 1 weight 0.11000E+01 volume 0.15832E-02 ppm1 8.639 ppm2 4.051 CV 1 OR { 873} (( segid " " and resid 74 and name HN )) (( segid " " and resid 78 and name HA )) ASSI { 874} (( segid " " and resid 74 and name HN )) (( segid " " and resid 79 and name HA )) 3.800 1.800 1.800 peak 874 spectrum 1 weight 0.11000E+01 volume 0.11822E-02 ppm1 8.641 ppm2 4.478 CV 1 ASSI { 875} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 2.100 0.500 0.500 peak 875 spectrum 1 weight 0.11000E+01 volume 0.71756E-02 ppm1 8.640 ppm2 5.522 CV 1 ASSI { 884} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 2.000 0.500 0.500 peak 884 spectrum 1 weight 0.11000E+01 volume 0.87866E-02 ppm1 8.805 ppm2 4.391 CV 1 ASSI { 889} (( segid " " and resid 90 and name HN )) ( segid " " and resid 89 and name HG2%) 3.200 1.300 1.300 peak 889 spectrum 1 weight 0.11000E+01 volume 0.30570E-02 ppm1 8.964 ppm2 0.972 CV 1 ASSI { 891} (( segid " " and resid 90 and name HN )) (( segid " " and resid 65 and name HA )) 2.900 1.000 1.000 peak 891 spectrum 1 weight 0.11000E+01 volume 0.21005E-02 ppm1 8.965 ppm2 4.263 CV 1 ASSI { 892} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 2.300 0.600 0.600 peak 892 spectrum 1 weight 0.11000E+01 volume 0.72573E-02 ppm1 8.965 ppm2 4.576 CV 1 ASSI { 900} (( segid " " and resid 99 and name HN )) ( segid " " and resid 98 and name HB% ) 2.600 0.900 0.900 peak 900 spectrum 1 weight 0.11000E+01 volume 0.33977E-02 ppm1 7.253 ppm2 1.132 CV 1 ASSI { 903} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HA )) 4.100 2.100 1.900 peak 903 spectrum 1 weight 0.11000E+01 volume 0.65404E-03 ppm1 7.248 ppm2 4.013 CV 1 ASSI { 908} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HN )) 3.000 1.100 1.100 peak 908 spectrum 1 weight 0.11000E+01 volume 0.20091E-02 ppm1 8.966 ppm2 7.256 CV 1 ASSI { 909} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HN )) 3.000 1.100 1.100 peak 909 spectrum 1 weight 0.11000E+01 volume 0.33595E-02 ppm1 8.225 ppm2 7.248 CV 1 ASSI { 912} (( segid " " and resid 101 and name HN )) ( segid " " and resid 39 and name HD1%) 3.800 1.800 1.800 peak 912 spectrum 1 weight 0.11000E+01 volume 0.21454E-02 ppm1 8.225 ppm2 0.817 CV 1 OR { 912} (( segid " " and resid 101 and name HN )) ( segid " " and resid 39 and name HG2%) ASSI { 913} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HG )) 2.500 0.800 0.800 peak 913 spectrum 1 weight 0.11000E+01 volume 0.41552E-02 ppm1 8.224 ppm2 1.791 CV 1 ASSI { 915} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB1 )) 2.700 0.900 0.900 peak 915 spectrum 1 weight 0.11000E+01 volume 0.20532E-02 ppm1 8.222 ppm2 2.569 CV 1 ASSI { 916} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HB1 )) 5.300 3.600 0.700 peak 916 spectrum 1 weight 0.11000E+01 volume 0.35867E-03 ppm1 8.222 ppm2 3.582 CV 1 OR { 916} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HB2 )) ASSI { 917} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) 3.700 1.700 1.700 peak 917 spectrum 1 weight 0.11000E+01 volume 0.58321E-03 ppm1 8.226 ppm2 3.829 CV 1 ASSI { 921} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 2.400 0.700 0.700 peak 921 spectrum 1 weight 0.11000E+01 volume 0.50675E-02 ppm1 7.167 ppm2 8.225 CV 1 ASSI { 922} (( segid " " and resid 105 and name HN )) ( segid " " and resid 39 and name HD1%) 4.600 2.600 1.400 peak 922 spectrum 1 weight 0.11000E+01 volume 0.85805E-03 ppm1 7.382 ppm2 0.749 CV 1 ASSI { 924} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB1 )) 4.200 2.200 1.800 peak 924 spectrum 1 weight 0.11000E+01 volume 0.88969E-03 ppm1 7.381 ppm2 2.447 CV 1 ASSI { 933} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HN )) 2.300 0.600 0.600 peak 933 spectrum 1 weight 0.11000E+01 volume 0.77435E-02 ppm1 7.863 ppm2 7.385 CV 1 ASSI { 934} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.600 0.600 peak 934 spectrum 1 weight 0.11000E+01 volume 0.59095E-02 ppm1 8.257 ppm2 4.632 CV 1 ASSI { 937} (( segid " " and resid 138 and name HN )) (( segid " " and resid 118 and name HB2 )) 4.300 2.300 1.700 peak 937 spectrum 1 weight 0.10000E+01 volume 0.34166E-03 ppm1 8.256 ppm2 3.537 CV 1 ASSI { 943} (( segid " " and resid 140 and name HN )) ( segid " " and resid 138 and name HD2%) 4.100 4.100 1.900 peak 943 spectrum 1 weight 0.11000E+01 volume 0.11627E-02 ppm1 9.911 ppm2 0.833 CV 1 ASSI { 944} (( segid " " and resid 140 and name HN )) ( segid " " and resid 138 and name HD1%) 2.100 2.100 3.900 peak 944 spectrum 1 weight 0.11000E+01 volume 0.96902E-03 ppm1 9.910 ppm2 1.139 CV 1 ASSI { 945} (( segid " " and resid 140 and name HN )) (( segid " " and resid 138 and name HB2 )) 5.000 3.200 1.000 peak 945 spectrum 1 weight 0.11000E+01 volume 0.46822E-03 ppm1 9.913 ppm2 1.417 CV 1 ASSI { 946} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HB2 )) 3.900 3.900 2.100 peak 946 spectrum 1 weight 0.11000E+01 volume 0.15168E-02 ppm1 9.909 ppm2 2.025 CV 1 ASSI { 950} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA )) 2.100 0.600 0.600 peak 950 spectrum 1 weight 0.11000E+01 volume 0.99779E-02 ppm1 9.910 ppm2 5.077 CV 1 ASSI { 959} (( segid " " and resid 150 and name HN )) (( segid " " and resid 64 and name HG2 )) 2.100 2.100 3.900 peak 959 spectrum 1 weight 0.11000E+01 volume 0.96171E-03 ppm1 8.696 ppm2 2.122 CV 1 ASSI { 960} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.600 1.600 1.600 peak 960 spectrum 1 weight 0.11000E+01 volume 0.24620E-02 ppm1 8.702 ppm2 2.492 CV 1 ASSI { 961} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB1 )) 3.300 1.400 1.400 peak 961 spectrum 1 weight 0.11000E+01 volume 0.40152E-02 ppm1 8.700 ppm2 2.717 CV 1 ASSI { 963} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HA )) 2.200 2.200 3.800 peak 963 spectrum 1 weight 0.11000E+01 volume 0.77447E-03 ppm1 8.700 ppm2 4.589 CV 1 ASSI { 964} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) 1.900 0.500 0.500 peak 964 spectrum 1 weight 0.11000E+01 volume 0.11865E-01 ppm1 8.704 ppm2 4.823 CV 1 ASSI { 966} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HN )) 2.400 0.700 0.700 peak 966 spectrum 1 weight 0.11000E+01 volume 0.33595E-02 ppm1 8.702 ppm2 8.520 CV 1 ASSI { 968} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 2.300 0.700 0.700 peak 968 spectrum 1 weight 0.11000E+01 volume 0.38901E-02 ppm1 8.059 ppm2 8.739 CV 1 ASSI { 974} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 3.400 1.500 1.500 peak 974 spectrum 1 weight 0.11000E+01 volume 0.23359E-02 ppm1 9.521 ppm2 9.109 CV 1 ASSI { 976} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HG1%) 4.100 2.100 1.900 peak 976 spectrum 1 weight 0.11000E+01 volume 0.18802E-02 ppm1 7.827 ppm2 0.670 CV 1 ASSI { 978} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB )) 2.700 0.900 0.900 peak 978 spectrum 1 weight 0.11000E+01 volume 0.39911E-02 ppm1 7.827 ppm2 1.679 CV 1 ASSI { 979} (( segid " " and resid 67 and name HN )) (( segid " " and resid 144 and name HA )) 4.500 2.500 1.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.48026E-03 ppm1 7.829 ppm2 4.633 CV 1 ASSI { 980} (( segid " " and resid 67 and name HN )) (( segid " " and resid 146 and name HN )) 2.700 0.900 0.900 peak 980 spectrum 1 weight 0.11000E+01 volume 0.35047E-02 ppm1 7.827 ppm2 7.368 CV 1 ASSI { 986} (( segid " " and resid 72 and name HN )) (( segid " " and resid 81 and name HN )) 3.100 1.200 1.200 peak 986 spectrum 1 weight 0.11000E+01 volume 0.20543E-02 ppm1 9.113 ppm2 7.782 CV 1 ASSI { 987} (( segid " " and resid 72 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.800 1.800 1.800 peak 987 spectrum 1 weight 0.11000E+01 volume 0.17542E-02 ppm1 9.112 ppm2 1.985 CV 1 ASSI { 988} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.600 1.600 1.600 peak 988 spectrum 1 weight 0.11000E+01 volume 0.19349E-02 ppm1 9.114 ppm2 2.083 CV 1 OR { 988} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) ASSI { 989} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG2 )) 4.300 2.300 1.700 peak 989 spectrum 1 weight 0.11000E+01 volume 0.27571E-02 ppm1 9.115 ppm2 2.173 CV 1 ASSI { 990} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HD1%) 4.700 2.800 1.300 peak 990 spectrum 1 weight 0.11000E+01 volume 0.60092E-03 ppm1 9.114 ppm2 0.937 CV 1 ASSI { 991} (( segid " " and resid 72 and name HN )) ( segid " " and resid 80 and name HG2%) 4.800 2.800 1.200 peak 991 spectrum 1 weight 0.11000E+01 volume 0.65782E-03 ppm1 9.118 ppm2 0.811 CV 1 ASSI { 994} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HG1%) 4.200 2.200 1.800 peak 994 spectrum 1 weight 0.11000E+01 volume 0.14474E-02 ppm1 7.770 ppm2 0.965 CV 1 ASSI { 995} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HG )) 4.200 2.200 1.800 peak 995 spectrum 1 weight 0.11000E+01 volume 0.11329E-02 ppm1 7.772 ppm2 1.702 CV 1 ASSI { 996} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.000 2.000 4.000 peak 996 spectrum 1 weight 0.11000E+01 volume 0.50092E-02 ppm1 7.774 ppm2 1.967 CV 1 ASSI { 997} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA1 )) 3.100 1.200 1.200 peak 997 spectrum 1 weight 0.11000E+01 volume 0.34662E-02 ppm1 7.775 ppm2 4.386 CV 1 ASSI { 998} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HA )) 4.200 2.200 1.800 peak 998 spectrum 1 weight 0.11000E+01 volume 0.15442E-02 ppm1 7.777 ppm2 4.483 CV 1 ASSI { 1000} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HA )) 3.800 1.800 1.800 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.83704E-03 ppm1 7.775 ppm2 5.027 CV 1 ASSI { 1001} (( segid " " and resid 78 and name HN )) (( segid " " and resid 73 and name HA )) 4.400 2.500 1.600 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.69726E-03 ppm1 7.774 ppm2 5.522 CV 1 ASSI { 1002} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 2.200 0.600 0.600 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.57827E-02 ppm1 7.769 ppm2 8.203 CV 1 ASSI { 1004} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HA )) 3.500 1.500 1.500 peak 1004 spectrum 1 weight 0.11000E+01 volume 0.17912E-02 ppm1 7.776 ppm2 4.488 CV 1 ASSI { 1006} (( segid " " and resid 89 and name HN )) ( segid " " and resid 88 and name HD% ) 3.500 1.500 1.500 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.17980E-02 ppm1 9.141 ppm2 6.941 CV 1 ASSI { 1009} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.600 0.900 0.900 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.69359E-02 ppm1 9.140 ppm2 3.121 CV 1 OR { 1009} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB1 )) ASSI { 1013} (( segid " " and resid 111 and name HN )) ( segid " " and resid 143 and name HG2%) 3.500 3.500 2.500 peak 1013 spectrum 1 weight 0.11000E+01 volume 0.20871E-02 ppm1 8.981 ppm2 1.043 CV 1 ASSI { 1014} (( segid " " and resid 111 and name HN )) ( segid " " and resid 51 and name HG2%) 4.300 2.300 1.700 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.11690E-02 ppm1 8.980 ppm2 0.895 CV 1 ASSI { 1015} (( segid " " and resid 111 and name HN )) ( segid " " and resid 50 and name HD2%) 5.600 5.600 0.400 peak 1015 spectrum 1 weight 0.11000E+01 volume 0.47932E-03 ppm1 8.980 ppm2 0.782 CV 1 ASSI { 1016} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.700 2.700 3.300 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.36074E-02 ppm1 8.980 ppm2 2.046 CV 1 ASSI { 1019} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG2 )) 3.100 1.200 1.200 peak 1019 spectrum 1 weight 0.11000E+01 volume 0.17633E-02 ppm1 8.981 ppm2 2.705 CV 1 OR { 1019} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG1 )) ASSI { 1020} (( segid " " and resid 111 and name HN )) (( segid " " and resid 49 and name HA )) 4.600 2.600 1.400 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.32608E-03 ppm1 8.976 ppm2 3.981 CV 1 ASSI { 1021} (( segid " " and resid 111 and name HN )) (( segid " " and resid 51 and name HA )) 4.200 2.200 1.800 peak 1021 spectrum 1 weight 0.11000E+01 volume 0.81200E-03 ppm1 8.981 ppm2 4.498 CV 1 ASSI { 1030} (( segid " " and resid 115 and name HN )) ( segid " " and resid 114 and name HG1%) 2.800 2.800 3.200 peak 1030 spectrum 1 weight 0.11000E+01 volume 0.34978E-02 ppm1 9.294 ppm2 0.859 CV 1 ASSI { 1031} (( segid " " and resid 115 and name HN )) (( segid " " and resid 46 and name HG1 )) 2.400 2.400 3.600 peak 1031 spectrum 1 weight 0.11000E+01 volume 0.52182E-03 ppm1 9.299 ppm2 1.352 CV 1 ASSI { 1035} (( segid " " and resid 115 and name HN )) (( segid " " and resid 46 and name HH21)) 3.600 1.700 1.700 peak 1035 spectrum 1 weight 0.11000E+01 volume 0.13431E-02 ppm1 9.295 ppm2 7.002 CV 1 OR { 1035} (( segid " " and resid 115 and name HN )) (( segid " " and resid 46 and name HH22)) ASSI { 1040} (( segid " " and resid 115 and name HN )) (( segid " " and resid 47 and name HN )) 2.400 2.400 3.600 peak 1040 spectrum 1 weight 0.11000E+01 volume 0.50269E-03 ppm1 9.293 ppm2 9.014 CV 1 ASSI { 1046} (( segid " " and resid 143 and name HN )) ( segid " " and resid 142 and name HG2%) 3.400 3.400 2.600 peak 1046 spectrum 1 weight 0.11000E+01 volume 0.34345E-02 ppm1 9.169 ppm2 0.838 CV 1 ASSI { 1047} (( segid " " and resid 143 and name HN )) ( segid " " and resid 142 and name HG1%) 3.900 1.900 1.900 peak 1047 spectrum 1 weight 0.11000E+01 volume 0.19683E-02 ppm1 9.169 ppm2 0.936 CV 1 ASSI { 1049} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HB )) 3.500 1.500 1.500 peak 1049 spectrum 1 weight 0.11000E+01 volume 0.11044E-02 ppm1 9.172 ppm2 1.936 CV 1 ASSI { 1054} (( segid " " and resid 143 and name HN )) (( segid " " and resid 69 and name HA )) 3.900 1.900 1.900 peak 1054 spectrum 1 weight 0.11000E+01 volume 0.12732E-02 ppm1 9.169 ppm2 5.371 CV 1 ASSI { 1057} (( segid " " and resid 143 and name HN )) (( segid " " and resid 69 and name HN )) 2.500 0.800 0.800 peak 1057 spectrum 1 weight 0.11000E+01 volume 0.32044E-02 ppm1 9.168 ppm2 8.735 CV 1 ASSI { 1060} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HN )) 2.300 0.600 0.600 peak 1060 spectrum 1 weight 0.11000E+01 volume 0.53120E-02 ppm1 7.361 ppm2 8.963 CV 1 ASSI { 1063} (( segid " " and resid 146 and name HN )) (( segid " " and resid 67 and name HA )) 4.500 4.500 1.500 peak 1063 spectrum 1 weight 0.11000E+01 volume 0.41675E-03 ppm1 7.361 ppm2 5.283 CV 1 ASSI { 1065} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.800 1.800 1.800 peak 1065 spectrum 1 weight 0.11000E+01 volume 0.22417E-02 ppm1 7.362 ppm2 1.863 CV 1 ASSI { 1066} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB2 )) 2.900 1.000 1.000 peak 1066 spectrum 1 weight 0.11000E+01 volume 0.40697E-02 ppm1 7.361 ppm2 1.671 CV 1 ASSI { 1068} (( segid " " and resid 146 and name HN )) ( segid " " and resid 144 and name HD1%) 2.700 2.700 3.300 peak 1068 spectrum 1 weight 0.11000E+01 volume 0.32438E-02 ppm1 7.362 ppm2 0.873 CV 1 ASSI { 1069} (( segid " " and resid 146 and name HN )) ( segid " " and resid 66 and name HG2%) 2.400 2.400 3.600 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.47153E-03 ppm1 7.358 ppm2 0.046 CV 1 ASSI { 1072} (( segid " " and resid 116 and name HN )) ( segid " " and resid 140 and name HD2%) 4.400 2.400 1.600 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.28617E-03 ppm1 8.636 ppm2 0.696 CV 1 ASSI { 1079} (( segid " " and resid 112 and name HN )) ( segid " " and resid 143 and name HG2%) 5.200 5.200 0.800 peak 1079 spectrum 1 weight 0.11000E+01 volume 0.56644E-03 ppm1 9.969 ppm2 1.036 CV 1 ASSI { 1080} (( segid " " and resid 112 and name HN )) ( segid " " and resid 111 and name HG2%) 3.500 1.500 1.500 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.22556E-02 ppm1 9.968 ppm2 1.178 CV 1 ASSI { 1082} (( segid " " and resid 112 and name HN )) (( segid " " and resid 50 and name HB2 )) 4.500 2.600 1.500 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.58273E-03 ppm1 9.965 ppm2 1.425 CV 1 ASSI { 1083} (( segid " " and resid 112 and name HN )) ( segid " " and resid 106 and name HE% ) 3.000 1.200 1.200 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.24594E-02 ppm1 9.967 ppm2 1.954 CV 1 ASSI { 1085} (( segid " " and resid 112 and name HN )) (( segid " " and resid 51 and name HN )) 5.000 3.100 1.000 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.26374E-03 ppm1 9.968 ppm2 8.148 CV 1 ASSI { 1090} (( segid " " and resid 98 and name HN )) ( segid " " and resid 96 and name HD1%) 3.900 1.900 1.900 peak 1090 spectrum 1 weight 0.11000E+01 volume 0.15933E-02 ppm1 8.965 ppm2 0.746 CV 1 ASSI { 1093} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB1 )) 3.000 1.100 1.100 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.24338E-02 ppm1 8.965 ppm2 2.256 CV 1 OR { 1093} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) ASSI { 1100} (( segid " " and resid 98 and name HN )) (( segid " " and resid 101 and name HN )) 4.500 2.500 1.500 peak 1100 spectrum 1 weight 0.11000E+01 volume 0.34544E-03 ppm1 8.959 ppm2 8.221 CV 1 ASSI { 1102} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG1 )) 2.000 2.000 4.000 peak 1102 spectrum 1 weight 0.11000E+01 volume 0.12346E-02 ppm1 8.385 ppm2 1.901 CV 1 ASSI { 1103} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 4.400 2.400 1.600 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.11081E-02 ppm1 8.383 ppm2 2.272 CV 1 ASSI { 1110} (( segid " " and resid 136 and name HN )) ( segid " " and resid 132 and name HG2%) 4.300 2.300 1.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.68309E-03 ppm1 7.406 ppm2 0.909 CV 1 ASSI { 1111} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.000 4.000 2.000 peak 1111 spectrum 1 weight 0.11000E+01 volume 0.75133E-03 ppm1 7.404 ppm2 3.285 CV 1 OR { 1111} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB1 )) ASSI { 1112} (( segid " " and resid 136 and name HN )) (( segid " " and resid 118 and name HB1 )) 2.700 2.700 3.300 peak 1112 spectrum 1 weight 0.11000E+01 volume 0.16821E-02 ppm1 7.407 ppm2 3.578 CV 1 OR { 1112} (( segid " " and resid 136 and name HN )) (( segid " " and resid 118 and name HB2 )) ASSI { 1114} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HN )) 3.000 1.100 1.100 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.24457E-02 ppm1 7.405 ppm2 7.663 CV 1 ASSI { 1119} (( segid " " and resid 137 and name HN )) ( segid " " and resid 136 and name HB% ) 3.400 1.400 1.400 peak 1119 spectrum 1 weight 0.11000E+01 volume 0.26677E-02 ppm1 8.405 ppm2 1.250 CV 1 ASSI { 1123} (( segid " " and resid 147 and name HN )) ( segid " " and resid 148 and name HG1%) 3.100 1.200 1.200 peak 1123 spectrum 1 weight 0.11000E+01 volume 0.35196E-02 ppm1 8.283 ppm2 0.837 CV 1 OR { 1123} (( segid " " and resid 147 and name HN )) ( segid " " and resid 148 and name HG2%) ASSI { 1124} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB )) 3.000 1.100 1.100 peak 1124 spectrum 1 weight 0.11000E+01 volume 0.60878E-02 ppm1 8.282 ppm2 4.051 CV 1 ASSI { 1128} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HD1 )) 2.200 2.200 3.800 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.78721E-03 ppm1 8.386 ppm2 3.792 CV 1 ASSI { 1129} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HD2 )) 2.200 2.200 3.800 peak 1129 spectrum 1 weight 0.11000E+01 volume 0.73314E-03 ppm1 8.388 ppm2 3.668 CV 1 ASSI { 1130} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.800 1.800 1.800 peak 1130 spectrum 1 weight 0.11000E+01 volume 0.11409E-02 ppm1 8.388 ppm2 2.023 CV 1 ASSI { 1132} (( segid " " and resid 32 and name HN )) ( segid " " and resid 30 and name HB% ) 2.100 2.100 3.900 peak 1132 spectrum 1 weight 0.11000E+01 volume 0.95581E-03 ppm1 8.387 ppm2 1.475 CV 1 ASSI { 1134} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HG )) 3.400 1.400 1.400 peak 1134 spectrum 1 weight 0.11000E+01 volume 0.10977E-02 ppm1 8.295 ppm2 1.496 CV 1 ASSI { 1141} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG2%) 2.400 2.400 3.600 peak 1141 spectrum 1 weight 0.11000E+01 volume 0.13558E-02 ppm1 7.637 ppm2 0.054 CV 1 ASSI { 1142} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB )) 2.100 0.500 0.500 peak 1142 spectrum 1 weight 0.11000E+01 volume 0.47693E-02 ppm1 7.639 ppm2 1.796 CV 1 ASSI { 1156} (( segid " " and resid 127 and name HN )) (( segid " " and resid 132 and name HN )) 1.900 0.400 0.400 peak 1156 spectrum 1 weight 0.11000E+01 volume 0.41736E-02 ppm1 8.487 ppm2 7.861 CV 1 ASSI { 1157} (( segid " " and resid 132 and name HN )) ( segid " " and resid 122 and name HE% ) 5.500 5.500 0.500 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.36386E-03 ppm1 7.849 ppm2 6.601 CV 1 ASSI { 1158} (( segid " " and resid 125 and name HN )) (( segid " " and resid 132 and name HN )) 6.000 4.500 0.000 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.41840E-03 ppm1 8.089 ppm2 7.840 CV 1 ASSI { 1160} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 36 and name HE3 )) 3.700 3.700 2.300 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.11414E-02 ppm1 10.071 ppm2 7.162 CV 1 ASSI { 1162} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 34 and name HB2 )) 4.400 2.400 1.600 peak 1162 spectrum 1 weight 0.11000E+01 volume 0.44980E-03 ppm1 10.070 ppm2 1.958 CV 1 ASSI { 1164} (( segid " " and resid 88 and name HN )) (( segid " " and resid 66 and name HN )) 2.600 0.900 0.900 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.38877E-02 ppm1 8.891 ppm2 9.139 CV 1 ASSI { 1167} (( segid " " and resid 88 and name HN )) (( segid " " and resid 66 and name HB )) 4.500 2.500 1.500 peak 1167 spectrum 1 weight 0.11000E+01 volume 0.54284E-03 ppm1 8.893 ppm2 1.698 CV 1 ASSI { 1168} (( segid " " and resid 88 and name HN )) ( segid " " and resid 87 and name HG1%) 3.300 1.400 1.400 peak 1168 spectrum 1 weight 0.11000E+01 volume 0.21435E-02 ppm1 8.889 ppm2 0.966 CV 1 ASSI { 1174} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HN )) 2.500 0.800 0.800 peak 1174 spectrum 1 weight 0.11000E+01 volume 0.43186E-02 ppm1 7.591 ppm2 9.147 CV 1 ASSI { 1176} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HN )) 2.200 0.600 0.600 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.94493E-02 ppm1 7.590 ppm2 7.722 CV 1 ASSI { 1181} (( segid " " and resid 120 and name HN )) (( segid " " and resid 97 and name HB1 )) 5.200 5.200 0.800 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.15711E-02 ppm1 7.591 ppm2 2.333 CV 1 OR { 1181} (( segid " " and resid 120 and name HN )) (( segid " " and resid 97 and name HB2 )) ASSI { 1183} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HD2 )) 5.200 3.400 0.800 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.47790E-03 ppm1 7.591 ppm2 1.359 CV 1 OR { 1183} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HD1 )) ASSI { 1192} (( segid " " and resid 122 and name HN )) (( segid " " and resid 138 and name HG )) 5.900 4.300 0.100 peak 1192 spectrum 1 weight 0.11000E+01 volume 0.28878E-03 ppm1 9.377 ppm2 1.909 CV 1 ASSI { 1193} (( segid " " and resid 122 and name HN )) (( segid " " and resid 125 and name HB2 )) 5.500 3.700 0.500 peak 1193 spectrum 1 weight 0.11000E+01 volume 0.21392E-03 ppm1 9.378 ppm2 2.122 CV 1 ASSI { 1195} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) 2.600 0.800 0.800 peak 1195 spectrum 1 weight 0.11000E+01 volume 0.24318E-02 ppm1 9.379 ppm2 3.249 CV 1 ASSI { 1197} (( segid " " and resid 122 and name HN )) (( segid " " and resid 118 and name HA )) 3.300 1.400 1.400 peak 1197 spectrum 1 weight 0.11000E+01 volume 0.99573E-03 ppm1 9.380 ppm2 3.936 CV 1 ASSI { 1198} (( segid " " and resid 122 and name HN )) (( segid " " and resid 120 and name HA )) 5.200 5.200 0.800 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.36386E-03 ppm1 9.382 ppm2 4.760 CV 1 ASSI { 1202} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) 2.700 0.900 0.900 peak 1202 spectrum 1 weight 0.11000E+01 volume 0.26459E-02 ppm1 7.989 ppm2 9.382 CV 1 ASSI { 1206} (( segid " " and resid 122 and name HN )) (( segid " " and resid 132 and name HG11)) 4.500 2.500 1.500 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.57305E-03 ppm1 9.386 ppm2 0.997 CV 1 ASSI { 1207} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB2 )) 3.400 1.500 1.500 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.24818E-02 ppm1 8.659 ppm2 1.745 CV 1 ASSI { 1209} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HD2 )) 4.100 4.100 1.900 peak 1209 spectrum 1 weight 0.11000E+01 volume 0.48522E-03 ppm1 8.655 ppm2 3.453 CV 1 ASSI { 1210} (( segid " " and resid 131 and name HN )) (( segid " " and resid 127 and name HA )) 3.700 3.700 2.300 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.26315E-02 ppm1 8.660 ppm2 4.493 CV 1 ASSI { 1214} (( segid " " and resid 69 and name HN )) (( segid " " and resid 142 and name HA )) 4.700 2.700 1.300 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.86206E-03 ppm1 8.728 ppm2 5.053 CV 1 ASSI { 1215} (( segid " " and resid 69 and name HN )) (( segid " " and resid 143 and name HB )) 2.900 1.100 1.100 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.13239E-02 ppm1 8.727 ppm2 4.076 CV 1 ASSI { 1216} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB )) 3.000 1.100 1.100 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.22587E-02 ppm1 8.728 ppm2 2.212 CV 1 ASSI { 1217} (( segid " " and resid 69 and name HN )) (( segid " " and resid 145 and name HG1 )) 4.200 2.200 1.800 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.58817E-03 ppm1 8.728 ppm2 1.562 CV 1 ASSI { 1218} (( segid " " and resid 69 and name HN )) (( segid " " and resid 145 and name HG2 )) 4.000 2.000 2.000 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.35772E-03 ppm1 8.727 ppm2 1.443 CV 1 ASSI { 1222} (( segid " " and resid 64 and name HN )) ( segid " " and resid 90 and name HD2%) 3.700 1.700 1.700 peak 1222 spectrum 1 weight 0.11000E+01 volume 0.11409E-02 ppm1 8.060 ppm2 0.753 CV 1 ASSI { 1223} (( segid " " and resid 64 and name HN )) ( segid " " and resid 61 and name HG1%) 4.600 2.600 1.400 peak 1223 spectrum 1 weight 0.11000E+01 volume 0.76597E-03 ppm1 8.063 ppm2 0.959 CV 1 ASSI { 1224} (( segid " " and resid 64 and name HN )) (( segid " " and resid 90 and name HB2 )) 4.400 4.400 1.600 peak 1224 spectrum 1 weight 0.11000E+01 volume 0.73314E-03 ppm1 8.057 ppm2 1.423 CV 1 ASSI { 1225} (( segid " " and resid 64 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.000 1.100 1.100 peak 1225 spectrum 1 weight 0.11000E+01 volume 0.14481E-02 ppm1 8.060 ppm2 1.948 CV 1 ASSI { 1230} (( segid " " and resid 64 and name HE22)) ( segid " " and resid 61 and name HG2%) 2.600 2.600 3.400 peak 1230 spectrum 1 weight 0.11000E+01 volume 0.31994E-03 ppm1 7.296 ppm2 0.769 CV 1 ASSI { 1232} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HB2 )) 5.700 4.000 0.300 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.60800E-03 ppm1 7.287 ppm2 1.604 CV 1 ASSI { 1233} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 64 and name HA )) 4.700 2.700 1.300 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.61910E-03 ppm1 7.296 ppm2 4.456 CV 1 ASSI { 1234} (( segid " " and resid 64 and name HE22)) (( segid " " and resid 149 and name HA )) 4.100 2.100 1.900 peak 1234 spectrum 1 weight 0.11000E+01 volume 0.55913E-03 ppm1 7.299 ppm2 4.819 CV 1 ASSI { 1236} (( segid " " and resid 149 and name HN )) (( segid " " and resid 64 and name HE22)) 4.600 2.600 1.400 peak 1236 spectrum 1 weight 0.11000E+01 volume 0.10656E-02 ppm1 8.508 ppm2 7.299 CV 1 ASSI { 1237} (( segid " " and resid 64 and name HE21)) ( segid " " and resid 61 and name HG2%) 2.500 2.500 3.500 peak 1237 spectrum 1 weight 0.11000E+01 volume 0.36716E-03 ppm1 6.330 ppm2 0.768 CV 1 ASSI { 1241} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 149 and name HA )) 3.900 1.900 1.900 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.30601E-03 ppm1 6.330 ppm2 4.849 CV 1 ASSI { 1242} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 150 and name HN )) 3.900 1.900 1.900 peak 1242 spectrum 1 weight 0.11000E+01 volume 0.40848E-03 ppm1 6.332 ppm2 8.712 CV 1 ASSI { 1246} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 64 and name HB2 )) 5.000 3.100 1.000 peak 1246 spectrum 1 weight 0.11000E+01 volume 0.31191E-03 ppm1 6.324 ppm2 1.600 CV 1 ASSI { 1247} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HG2%) 4.200 2.200 1.800 peak 1247 spectrum 1 weight 0.11000E+01 volume 0.17763E-02 ppm1 9.051 ppm2 0.262 CV 1 ASSI { 1248} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HD1%) 5.300 3.500 0.700 peak 1248 spectrum 1 weight 0.11000E+01 volume 0.50104E-03 ppm1 9.048 ppm2 0.733 CV 1 ASSI { 1251} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB )) 2.900 1.100 1.100 peak 1251 spectrum 1 weight 0.11000E+01 volume 0.31536E-02 ppm1 9.049 ppm2 2.096 CV 1 ASSI { 1254} (( segid " " and resid 97 and name HN )) (( segid " " and resid 100 and name HN )) 4.300 2.300 1.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.66585E-03 ppm1 9.051 ppm2 7.221 CV 1 ASSI { 1260} (( segid " " and resid 97 and name HE21)) (( segid " " and resid 97 and name HB2 )) 4.100 2.100 1.900 peak 1260 spectrum 1 weight 0.11000E+01 volume 0.10439E-02 ppm1 7.740 ppm2 2.246 CV 1 OR { 1260} (( segid " " and resid 97 and name HE21)) (( segid " " and resid 97 and name HB1 )) ASSI { 1262} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 101 and name HN )) 6.000 4.600 0.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.45405E-03 ppm1 6.778 ppm2 8.201 CV 1 ASSI { 1263} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 94 and name HN )) 5.000 3.100 1.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.42831E-03 ppm1 6.777 ppm2 9.099 CV 1 ASSI { 1265} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 100 and name HN )) 6.000 5.300 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.40825E-03 ppm1 6.775 ppm2 7.224 CV 1 ASSI { 1268} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 101 and name HG )) 5.200 3.400 0.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.46255E-03 ppm1 6.771 ppm2 1.828 CV 1 ASSI { 1272} (( segid " " and resid 97 and name HE21)) ( segid " " and resid 101 and name HD1%) 4.400 2.400 1.600 peak 1272 spectrum 1 weight 0.11000E+01 volume 0.62948E-03 ppm1 7.748 ppm2 0.689 CV 1 ASSI { 1273} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HB2 )) 5.700 4.100 0.300 peak 1273 spectrum 1 weight 0.11000E+01 volume 0.25713E-03 ppm1 6.772 ppm2 2.261 CV 1 OR { 1273} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 97 and name HB1 )) ASSI { 1276} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.300 1.300 1.300 peak 1276 spectrum 1 weight 0.11000E+01 volume 0.14830E-02 ppm1 8.075 ppm2 1.895 CV 1 ASSI { 1282} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HN )) 2.300 0.700 0.700 peak 1282 spectrum 1 weight 0.11000E+01 volume 0.56007E-02 ppm1 8.077 ppm2 7.070 CV 1 ASSI { 1284} (( segid " " and resid 125 and name HN )) (( segid " " and resid 127 and name HN )) 6.000 6.000 0.000 peak 1284 spectrum 1 weight 0.11000E+01 volume 0.33032E-03 ppm1 8.072 ppm2 8.521 CV 1 ASSI { 1287} (( segid " " and resid 125 and name HE21)) (( segid " " and resid 125 and name HE22)) 1.300 0.200 0.900 peak 1287 spectrum 1 weight 0.11000E+01 volume 0.98599E-01 ppm1 7.521 ppm2 6.837 CV 1 ASSI { 1295} (( segid " " and resid 125 and name HE21)) (( segid " " and resid 122 and name HA )) 3.200 3.200 2.800 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.89819E-03 ppm1 7.519 ppm2 4.590 CV 1 ASSI { 1297} (( segid " " and resid 125 and name HE21)) (( segid " " and resid 124 and name HD2 )) 3.500 3.500 2.500 peak 1297 spectrum 1 weight 0.11000E+01 volume 0.79878E-03 ppm1 7.519 ppm2 3.609 CV 1 ASSI { 1302} (( segid " " and resid 125 and name HE22)) (( segid " " and resid 125 and name HN )) 4.600 2.600 1.400 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 6.828 ppm2 8.095 CV 1 ASSI { 1310} (( segid " " and resid 125 and name HE22)) (( segid " " and resid 125 and name HG1 )) 4.700 4.700 1.300 peak 1310 spectrum 1 weight 0.11000E+01 volume 0.60399E-03 ppm1 6.834 ppm2 2.508 CV 1 ASSI { 1311} (( segid " " and resid 125 and name HE21)) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.38232E-02 ppm1 7.523 ppm2 4.720 CV 1 ASSI { 1313} (( segid " " and resid 71 and name HN )) (( segid " " and resid 141 and name HN )) 3.000 1.100 1.100 peak 1313 spectrum 1 weight 0.11000E+01 volume 0.27191E-02 ppm1 9.067 ppm2 9.183 CV 1 ASSI { 1314} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 4.200 2.200 1.800 peak 1314 spectrum 1 weight 0.11000E+01 volume 0.14261E-02 ppm1 9.062 ppm2 1.933 CV 1 ASSI { 1316} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.600 1.700 1.700 peak 1316 spectrum 1 weight 0.11000E+01 volume 0.10609E-02 ppm1 9.061 ppm2 1.227 CV 1 ASSI { 1318} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD2%) 4.000 2.000 2.000 peak 1318 spectrum 1 weight 0.11000E+01 volume 0.92889E-03 ppm1 9.072 ppm2 0.825 CV 1 ASSI { 1323} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 71 and name HN )) 2.200 0.600 0.600 peak 1323 spectrum 1 weight 0.11000E+01 volume 0.59289E-03 ppm1 7.479 ppm2 9.057 CV 1 ASSI { 1324} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 69 and name HE1 )) 5.100 3.300 0.900 peak 1324 spectrum 1 weight 0.11000E+01 volume 0.63964E-03 ppm1 7.479 ppm2 7.768 CV 1 ASSI { 1328} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 113 and name HA )) 6.000 5.000 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.25336E-03 ppm1 7.479 ppm2 5.518 CV 1 ASSI { 1329} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 141 and name HA )) 5.200 3.400 0.800 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.32443E-03 ppm1 7.478 ppm2 5.217 CV 1 ASSI { 1330} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 72 and name HA )) 4.300 2.400 1.700 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.37566E-03 ppm1 7.474 ppm2 4.916 CV 1 ASSI { 1332} (( segid " " and resid 71 and name HE21)) (( segid " " and resid 71 and name HB2 )) 2.300 2.300 3.700 peak 1332 spectrum 1 weight 0.11000E+01 volume 0.17380E-02 ppm1 7.481 ppm2 2.021 CV 1 ASSI { 1338} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 142 and name HN )) 4.600 2.700 1.400 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.72252E-03 ppm1 6.661 ppm2 9.388 CV 1 ASSI { 1344} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 141 and name HB2 )) 3.200 1.300 1.300 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 6.663 ppm2 1.948 CV 1 OR { 1344} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 141 and name HG2 )) ASSI { 1348} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD2%) 3.500 1.600 1.600 peak 1348 spectrum 1 weight 0.11000E+01 volume 0.26996E-02 ppm1 8.660 ppm2 0.840 CV 1 ASSI { 1350} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) 4.400 2.500 1.600 peak 1350 spectrum 1 weight 0.11000E+01 volume 0.12509E-02 ppm1 8.658 ppm2 1.745 CV 1 ASSI { 1354} (( segid " " and resid 75 and name HN )) (( segid " " and resid 139 and name HN )) 4.500 2.500 1.500 peak 1354 spectrum 1 weight 0.11000E+01 volume 0.51238E-03 ppm1 8.658 ppm2 8.839 CV 1 ASSI { 1360} (( segid " " and resid 83 and name HN )) (( segid " " and resid 69 and name HD2 )) 4.300 2.300 1.700 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.45523E-03 ppm1 9.064 ppm2 6.916 CV 1 ASSI { 1364} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HN )) 3.300 1.400 1.400 peak 1364 spectrum 1 weight 0.11000E+01 volume 0.28993E-02 ppm1 8.309 ppm2 8.810 CV 1 ASSI { 1369} (( segid " " and resid 141 and name HN )) (( segid " " and resid 69 and name HD2 )) 5.300 3.500 0.700 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.37283E-03 ppm1 9.184 ppm2 6.933 CV 1 ASSI { 1371} (( segid " " and resid 141 and name HN )) (( segid " " and resid 71 and name HG1 )) 2.400 2.400 3.600 peak 1371 spectrum 1 weight 0.11000E+01 volume 0.53221E-03 ppm1 9.188 ppm2 2.322 CV 1 ASSI { 1372} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.300 1.300 1.300 peak 1372 spectrum 1 weight 0.11000E+01 volume 0.14483E-02 ppm1 9.189 ppm2 1.281 CV 1 ASSI { 1374} (( segid " " and resid 141 and name HN )) ( segid " " and resid 114 and name HG2%) 4.100 4.100 1.900 peak 1374 spectrum 1 weight 0.11000E+01 volume 0.12724E-02 ppm1 9.188 ppm2 0.831 CV 1 ASSI { 1385} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HB2 )) 4.500 2.500 1.500 peak 1385 spectrum 1 weight 0.11000E+01 volume 0.99779E-03 ppm1 8.514 ppm2 2.499 CV 1 ASSI { 1387} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.200 1.300 1.300 peak 1387 spectrum 1 weight 0.11000E+01 volume 0.43500E-02 ppm1 8.515 ppm2 1.574 CV 1 OR { 1387} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB1 )) ASSI { 1388} (( segid " " and resid 151 and name HN )) ( segid " " and resid 150 and name HD1%) 1.900 1.900 4.100 peak 1388 spectrum 1 weight 0.11000E+01 volume 0.20927E-02 ppm1 8.519 ppm2 0.858 CV 1 OR { 1388} (( segid " " and resid 151 and name HN )) ( segid " " and resid 150 and name HD2%) ASSI { 1390} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.300 0.700 0.700 peak 1390 spectrum 1 weight 0.11000E+01 volume 0.79453E-02 ppm1 7.068 ppm2 9.886 CV 1 ASSI { 1391} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 1391 spectrum 1 weight 0.11000E+01 volume 0.36046E-02 ppm1 7.069 ppm2 7.566 CV 1 ASSI { 1398} (( segid " " and resid 42 and name HN )) ( segid " " and resid 40 and name HD2%) 4.800 2.900 1.200 peak 1398 spectrum 1 weight 0.11000E+01 volume 0.59879E-03 ppm1 7.072 ppm2 0.576 CV 1 ASSI { 1401} (( segid " " and resid 42 and name HN )) ( segid " " and resid 40 and name HD1%) 5.500 3.800 0.500 peak 1401 spectrum 1 weight 0.11000E+01 volume 0.30671E-03 ppm1 7.071 ppm2 0.808 CV 1 ASSI { 1404} (( segid " " and resid 42 and name HD22)) (( segid " " and resid 38 and name HA )) 3.700 3.700 2.300 peak 1404 spectrum 1 weight 0.11000E+01 volume 0.85120E-03 ppm1 7.848 ppm2 4.729 CV 1 ASSI { 1405} (( segid " " and resid 42 and name HD22)) (( segid " " and resid 44 and name HB1 )) 6.000 4.700 0.000 peak 1405 spectrum 1 weight 0.11000E+01 volume 0.22738E-03 ppm1 7.856 ppm2 1.970 CV 1 ASSI { 1406} (( segid " " and resid 42 and name HD22)) (( segid " " and resid 44 and name HG )) 5.800 4.200 0.200 peak 1406 spectrum 1 weight 0.11000E+01 volume 0.28617E-03 ppm1 7.853 ppm2 1.579 CV 1 ASSI { 1408} (( segid " " and resid 42 and name HD22)) ( segid " " and resid 44 and name HD1%) 4.900 3.000 1.100 peak 1408 spectrum 1 weight 0.11000E+01 volume 0.41108E-03 ppm1 7.852 ppm2 0.945 CV 1 ASSI { 1409} (( segid " " and resid 42 and name HD22)) ( segid " " and resid 45 and name HD2%) 5.100 3.200 0.900 peak 1409 spectrum 1 weight 0.11000E+01 volume 0.21038E-03 ppm1 7.849 ppm2 0.520 CV 1 ASSI { 1411} (( segid " " and resid 42 and name HD21)) (( segid " " and resid 38 and name HA )) 3.300 3.300 2.700 peak 1411 spectrum 1 weight 0.11000E+01 volume 0.17348E-02 ppm1 6.492 ppm2 4.727 CV 1 ASSI { 1412} (( segid " " and resid 42 and name HD21)) (( segid " " and resid 44 and name HG )) 5.200 3.400 0.800 peak 1412 spectrum 1 weight 0.11000E+01 volume 0.64767E-03 ppm1 6.488 ppm2 1.577 CV 1 ASSI { 1414} (( segid " " and resid 42 and name HD21)) ( segid " " and resid 44 and name HD1%) 4.000 2.000 2.000 peak 1414 spectrum 1 weight 0.11000E+01 volume 0.83491E-03 ppm1 6.489 ppm2 0.945 CV 1 ASSI { 1415} (( segid " " and resid 42 and name HD21)) ( segid " " and resid 40 and name HD2%) 5.200 3.400 0.800 peak 1415 spectrum 1 weight 0.11000E+01 volume 0.57305E-03 ppm1 6.491 ppm2 0.591 CV 1 ASSI { 1420} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 74 and name HA )) 5.000 3.200 1.000 peak 1420 spectrum 1 weight 0.11000E+01 volume 0.10935E-02 ppm1 7.643 ppm2 4.724 CV 1 ASSI { 1421} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 76 and name HB1 )) 5.100 3.200 0.900 peak 1421 spectrum 1 weight 0.11000E+01 volume 0.49278E-03 ppm1 7.638 ppm2 3.323 CV 1 ASSI { 1422} (( segid " " and resid 76 and name HD22)) (( segid " " and resid 76 and name HB2 )) 4.800 2.900 1.200 peak 1422 spectrum 1 weight 0.11000E+01 volume 0.55511E-03 ppm1 7.638 ppm2 2.864 CV 1 ASSI { 1424} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 74 and name HA )) 3.700 1.700 1.700 peak 1424 spectrum 1 weight 0.11000E+01 volume 0.20381E-02 ppm1 6.851 ppm2 4.726 CV 1 ASSI { 1425} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 76 and name HA )) 4.400 4.400 1.600 peak 1425 spectrum 1 weight 0.11000E+01 volume 0.59313E-03 ppm1 6.851 ppm2 4.523 CV 1 ASSI { 1427} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 76 and name HB1 )) 4.100 2.100 1.900 peak 1427 spectrum 1 weight 0.11000E+01 volume 0.68214E-03 ppm1 6.846 ppm2 3.337 CV 1 ASSI { 1428} (( segid " " and resid 76 and name HD21)) (( segid " " and resid 76 and name HB2 )) 3.500 1.500 1.500 peak 1428 spectrum 1 weight 0.11000E+01 volume 0.61319E-03 ppm1 6.852 ppm2 2.854 CV 1 ASSI { 1437} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HD1%) 3.900 1.900 1.900 peak 1437 spectrum 1 weight 0.11000E+01 volume 0.21992E-02 ppm1 8.982 ppm2 0.984 CV 1 ASSI { 1445} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HN )) 2.600 0.800 0.800 peak 1445 spectrum 1 weight 0.11000E+01 volume 0.39528E-02 ppm1 7.803 ppm2 8.955 CV 1 ASSI { 1447} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HN )) 2.400 0.700 0.700 peak 1447 spectrum 1 weight 0.11000E+01 volume 0.57226E-02 ppm1 7.803 ppm2 10.638 CV 1 ASSI { 1458} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HN )) 2.900 1.000 1.000 peak 1458 spectrum 1 weight 0.11000E+01 volume 0.25883E-02 ppm1 8.946 ppm2 9.097 CV 1 ASSI { 1460} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 2.600 0.900 0.900 peak 1460 spectrum 1 weight 0.11000E+01 volume 0.31462E-02 ppm1 7.200 ppm2 8.233 CV 1 ASSI { 1461} (( segid " " and resid 100 and name HN )) (( segid " " and resid 103 and name HN )) 4.400 2.400 1.600 peak 1461 spectrum 1 weight 0.11000E+01 volume 0.41297E-03 ppm1 7.207 ppm2 7.955 CV 1 ASSI { 1465} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HA )) 3.300 1.400 1.400 peak 1465 spectrum 1 weight 0.11000E+01 volume 0.23267E-02 ppm1 7.200 ppm2 4.016 CV 1 ASSI { 1467} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB1 )) 2.700 0.900 0.900 peak 1467 spectrum 1 weight 0.11000E+01 volume 0.20813E-02 ppm1 7.202 ppm2 1.481 CV 1 ASSI { 1468} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HB2 )) 4.500 4.500 1.500 peak 1468 spectrum 1 weight 0.11000E+01 volume 0.68144E-03 ppm1 7.200 ppm2 1.174 CV 1 ASSI { 1470} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HD2%) 4.300 2.300 1.700 peak 1470 spectrum 1 weight 0.11000E+01 volume 0.10132E-02 ppm1 7.199 ppm2 0.747 CV 1 ASSI { 1478} (( segid " " and resid 107 and name HN )) (( segid " " and resid 59 and name HA )) 4.800 2.900 1.200 peak 1478 spectrum 1 weight 0.11000E+01 volume 0.49018E-03 ppm1 7.638 ppm2 5.190 CV 1 ASSI { 1479} (( segid " " and resid 107 and name HN )) (( segid " " and resid 53 and name HA2 )) 5.100 3.300 0.900 peak 1479 spectrum 1 weight 0.11000E+01 volume 0.54590E-03 ppm1 7.652 ppm2 3.426 CV 1 ASSI { 1480} (( segid " " and resid 44 and name HN )) (( segid " " and resid 117 and name HB2 )) 4.200 4.200 1.800 peak 1480 spectrum 1 weight 0.11000E+01 volume 0.18757E-02 ppm1 7.651 ppm2 2.422 CV 1 ASSI { 1494} (( segid " " and resid 117 and name HN )) (( segid " " and resid 44 and name HB1 )) 5.100 3.200 0.900 peak 1494 spectrum 1 weight 0.11000E+01 volume 0.57400E-03 ppm1 8.162 ppm2 1.955 CV 1 ASSI { 1495} (( segid " " and resid 117 and name HN )) (( segid " " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 1495 spectrum 1 weight 0.11000E+01 volume 0.11454E-02 ppm1 8.164 ppm2 1.677 CV 1 ASSI { 1496} (( segid " " and resid 117 and name HN )) (( segid " " and resid 138 and name HB2 )) 4.800 2.900 1.200 peak 1496 spectrum 1 weight 0.11000E+01 volume 0.35724E-03 ppm1 8.158 ppm2 1.430 CV 1 ASSI { 1497} (( segid " " and resid 117 and name HN )) ( segid " " and resid 116 and name HB% ) 3.200 1.300 1.300 peak 1497 spectrum 1 weight 0.11000E+01 volume 0.27784E-02 ppm1 8.160 ppm2 1.096 CV 1 ASSI { 1498} (( segid " " and resid 117 and name HN )) ( segid " " and resid 45 and name HD1%) 4.100 2.100 1.900 peak 1498 spectrum 1 weight 0.11000E+01 volume 0.18783E-02 ppm1 8.161 ppm2 0.804 CV 1 ASSI { 1503} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB )) 3.000 1.200 1.200 peak 1503 spectrum 1 weight 0.11000E+01 volume 0.64453E-02 ppm1 8.505 ppm2 2.112 CV 1 ASSI { 1504} (( segid " " and resid 149 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.400 1.400 1.400 peak 1504 spectrum 1 weight 0.11000E+01 volume 0.98439E-03 ppm1 8.505 ppm2 2.208 CV 1 ASSI { 1505} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB1 )) 4.500 2.500 1.500 peak 1505 spectrum 1 weight 0.11000E+01 volume 0.42690E-03 ppm1 8.503 ppm2 1.584 CV 1 OR { 1505} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB2 )) ASSI { 1506} (( segid " " and resid 149 and name HN )) ( segid " " and resid 148 and name HG1%) 3.600 1.600 1.600 peak 1506 spectrum 1 weight 0.11000E+01 volume 0.30790E-02 ppm1 8.506 ppm2 0.868 CV 1 ASSI { 1511} (( segid " " and resid 47 and name HN )) (( segid " " and resid 38 and name HA )) 4.600 2.600 1.400 peak 1511 spectrum 1 weight 0.11000E+01 volume 0.92510E-03 ppm1 9.007 ppm2 4.739 CV 1 ASSI { 1513} (( segid " " and resid 47 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.900 1.000 1.000 peak 1513 spectrum 1 weight 0.11000E+01 volume 0.18479E-02 ppm1 9.009 ppm2 1.906 CV 1 ASSI { 1515} (( segid " " and resid 47 and name HN )) ( segid " " and resid 39 and name HD1%) 3.900 1.900 1.900 peak 1515 spectrum 1 weight 0.11000E+01 volume 0.10028E-02 ppm1 9.014 ppm2 0.743 CV 1 ASSI { 1517} (( segid " " and resid 105 and name HN )) (( segid " " and resid 102 and name HN )) 4.200 2.300 1.800 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.50010E-03 ppm1 7.379 ppm2 7.183 CV 1 ASSI { 1519} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 4.200 2.200 1.800 peak 1519 spectrum 1 weight 0.11000E+01 volume 0.40919E-03 ppm1 7.964 ppm2 4.255 CV 1 ASSI { 1520} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 2.800 1.000 1.000 peak 1520 spectrum 1 weight 0.11000E+01 volume 0.43053E-02 ppm1 7.965 ppm2 4.594 CV 1 ASSI { 1521} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.300 1.300 1.300 peak 1521 spectrum 1 weight 0.11000E+01 volume 0.20655E-02 ppm1 7.966 ppm2 1.590 CV 1 OR { 1521} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) ASSI { 1522} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG )) 4.200 2.200 1.800 peak 1522 spectrum 1 weight 0.11000E+01 volume 0.42997E-03 ppm1 7.966 ppm2 1.842 CV 1 ASSI { 1524} (( segid " " and resid 20 and name HN )) ( segid " " and resid 20 and name HD1%) 5.400 3.600 0.600 peak 1524 spectrum 1 weight 0.11000E+01 volume 0.33954E-03 ppm1 7.972 ppm2 0.710 CV 1 ASSI { 1525} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 4.200 2.200 1.800 peak 1525 spectrum 1 weight 0.11000E+01 volume 0.67057E-03 ppm1 7.968 ppm2 3.174 CV 1 ASSI { 1529} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD% ) 4.400 4.400 1.600 peak 1529 spectrum 1 weight 0.11000E+01 volume 0.36433E-03 ppm1 7.968 ppm2 7.304 CV 1 ASSI { 1532} (( segid " " and resid 121 and name HN )) (( segid " " and resid 123 and name HN )) 3.100 1.200 1.200 peak 1532 spectrum 1 weight 0.11000E+01 volume 0.20105E-02 ppm1 7.718 ppm2 7.989 CV 1 ASSI { 1535} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 4.800 2.900 1.200 peak 1535 spectrum 1 weight 0.11000E+01 volume 0.30152E-03 ppm1 7.957 ppm2 3.037 CV 1 ASSI { 1539} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 3.600 1.600 1.600 peak 1539 spectrum 1 weight 0.11000E+01 volume 0.11910E-02 ppm1 8.101 ppm2 7.961 CV 1 ASSI { 1569} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB1 )) 2.500 0.800 0.800 peak 1569 spectrum 1 weight 0.11000E+01 volume 0.36081E-02 ppm1 8.203 ppm2 4.040 CV 1 ASSI { 1573} (( segid " " and resid 58 and name HN )) (( segid " " and resid 108 and name HB )) 2.500 0.800 0.800 peak 1573 spectrum 1 weight 0.11000E+01 volume 0.20963E-02 ppm1 8.205 ppm2 2.050 CV 1 ASSI { 1574} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HG2 )) 4.600 2.600 1.400 peak 1574 spectrum 1 weight 0.11000E+01 volume 0.29703E-03 ppm1 8.207 ppm2 1.607 CV 1 ASSI { 1581} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 1581 spectrum 1 weight 0.11000E+01 volume 0.63093E-02 ppm1 8.023 ppm2 3.796 CV 1 ASSI { 1585} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HA )) 3.300 3.300 2.700 peak 1585 spectrum 1 weight 0.11000E+01 volume 0.18308E-02 ppm1 8.022 ppm2 4.652 CV 1 ASSI { 1592} (( segid " " and resid 53 and name HN )) (( segid " " and resid 109 and name HA2 )) 4.400 2.500 1.600 peak 1592 spectrum 1 weight 0.11000E+01 volume 0.10621E-02 ppm1 9.203 ppm2 3.736 CV 1 ASSI { 1594} (( segid " " and resid 53 and name HN )) (( segid " " and resid 110 and name HG1 )) 4.500 4.500 1.500 peak 1594 spectrum 1 weight 0.11000E+01 volume 0.73503E-03 ppm1 9.206 ppm2 2.698 CV 1 ASSI { 1598} (( segid " " and resid 53 and name HN )) (( segid " " and resid 110 and name HB2 )) 2.300 0.700 0.700 peak 1598 spectrum 1 weight 0.11000E+01 volume 0.31694E-02 ppm1 9.204 ppm2 2.021 CV 1 ASSI { 1599} (( segid " " and resid 53 and name HN )) ( segid " " and resid 51 and name HG1%) 3.300 3.300 2.700 peak 1599 spectrum 1 weight 0.11000E+01 volume 0.13369E-02 ppm1 9.204 ppm2 1.032 CV 1 ASSI { 1603} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.900 1.900 1.900 peak 1603 spectrum 1 weight 0.11000E+01 volume 0.11081E-02 ppm1 7.561 ppm2 1.600 CV 1 ASSI { 1604} (( segid " " and resid 41 and name HN )) (( segid " " and resid 45 and name HB1 )) 5.100 3.200 0.900 peak 1604 spectrum 1 weight 0.11000E+01 volume 0.50198E-03 ppm1 7.558 ppm2 1.702 CV 1 ASSI { 1613} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HN )) 4.500 2.500 1.500 peak 1613 spectrum 1 weight 0.11000E+01 volume 0.11964E-02 ppm1 9.877 ppm2 7.565 CV 1 ASSI { 1615} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HA1 )) 5.700 5.700 0.300 peak 1615 spectrum 1 weight 0.11000E+01 volume 0.68190E-03 ppm1 7.561 ppm2 4.041 CV 1 ASSI { 1616} (( segid " " and resid 43 and name HN )) ( segid " " and resid 45 and name HD2%) 6.000 6.000 0.000 peak 1616 spectrum 1 weight 0.11000E+01 volume 0.17520E-03 ppm1 9.880 ppm2 0.534 CV 1 ASSI { 1617} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HB2 )) 6.000 6.000 0.000 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.44579E-03 ppm1 9.881 ppm2 0.818 CV 1 ASSI { 1620} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA2 )) 3.900 1.900 1.900 peak 1620 spectrum 1 weight 0.11000E+01 volume 0.12342E-02 ppm1 9.876 ppm2 3.580 CV 1 ASSI { 1626} (( segid " " and resid 63 and name HN )) (( segid " " and resid 90 and name HB1 )) 2.400 0.700 0.700 peak 1626 spectrum 1 weight 0.11000E+01 volume 0.19158E-02 ppm1 8.736 ppm2 1.937 CV 1 ASSI { 1629} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG1 )) 4.400 2.500 1.600 peak 1629 spectrum 1 weight 0.11000E+01 volume 0.10613E-02 ppm1 8.735 ppm2 1.537 CV 1 ASSI { 1632} (( segid " " and resid 63 and name HN )) ( segid " " and resid 89 and name HG2%) 3.600 1.600 1.600 peak 1632 spectrum 1 weight 0.11000E+01 volume 0.11162E-02 ppm1 8.737 ppm2 0.968 CV 1 ASSI { 1636} (( segid " " and resid 77 and name HN )) (( segid " " and resid 139 and name HN )) 2.600 2.600 3.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.29137E-03 ppm1 8.195 ppm2 8.840 CV 1 ASSI { 1637} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HB )) 4.600 2.600 1.400 peak 1637 spectrum 1 weight 0.11000E+01 volume 0.11636E-02 ppm1 8.198 ppm2 4.049 CV 1 ASSI { 1640} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.600 1.600 1.600 peak 1640 spectrum 1 weight 0.11000E+01 volume 0.14124E-02 ppm1 8.195 ppm2 1.965 CV 1 OR { 1640} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 1641} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HG )) 6.000 4.400 0.000 peak 1641 spectrum 1 weight 0.11000E+01 volume 0.33316E-03 ppm1 8.197 ppm2 1.714 CV 1 ASSI { 1648} (( segid " " and resid 91 and name HN )) (( segid " " and resid 62 and name HA )) 4.500 2.500 1.500 peak 1648 spectrum 1 weight 0.11000E+01 volume 0.28475E-03 ppm1 10.626 ppm2 3.596 CV 1 ASSI { 1651} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HG )) 3.600 1.600 1.600 peak 1651 spectrum 1 weight 0.11000E+01 volume 0.55605E-03 ppm1 10.629 ppm2 1.573 CV 1 ASSI { 1656} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) 2.400 0.700 0.700 peak 1656 spectrum 1 weight 0.11000E+01 volume 0.44090E-02 ppm1 8.830 ppm2 8.482 CV 1 ASSI { 1658} (( segid " " and resid 109 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.400 2.400 3.600 peak 1658 spectrum 1 weight 0.11000E+01 volume 0.51521E-03 ppm1 8.828 ppm2 3.981 CV 1 ASSI { 1661} (( segid " " and resid 109 and name HN )) (( segid " " and resid 144 and name HB1 )) 3.000 1.100 1.100 peak 1661 spectrum 1 weight 0.11000E+01 volume 0.14691E-02 ppm1 8.829 ppm2 2.351 CV 1 ASSI { 1662} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB1 )) 4.600 4.600 1.400 peak 1662 spectrum 1 weight 0.11000E+01 volume 0.67152E-03 ppm1 8.831 ppm2 2.264 CV 1 ASSI { 1665} (( segid " " and resid 109 and name HN )) (( segid " " and resid 144 and name HG )) 3.000 1.100 1.100 peak 1665 spectrum 1 weight 0.11000E+01 volume 0.16479E-02 ppm1 8.827 ppm2 1.439 CV 1 ASSI { 1668} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HG1%) 3.100 1.200 1.200 peak 1668 spectrum 1 weight 0.11000E+01 volume 0.21432E-02 ppm1 8.830 ppm2 0.916 CV 1 ASSI { 1669} (( segid " " and resid 109 and name HN )) ( segid " " and resid 144 and name HD2%) 3.300 1.400 1.400 peak 1669 spectrum 1 weight 0.11000E+01 volume 0.41554E-02 ppm1 8.829 ppm2 0.825 CV 1 OR { 1669} (( segid " " and resid 109 and name HN )) ( segid " " and resid 144 and name HD1%) ASSI { 1672} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HD1 )) 3.700 1.700 1.700 peak 1672 spectrum 1 weight 0.11000E+01 volume 0.18835E-02 ppm1 7.988 ppm2 3.934 CV 1 ASSI { 1673} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HB1 )) 4.600 2.700 1.400 peak 1673 spectrum 1 weight 0.11000E+01 volume 0.86348E-03 ppm1 7.988 ppm2 3.254 CV 1 ASSI { 1675} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HB2 )) 4.300 2.300 1.700 peak 1675 spectrum 1 weight 0.11000E+01 volume 0.84530E-03 ppm1 7.990 ppm2 2.645 CV 1 ASSI { 1677} (( segid " " and resid 123 and name HN )) (( segid " " and resid 119 and name HG1 )) 5.700 5.700 0.300 peak 1677 spectrum 1 weight 0.11000E+01 volume 0.23517E-03 ppm1 7.984 ppm2 0.926 CV 1 ASSI { 1683} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HA )) 3.600 1.600 1.600 peak 1683 spectrum 1 weight 0.11000E+01 volume 0.79004E-03 ppm1 7.065 ppm2 4.517 CV 1 ASSI { 1688} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB1 )) 3.900 1.900 1.900 peak 1688 spectrum 1 weight 0.11000E+01 volume 0.20589E-02 ppm1 7.066 ppm2 2.256 CV 1 ASSI { 1699} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HD% ) 2.200 2.200 3.800 peak 1699 spectrum 1 weight 0.11000E+01 volume 0.72110E-03 ppm1 7.716 ppm2 6.913 CV 1 ASSI { 1701} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HB2 )) 4.500 2.500 1.500 peak 1701 spectrum 1 weight 0.11000E+01 volume 0.60304E-03 ppm1 7.718 ppm2 3.551 CV 1 OR { 1701} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HB1 )) ASSI { 1704} (( segid " " and resid 139 and name HN )) (( segid " " and resid 73 and name HN )) 3.000 1.100 1.100 peak 1704 spectrum 1 weight 0.11000E+01 volume 0.19721E-02 ppm1 8.826 ppm2 9.185 CV 1 ASSI { 1709} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HG )) 3.000 1.100 1.100 peak 1709 spectrum 1 weight 0.11000E+01 volume 0.30606E-02 ppm1 8.828 ppm2 1.883 CV 1 OR { 1709} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB1 )) ASSI { 1710} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) 3.500 1.500 1.500 peak 1710 spectrum 1 weight 0.11000E+01 volume 0.37625E-02 ppm1 8.828 ppm2 1.401 CV 1 ASSI { 1712} (( segid " " and resid 139 and name HN )) ( segid " " and resid 138 and name HD2%) 3.400 1.500 1.500 peak 1712 spectrum 1 weight 0.11000E+01 volume 0.29057E-02 ppm1 8.828 ppm2 0.845 CV 1 ASSI { 1715} (( segid " " and resid 73 and name HN )) (( segid " " and resid 79 and name HH11)) 5.600 3.900 0.400 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.19054E-03 ppm1 9.176 ppm2 6.817 CV 1 OR { 1715} (( segid " " and resid 73 and name HN )) (( segid " " and resid 79 and name HH12)) ASSI { 1717} (( segid " " and resid 73 and name HN )) (( segid " " and resid 140 and name HA )) 3.500 1.500 1.500 peak 1717 spectrum 1 weight 0.11000E+01 volume 0.16065E-02 ppm1 9.176 ppm2 5.279 CV 1 ASSI { 1718} (( segid " " and resid 73 and name HN )) (( segid " " and resid 139 and name HA )) 4.600 2.700 1.400 peak 1718 spectrum 1 weight 0.11000E+01 volume 0.28995E-03 ppm1 9.175 ppm2 5.081 CV 1 ASSI { 1724} (( segid " " and resid 73 and name HN )) ( segid " " and resid 72 and name HG2%) 2.700 0.900 0.900 peak 1724 spectrum 1 weight 0.11000E+01 volume 0.35096E-02 ppm1 9.175 ppm2 1.161 CV 1 ASSI { 1726} (( segid " " and resid 73 and name HN )) ( segid " " and resid 80 and name HG2%) 4.100 4.100 1.900 peak 1726 spectrum 1 weight 0.11000E+01 volume 0.11015E-02 ppm1 9.174 ppm2 0.831 CV 1 ASSI { 1727} (( segid " " and resid 73 and name HN )) ( segid " " and resid 80 and name HG1%) 4.000 4.000 2.000 peak 1727 spectrum 1 weight 0.11000E+01 volume 0.17718E-02 ppm1 9.175 ppm2 0.925 CV 1 ASSI { 1735} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HA )) 3.000 1.100 1.100 peak 1735 spectrum 1 weight 0.11000E+01 volume 0.18765E-02 ppm1 7.168 ppm2 4.180 CV 1 ASSI { 1736} (( segid " " and resid 102 and name HN )) (( segid " " and resid 98 and name HA )) 3.800 1.800 1.800 peak 1736 spectrum 1 weight 0.11000E+01 volume 0.57541E-03 ppm1 7.164 ppm2 3.826 CV 1 ASSI { 1738} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.400 2.400 3.600 peak 1738 spectrum 1 weight 0.11000E+01 volume 0.47506E-03 ppm1 7.162 ppm2 2.380 CV 1 ASSI { 1740} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HG2 )) 4.200 2.200 1.800 peak 1740 spectrum 1 weight 0.11000E+01 volume 0.81177E-03 ppm1 7.160 ppm2 1.796 CV 1 ASSI { 1741} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB1 )) 3.700 1.700 1.700 peak 1741 spectrum 1 weight 0.11000E+01 volume 0.17222E-02 ppm1 7.161 ppm2 1.582 CV 1 ASSI { 1742} (( segid " " and resid 102 and name HN )) (( segid " " and resid 47 and name HD2 )) 5.300 3.500 0.700 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.54354E-03 ppm1 7.161 ppm2 1.466 CV 1 ASSI { 1745} (( segid " " and resid 102 and name HN )) ( segid " " and resid 105 and name HD1%) 4.300 2.300 1.700 peak 1745 spectrum 1 weight 0.11000E+01 volume 0.79217E-03 ppm1 7.161 ppm2 0.969 CV 1 ASSI { 1747} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HN )) 2.700 0.900 0.900 peak 1747 spectrum 1 weight 0.11000E+01 volume 0.22507E-02 ppm1 8.616 ppm2 9.146 CV 1 ASSI { 1752} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HA )) 2.200 0.600 0.600 peak 1752 spectrum 1 weight 0.11000E+01 volume 0.95796E-02 ppm1 8.616 ppm2 4.461 CV 1 ASSI { 1753} (( segid " " and resid 118 and name HN )) (( segid " " and resid 121 and name HB1 )) 5.600 4.000 0.400 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.43139E-03 ppm1 8.618 ppm2 3.235 CV 1 ASSI { 1754} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.200 1.300 1.300 peak 1754 spectrum 1 weight 0.11000E+01 volume 0.82381E-03 ppm1 8.615 ppm2 2.976 CV 1 ASSI { 1755} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) 4.600 2.600 1.400 peak 1755 spectrum 1 weight 0.11000E+01 volume 0.50954E-03 ppm1 8.613 ppm2 2.462 CV 1 ASSI { 1756} (( segid " " and resid 118 and name HN )) ( segid " " and resid 137 and name HB% ) 4.000 2.000 2.000 peak 1756 spectrum 1 weight 0.11000E+01 volume 0.21971E-02 ppm1 8.614 ppm2 1.440 CV 1 ASSI { 1758} (( segid " " and resid 127 and name HN )) (( segid " " and resid 132 and name HG12)) 4.600 2.600 1.400 peak 1758 spectrum 1 weight 0.11000E+01 volume 0.45995E-03 ppm1 8.481 ppm2 0.697 CV 1 ASSI { 1759} (( segid " " and resid 127 and name HN )) ( segid " " and resid 132 and name HG2%) 4.400 2.400 1.600 peak 1759 spectrum 1 weight 0.11000E+01 volume 0.17111E-02 ppm1 8.488 ppm2 0.930 CV 1 ASSI { 1760} (( segid " " and resid 127 and name HN )) (( segid " " and resid 132 and name HB )) 3.100 1.200 1.200 peak 1760 spectrum 1 weight 0.11000E+01 volume 0.45606E-02 ppm1 8.488 ppm2 1.124 CV 1 ASSI { 1771} (( segid " " and resid 106 and name HN )) (( segid " " and resid 103 and name HA )) 3.100 1.200 1.200 peak 1771 spectrum 1 weight 0.11000E+01 volume 0.15957E-02 ppm1 7.864 ppm2 3.962 CV 1 ASSI { 1773} (( segid " " and resid 106 and name HN )) (( segid " " and resid 59 and name HD1 )) 4.700 4.700 1.300 peak 1773 spectrum 1 weight 0.11000E+01 volume 0.52253E-03 ppm1 7.865 ppm2 3.162 CV 1 ASSI { 1774} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB1 )) 1.800 1.800 4.200 peak 1774 spectrum 1 weight 0.11000E+01 volume 0.26043E-02 ppm1 7.864 ppm2 2.457 CV 1 ASSI { 1776} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB1 )) 2.600 0.800 0.800 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.24024E-02 ppm1 7.863 ppm2 2.158 CV 1 ASSI { 1778} (( segid " " and resid 106 and name HN )) (( segid " " and resid 60 and name HG2 )) 3.200 3.200 2.800 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.26601E-02 ppm1 7.865 ppm2 1.856 CV 1 ASSI { 1779} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) 3.000 1.100 1.100 peak 1779 spectrum 1 weight 0.11000E+01 volume 0.19045E-02 ppm1 7.864 ppm2 1.676 CV 1 ASSI { 1781} (( segid " " and resid 106 and name HN )) ( segid " " and resid 103 and name HG2%) 4.000 2.000 2.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.71355E-03 ppm1 7.865 ppm2 0.994 CV 1 ASSI { 1788} (( segid " " and resid 113 and name HN )) (( segid " " and resid 48 and name HN )) 2.900 1.000 1.000 peak 1788 spectrum 1 weight 0.11000E+01 volume 0.21572E-02 ppm1 9.103 ppm2 9.528 CV 1 ASSI { 1791} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) 2.200 0.600 0.600 peak 1791 spectrum 1 weight 0.11000E+01 volume 0.57272E-02 ppm1 9.103 ppm2 5.169 CV 1 ASSI { 1795} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB1 )) 2.400 0.700 0.700 peak 1795 spectrum 1 weight 0.11000E+01 volume 0.31671E-02 ppm1 9.103 ppm2 1.997 CV 1 ASSI { 1796} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.300 1.400 1.400 peak 1796 spectrum 1 weight 0.11000E+01 volume 0.22471E-02 ppm1 9.101 ppm2 1.909 CV 1 ASSI { 1797} (( segid " " and resid 113 and name HN )) ( segid " " and resid 112 and name HB% ) 2.800 1.000 1.000 peak 1797 spectrum 1 weight 0.11000E+01 volume 0.53861E-02 ppm1 9.102 ppm2 1.526 CV 1 ASSI { 1799} (( segid " " and resid 113 and name HN )) ( segid " " and resid 50 and name HD2%) 3.600 1.600 1.600 peak 1799 spectrum 1 weight 0.11000E+01 volume 0.10651E-02 ppm1 9.104 ppm2 0.733 CV 1 ASSI { 1804} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB )) 2.700 0.900 0.900 peak 1804 spectrum 1 weight 0.11000E+01 volume 0.60410E-02 ppm1 8.254 ppm2 1.971 CV 1 ASSI { 1806} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HG1%) 3.200 1.300 1.300 peak 1806 spectrum 1 weight 0.11000E+01 volume 0.28171E-02 ppm1 8.252 ppm2 0.922 CV 1 ASSI { 1807} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HG2%) 3.800 1.800 1.800 peak 1807 spectrum 1 weight 0.11000E+01 volume 0.15525E-02 ppm1 8.253 ppm2 0.791 CV 1 ASSI { 1811} (( segid " " and resid 62 and name HN )) ( segid " " and resid 90 and name HD2%) 3.200 1.300 1.300 peak 1811 spectrum 1 weight 0.11000E+01 volume 0.17349E-02 ppm1 8.251 ppm2 0.755 CV 1 ASSI { 1814} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HB2 )) 4.500 2.500 1.500 peak 1814 spectrum 1 weight 0.11000E+01 volume 0.12374E-02 ppm1 9.141 ppm2 2.467 CV 1 ASSI { 1818} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HA )) 4.100 2.100 1.900 peak 1818 spectrum 1 weight 0.11000E+01 volume 0.92959E-03 ppm1 9.135 ppm2 4.451 CV 1 ASSI { 1819} (( segid " " and resid 145 and name HN )) ( segid " " and resid 144 and name HD1%) 3.100 3.100 2.900 peak 1819 spectrum 1 weight 0.11000E+01 volume 0.25754E-02 ppm1 8.958 ppm2 0.892 CV 1 ASSI { 1823} (( segid " " and resid 145 and name HN )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 1823 spectrum 1 weight 0.11000E+01 volume 0.27984E-02 ppm1 8.958 ppm2 5.586 CV 1 ASSI { 1826} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HN )) 2.600 2.600 3.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.30766E-03 ppm1 8.957 ppm2 9.190 CV 1 ASSI { 1830} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) 2.900 1.100 1.100 peak 1830 spectrum 1 weight 0.11000E+01 volume 0.32572E-02 ppm1 8.816 ppm2 0.791 CV 1 OR { 1830} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 1831} (( segid " " and resid 46 and name HN )) ( segid " " and resid 116 and name HB% ) 4.300 2.300 1.700 peak 1831 spectrum 1 weight 0.11000E+01 volume 0.97352E-03 ppm1 8.814 ppm2 1.101 CV 1 ASSI { 1833} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.200 1.300 1.300 peak 1833 spectrum 1 weight 0.11000E+01 volume 0.33267E-02 ppm1 8.931 ppm2 1.227 CV 1 ASSI { 1837} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HZ2 )) 5.400 3.700 0.600 peak 1837 spectrum 1 weight 0.11000E+01 volume 0.20400E-03 ppm1 9.521 ppm2 7.440 CV 1 ASSI { 1839} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HZ3 )) 3.600 1.600 1.600 peak 1839 spectrum 1 weight 0.11000E+01 volume 0.10760E-02 ppm1 9.520 ppm2 6.999 CV 1 ASSI { 1842} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HE2 )) 5.100 3.300 0.900 peak 1842 spectrum 1 weight 0.11000E+01 volume 0.40707E-03 ppm1 9.519 ppm2 2.338 CV 1 ASSI { 1844} (( segid " " and resid 48 and name HN )) (( segid " " and resid 113 and name HB2 )) 4.700 2.700 1.300 peak 1844 spectrum 1 weight 0.11000E+01 volume 0.68946E-03 ppm1 9.521 ppm2 1.922 CV 1 ASSI { 1845} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.000 2.000 2.000 peak 1845 spectrum 1 weight 0.11000E+01 volume 0.14750E-02 ppm1 9.521 ppm2 1.767 CV 1 OR { 1845} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 1846} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HD2 )) 4.400 2.500 1.600 peak 1846 spectrum 1 weight 0.11000E+01 volume 0.11284E-02 ppm1 9.522 ppm2 1.495 CV 1 ASSI { 1847} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 2.800 1.000 1.000 peak 1847 spectrum 1 weight 0.11000E+01 volume 0.26682E-02 ppm1 9.521 ppm2 1.362 CV 1 OR { 1847} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) ASSI { 1848} (( segid " " and resid 48 and name HN )) ( segid " " and resid 114 and name HG1%) 4.700 2.700 1.300 peak 1848 spectrum 1 weight 0.11000E+01 volume 0.10658E-02 ppm1 9.523 ppm2 0.913 CV 1 ASSI { 1855} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HA )) 4.300 2.300 1.700 peak 1855 spectrum 1 weight 0.11000E+01 volume 0.47861E-03 ppm1 8.481 ppm2 5.602 CV 1 ASSI { 1859} (( segid " " and resid 110 and name HN )) (( segid " " and resid 144 and name HB1 )) 2.500 0.800 0.800 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.42817E-02 ppm1 8.478 ppm2 2.406 CV 1 ASSI { 1862} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.600 1.600 1.600 peak 1862 spectrum 1 weight 0.11000E+01 volume 0.16042E-02 ppm1 8.478 ppm2 1.974 CV 1 ASSI { 1863} (( segid " " and resid 110 and name HN )) ( segid " " and resid 144 and name HD1%) 4.900 3.000 1.100 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.84246E-03 ppm1 8.478 ppm2 0.800 CV 1 ASSI { 1865} (( segid " " and resid 106 and name HN )) ( segid " " and resid 105 and name HD2%) 2.300 2.300 3.700 peak 1865 spectrum 1 weight 0.11000E+01 volume 0.61887E-03 ppm1 7.864 ppm2 0.870 CV 1 ASSI { 1866} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.300 1.400 1.400 peak 1866 spectrum 1 weight 0.11000E+01 volume 0.42241E-02 ppm1 7.773 ppm2 1.974 CV 1 ASSI { 1871} (( segid " " and resid 135 and name HN )) (( segid " " and resid 125 and name HN )) 2.500 2.500 3.500 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.34048E-03 ppm1 7.666 ppm2 8.068 CV 1 ASSI { 1874} (( segid " " and resid 135 and name HN )) (( segid " " and resid 123 and name HA1 )) 3.300 1.400 1.400 peak 1874 spectrum 1 weight 0.11000E+01 volume 0.33528E-03 ppm1 7.661 ppm2 4.133 CV 1 ASSI { 1875} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) 2.100 0.600 0.600 peak 1875 spectrum 1 weight 0.11000E+01 volume 0.64094E-02 ppm1 7.662 ppm2 3.856 CV 1 ASSI { 1876} (( segid " " and resid 135 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.100 0.600 0.600 peak 1876 spectrum 1 weight 0.11000E+01 volume 0.66563E-02 ppm1 7.662 ppm2 3.583 CV 1 OR { 1876} (( segid " " and resid 135 and name HN )) (( segid " " and resid 118 and name HB1 )) ASSI { 1885} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.300 0.700 0.700 peak 1885 spectrum 1 weight 0.11000E+01 volume 0.66951E-02 ppm1 8.416 ppm2 5.605 CV 1 ASSI { 1886} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) 2.700 0.900 0.900 peak 1886 spectrum 1 weight 0.11000E+01 volume 0.23583E-02 ppm1 8.416 ppm2 2.354 CV 1 ASSI { 1887} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HB )) 3.100 3.100 2.900 peak 1887 spectrum 1 weight 0.11000E+01 volume 0.21909E-02 ppm1 8.414 ppm2 1.955 CV 1 ASSI { 1888} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG )) 4.600 2.600 1.400 peak 1888 spectrum 1 weight 0.11000E+01 volume 0.69773E-03 ppm1 8.416 ppm2 1.423 CV 1 ASSI { 1889} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.100 1.200 1.200 peak 1889 spectrum 1 weight 0.11000E+01 volume 0.17048E-02 ppm1 8.414 ppm2 1.305 CV 1 ASSI { 1891} (( segid " " and resid 144 and name HN )) ( segid " " and resid 143 and name HG2%) 3.400 1.500 1.500 peak 1891 spectrum 1 weight 0.11000E+01 volume 0.21142E-02 ppm1 8.417 ppm2 1.033 CV 1 ASSI { 1892} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HD1%) 4.600 2.600 1.400 peak 1892 spectrum 1 weight 0.11000E+01 volume 0.10205E-02 ppm1 8.414 ppm2 0.853 CV 1 OR { 1892} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HD2%) ASSI { 1895} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 1895 spectrum 1 weight 0.11000E+01 volume 0.32395E-02 ppm1 8.310 ppm2 1.889 CV 1 ASSI { 1} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HB1 )) 3.200 1.300 1.300 peak 1 spectrum 1 weight 0.11000E+01 volume 0.65772E-03 ppm1 7.282 ppm2 3.059 CV 1 ASSI { 2} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HB2 )) 3.700 1.700 1.700 peak 2 spectrum 1 weight 0.11000E+01 volume 0.49346E-03 ppm1 7.292 ppm2 2.868 CV 1 ASSI { 5} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HB2 )) 2.900 1.000 1.000 peak 5 spectrum 1 weight 0.11000E+01 volume 0.48800E-03 ppm1 7.206 ppm2 2.866 CV 1 ASSI { 6} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HB1 )) 4.300 2.300 1.700 peak 6 spectrum 1 weight 0.11000E+01 volume 0.22871E-03 ppm1 7.223 ppm2 3.096 CV 1 ASSI { 8} (( segid " " and resid 36 and name HZ2 )) (( segid " " and resid 36 and name HH2 )) 2.200 0.600 0.600 peak 8 spectrum 1 weight 0.11000E+01 volume 0.43033E-02 ppm1 7.446 ppm2 7.014 CV 1 ASSI { 9} (( segid " " and resid 36 and name HZ2 )) (( segid " " and resid 36 and name HD1 )) 4.700 2.800 1.300 peak 9 spectrum 1 weight 0.11000E+01 volume 0.19421E-03 ppm1 7.436 ppm2 7.229 CV 1 OR { 9} (( segid " " and resid 36 and name HZ2 )) (( segid " " and resid 36 and name HE3 )) ASSI { 10} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HZ2 )) 4.300 2.300 1.700 peak 10 spectrum 1 weight 0.11000E+01 volume 0.19174E-03 ppm1 7.190 ppm2 7.461 CV 1 ASSI { 11} (( segid " " and resid 36 and name HZ3 )) (( segid " " and resid 36 and name HH2 )) 1.700 0.400 0.500 peak 11 spectrum 1 weight 0.11000E+01 volume 0.10059E-01 ppm1 7.003 ppm2 7.015 CV 1 OR { 11} (( segid " " and resid 36 and name HH2 )) (( segid " " and resid 36 and name HZ3 )) ASSI { 12} (( segid " " and resid 36 and name HZ3 )) (( segid " " and resid 36 and name HE3 )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.11000E+01 volume 0.69161E-03 ppm1 7.001 ppm2 7.222 CV 1 ASSI { 14} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HZ2 )) 4.700 2.800 1.300 peak 14 spectrum 1 weight 0.11000E+01 volume 0.27834E-03 ppm1 7.284 ppm2 7.479 CV 1 ASSI { 17} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 36 and name HD1 )) 4.300 2.300 1.700 peak 17 spectrum 1 weight 0.11000E+01 volume 0.25064E-03 ppm1 7.224 ppm2 7.308 CV 1 ASSI { 19} ( segid " " and resid 120 and name HD% ) ( segid " " and resid 120 and name HE% ) 1.800 0.400 0.400 peak 19 spectrum 1 weight 0.11000E+01 volume 0.87625E-02 ppm1 6.911 ppm2 6.704 CV 1 ASSI { 24} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 120 and name HB1 )) 4.100 2.100 1.900 peak 24 spectrum 1 weight 0.11000E+01 volume 0.42333E-03 ppm1 6.687 ppm2 3.273 CV 1 ASSI { 28} ( segid " " and resid 122 and name HD% ) ( segid " " and resid 122 and name HE% ) 2.200 0.600 0.600 peak 28 spectrum 1 weight 0.11000E+01 volume 0.41854E-02 ppm1 7.089 ppm2 6.631 CV 1 ASSI { 29} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 122 and name HA )) 3.100 1.200 1.200 peak 29 spectrum 1 weight 0.11000E+01 volume 0.10239E-02 ppm1 7.089 ppm2 4.519 CV 1 ASSI { 34} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 122 and name HB2 )) 4.600 2.600 1.400 peak 34 spectrum 1 weight 0.11000E+01 volume 0.30462E-03 ppm1 6.606 ppm2 2.694 CV 1 ASSI { 36} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 122 and name HA )) 4.700 2.800 1.300 peak 36 spectrum 1 weight 0.11000E+01 volume 0.21466E-03 ppm1 6.593 ppm2 4.514 CV 1 ASSI { 38} ( segid " " and resid 131 and name HD% ) ( segid " " and resid 131 and name HE% ) 2.000 0.500 0.500 peak 38 spectrum 1 weight 0.11000E+01 volume 0.89292E-02 ppm1 7.176 ppm2 6.796 CV 1 ASSI { 44} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 131 and name HA )) 4.800 2.800 1.200 peak 44 spectrum 1 weight 0.11000E+01 volume 0.26992E-03 ppm1 6.802 ppm2 4.389 CV 1 ASSI { 49} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HB2 )) 3.900 1.900 1.900 peak 49 spectrum 1 weight 0.11000E+01 volume 0.26503E-03 ppm1 6.911 ppm2 3.086 CV 1 ASSI { 50} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HB1 )) 3.600 1.600 1.600 peak 50 spectrum 1 weight 0.11000E+01 volume 0.16995E-03 ppm1 6.918 ppm2 3.194 CV 1 ASSI { 53} (( segid " " and resid 69 and name HE1 )) (( segid " " and resid 69 and name HD2 )) 3.900 1.900 1.900 peak 53 spectrum 1 weight 0.11000E+01 volume 0.51631E-03 ppm1 7.782 ppm2 6.942 CV 1 ASSI { 56} ( segid " " and resid 88 and name HD% ) ( segid " " and resid 88 and name HE% ) 1.900 0.500 0.500 peak 56 spectrum 1 weight 0.11000E+01 volume 0.59935E-02 ppm1 6.958 ppm2 7.177 CV 1 ASSI { 58} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 88 and name HB2 )) 2.400 0.700 0.700 peak 58 spectrum 1 weight 0.11000E+01 volume 0.22787E-02 ppm1 6.952 ppm2 3.140 CV 1 OR { 58} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 88 and name HB1 )) ASSI { 61} ( segid " " and resid 88 and name HE% ) (( segid " " and resid 88 and name HA )) 5.200 3.400 0.800 peak 61 spectrum 1 weight 0.11000E+01 volume 0.15424E-03 ppm1 7.145 ppm2 4.970 CV 1 ASSI { 62} ( segid " " and resid 88 and name HE% ) (( segid " " and resid 88 and name HB2 )) 4.200 2.200 1.800 peak 62 spectrum 1 weight 0.11000E+01 volume 0.41559E-03 ppm1 7.166 ppm2 3.160 CV 1 OR { 62} ( segid " " and resid 88 and name HE% ) (( segid " " and resid 88 and name HB1 )) ASSI { 63} ( segid " " and resid 88 and name HE% ) (( segid " " and resid 88 and name HZ )) 2.100 0.500 0.500 peak 63 spectrum 1 weight 0.11000E+01 volume 0.23584E-02 ppm1 7.164 ppm2 6.849 CV 1 ASSI { 67} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 88 and name HZ )) 3.300 1.400 1.400 peak 67 spectrum 1 weight 0.11000E+01 volume 0.94943E-03 ppm1 6.954 ppm2 6.849 CV 1 ASSI { 68} (( segid " " and resid 88 and name HZ )) (( segid " " and resid 88 and name HB2 )) 5.200 3.400 0.800 peak 68 spectrum 1 weight 0.11000E+01 volume 0.78904E-04 ppm1 6.818 ppm2 3.131 CV 1 OR { 68} (( segid " " and resid 88 and name HZ )) (( segid " " and resid 88 and name HB1 )) ASSI { 71} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HB2 )) 3.700 1.700 1.700 peak 71 spectrum 1 weight 0.11000E+01 volume 0.29239E-03 ppm1 7.247 ppm2 3.054 CV 1 ASSI { 72} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HB1 )) 3.500 1.600 1.600 peak 72 spectrum 1 weight 0.11000E+01 volume 0.37429E-03 ppm1 7.232 ppm2 3.180 CV 1 ASSI { 73} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HA )) 4.700 4.700 1.300 peak 73 spectrum 1 weight 0.11000E+01 volume 0.14156E-03 ppm1 7.283 ppm2 4.597 CV 1 ASSI { 74} ( segid " " and resid 19 and name HD% ) ( segid " " and resid 19 and name HE% ) 2.000 0.500 0.500 peak 74 spectrum 1 weight 0.11000E+01 volume 0.11473E-01 ppm1 7.238 ppm2 7.354 CV 1 ASSI { 76} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HZ )) 5.000 3.100 1.000 peak 76 spectrum 1 weight 0.11000E+01 volume 0.19621E-03 ppm1 7.236 ppm2 7.566 CV 1 ASSI { 82} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 44 and name HG )) 3.000 1.200 1.200 peak 82 spectrum 1 weight 0.11000E+01 volume 0.52357E-03 ppm1 6.693 ppm2 1.577 CV 1 ASSI { 84} ( segid " " and resid 120 and name HE% ) ( segid " " and resid 44 and name HD1%) 3.100 1.200 1.200 peak 84 spectrum 1 weight 0.11000E+01 volume 0.18837E-02 ppm1 6.683 ppm2 0.942 CV 1 ASSI { 88} ( segid " " and resid 120 and name HD% ) (( segid " " and resid 44 and name HB2 )) 3.700 1.700 1.700 peak 88 spectrum 1 weight 0.11000E+01 volume 0.33911E-03 ppm1 6.899 ppm2 1.692 CV 1 ASSI { 89} ( segid " " and resid 120 and name HD% ) ( segid " " and resid 44 and name HD1%) 4.500 2.600 1.500 peak 89 spectrum 1 weight 0.11000E+01 volume 0.42253E-03 ppm1 6.924 ppm2 0.937 CV 1 ASSI { 92} ( segid " " and resid 88 and name HE% ) ( segid " " and resid 90 and name HD2%) 3.900 1.900 1.900 peak 92 spectrum 1 weight 0.11000E+01 volume 0.95187E-03 ppm1 7.170 ppm2 0.758 CV 1 ASSI { 97} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 86 and name HB1 )) 4.400 2.400 1.600 peak 97 spectrum 1 weight 0.11000E+01 volume 0.77993E-04 ppm1 6.974 ppm2 2.074 CV 1 ASSI { 100} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 90 and name HA )) 2.900 1.100 1.100 peak 100 spectrum 1 weight 0.11000E+01 volume 0.77178E-03 ppm1 6.957 ppm2 4.350 CV 1 ASSI { 101} ( segid " " and resid 88 and name HD% ) ( segid " " and resid 90 and name HD1%) 3.900 1.900 1.900 peak 101 spectrum 1 weight 0.11000E+01 volume 0.62357E-03 ppm1 6.961 ppm2 1.079 CV 1 ASSI { 102} ( segid " " and resid 88 and name HD% ) ( segid " " and resid 99 and name HD2%) 3.600 1.600 1.600 peak 102 spectrum 1 weight 0.11000E+01 volume 0.80126E-03 ppm1 6.946 ppm2 0.770 CV 1 ASSI { 104} ( segid " " and resid 88 and name HE% ) ( segid " " and resid 90 and name HD1%) 2.400 0.700 0.700 peak 104 spectrum 1 weight 0.11000E+01 volume 0.14639E-02 ppm1 7.167 ppm2 1.074 CV 1 ASSI { 105} (( segid " " and resid 88 and name HZ )) ( segid " " and resid 90 and name HD1%) 3.000 1.200 1.200 peak 105 spectrum 1 weight 0.11000E+01 volume 0.54792E-03 ppm1 6.843 ppm2 1.044 CV 1 ASSI { 107} (( segid " " and resid 88 and name HZ )) (( segid " " and resid 99 and name HB2 )) 3.800 1.800 1.800 peak 107 spectrum 1 weight 0.11000E+01 volume 0.16026E-02 ppm1 6.840 ppm2 1.306 CV 1 ASSI { 113} (( segid " " and resid 36 and name HH2 )) ( segid " " and resid 115 and name HG2%) 3.800 1.800 1.800 peak 113 spectrum 1 weight 0.11000E+01 volume 0.10896E-02 ppm1 7.003 ppm2 1.123 CV 1 OR { 113} (( segid " " and resid 36 and name HZ3 )) ( segid " " and resid 115 and name HG2%) ASSI { 114} (( segid " " and resid 36 and name HZ2 )) ( segid " " and resid 115 and name HG2%) 4.300 2.300 1.700 peak 114 spectrum 1 weight 0.11000E+01 volume 0.43392E-03 ppm1 7.448 ppm2 1.123 CV 1 ASSI { 115} (( segid " " and resid 36 and name HZ2 )) (( segid " " and resid 115 and name HB )) 4.600 2.600 1.400 peak 115 spectrum 1 weight 0.11000E+01 volume 0.19876E-03 ppm1 7.451 ppm2 4.128 CV 1 ASSI { 121} ( segid " " and resid 122 and name HE% ) ( segid " " and resid 96 and name HG2%) 3.000 1.100 1.100 peak 121 spectrum 1 weight 0.11000E+01 volume 0.81204E-03 ppm1 6.610 ppm2 0.274 CV 1 ASSI { 122} ( segid " " and resid 122 and name HD% ) ( segid " " and resid 96 and name HD1%) 4.700 2.800 1.300 peak 122 spectrum 1 weight 0.11000E+01 volume 0.18324E-03 ppm1 7.100 ppm2 0.749 CV 1 ASSI { 123} ( segid " " and resid 122 and name HD% ) ( segid " " and resid 96 and name HG2%) 3.800 1.800 1.800 peak 123 spectrum 1 weight 0.11000E+01 volume 0.29569E-03 ppm1 7.126 ppm2 0.271 CV 1 ASSI { 125} ( segid " " and resid 122 and name HE% ) ( segid " " and resid 132 and name HD1%) 3.200 1.300 1.300 peak 125 spectrum 1 weight 0.11000E+01 volume 0.12107E-02 ppm1 6.616 ppm2 0.448 CV 1 ASSI { 127} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 132 and name HG11)) 3.100 1.200 1.200 peak 127 spectrum 1 weight 0.11000E+01 volume 0.18141E-02 ppm1 6.621 ppm2 1.026 CV 1 ASSI { 128} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 132 and name HB )) 4.800 2.900 1.200 peak 128 spectrum 1 weight 0.11000E+01 volume 0.22073E-03 ppm1 6.597 ppm2 1.171 CV 1 ASSI { 129} ( segid " " and resid 122 and name HD% ) ( segid " " and resid 132 and name HD1%) 3.000 1.100 1.100 peak 129 spectrum 1 weight 0.11000E+01 volume 0.72491E-03 ppm1 7.084 ppm2 0.449 CV 1 ASSI { 131} ( segid " " and resid 122 and name HD% ) ( segid " " and resid 132 and name HG2%) 3.300 1.400 1.400 peak 131 spectrum 1 weight 0.11000E+01 volume 0.83080E-03 ppm1 7.092 ppm2 0.934 CV 1 ASSI { 132} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 132 and name HG11)) 2.900 1.100 1.100 peak 132 spectrum 1 weight 0.11000E+01 volume 0.12584E-02 ppm1 7.088 ppm2 1.024 CV 1 ASSI { 134} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 34 and name HB2 )) 4.100 4.100 1.900 peak 134 spectrum 1 weight 0.11000E+01 volume 0.25265E-03 ppm1 7.279 ppm2 1.982 CV 1 ASSI { 153} (( segid " " and resid 36 and name HH2 )) (( segid " " and resid 113 and name HG2 )) 3.000 1.100 1.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.36496E-03 ppm1 7.006 ppm2 2.534 CV 1 OR { 153} (( segid " " and resid 36 and name HH2 )) (( segid " " and resid 113 and name HG2 )) ASSI { 155} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 46 and name HB1 )) 2.800 1.000 1.000 peak 155 spectrum 1 weight 0.11000E+01 volume 0.52133E-03 ppm1 7.217 ppm2 1.808 CV 1 OR { 155} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 46 and name HB2 )) ASSI { 156} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 114 and name HA )) 4.000 2.000 2.000 peak 156 spectrum 1 weight 0.11000E+01 volume 0.20639E-03 ppm1 7.212 ppm2 5.604 CV 1 ASSI { 159} ( segid " " and resid 88 and name HD% ) ( segid " " and resid 66 and name HG2%) 3.400 1.400 1.400 peak 159 spectrum 1 weight 0.11000E+01 volume 0.60531E-03 ppm1 6.958 ppm2 0.032 CV 1 ASSI { 161} ( segid " " and resid 88 and name HD% ) ( segid " " and resid 95 and name HG1%) 3.200 1.300 1.300 peak 161 spectrum 1 weight 0.11000E+01 volume 0.67078E-03 ppm1 6.952 ppm2 0.315 CV 1 ASSI { 164} ( segid " " and resid 88 and name HE% ) ( segid " " and resid 66 and name HG2%) 2.800 1.000 1.000 peak 164 spectrum 1 weight 0.11000E+01 volume 0.72870E-03 ppm1 7.164 ppm2 0.023 CV 1 ASSI { 167} (( segid " " and resid 88 and name HZ )) ( segid " " and resid 66 and name HG2%) 3.100 1.200 1.200 peak 167 spectrum 1 weight 0.11000E+01 volume 0.62015E-03 ppm1 6.845 ppm2 0.022 CV 1 ASSI { 169} (( segid " " and resid 88 and name HZ )) (( segid " " and resid 103 and name HB )) 3.900 1.900 1.900 peak 169 spectrum 1 weight 0.11000E+01 volume 0.23595E-03 ppm1 6.840 ppm2 2.297 CV 1 ASSI { 175} ( segid " " and resid 120 and name HD% ) (( segid " " and resid 117 and name HB1 )) 3.700 1.700 1.700 peak 175 spectrum 1 weight 0.11000E+01 volume 0.39555E-03 ppm1 6.915 ppm2 2.967 CV 1 ASSI { 178} ( segid " " and resid 120 and name HD% ) (( segid " " and resid 42 and name HD21)) 2.900 2.900 3.100 peak 178 spectrum 1 weight 0.10000E+01 volume 0.55374E-04 ppm1 6.909 ppm2 6.460 CV 1 ASSI { 183} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 117 and name HB1 )) 4.700 2.700 1.300 peak 183 spectrum 1 weight 0.11000E+01 volume 0.27607E-03 ppm1 6.691 ppm2 2.987 CV 1 ASSI { 187} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 116 and name HA )) 2.300 2.300 3.700 peak 187 spectrum 1 weight 0.11000E+01 volume 0.23193E-03 ppm1 6.694 ppm2 5.353 CV 1 ASSI { 190} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 81 and name HG2 )) 2.600 2.600 3.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.10467E-03 ppm1 7.062 ppm2 2.197 CV 1 ASSI { 196} ( segid " " and resid 122 and name HD% ) (( segid " " and resid 125 and name HE21)) 4.900 3.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.12942E-03 ppm1 7.068 ppm2 7.517 CV 1 ASSI { 206} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 130 and name HB2 )) 4.600 2.600 1.400 peak 206 spectrum 1 weight 0.11000E+01 volume 0.11856E-03 ppm1 7.193 ppm2 1.771 CV 1 ASSI { 214} ( segid " " and resid 131 and name HE% ) (( segid " " and resid 134 and name HB2 )) 4.500 2.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.48340E-03 ppm1 6.780 ppm2 2.007 CV 1 ASSI { 224} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 145 and name HD1 )) 6.000 4.900 0.000 peak 224 spectrum 1 weight 0.11000E+01 volume 0.55942E-04 ppm1 6.907 ppm2 1.770 CV 1 ASSI { 226} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 71 and name HB2 )) 4.700 2.700 1.300 peak 226 spectrum 1 weight 0.11000E+01 volume 0.37532E-03 ppm1 6.911 ppm2 2.086 CV 1 OR { 226} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 71 and name HB1 )) ASSI { 227} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 71 and name HG2 )) 4.600 2.700 1.400 peak 227 spectrum 1 weight 0.11000E+01 volume 0.45278E-03 ppm1 6.906 ppm2 2.201 CV 1 ASSI { 230} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 71 and name HA )) 4.600 2.700 1.400 peak 230 spectrum 1 weight 0.11000E+01 volume 0.21610E-03 ppm1 6.904 ppm2 5.057 CV 1 ASSI { 244} (( segid " " and resid 69 and name HE1 )) (( segid " " and resid 71 and name HG2 )) 4.800 2.900 1.200 peak 244 spectrum 1 weight 0.11000E+01 volume 0.24932E-03 ppm1 7.786 ppm2 2.205 CV 1 ASSI { 245} (( segid " " and resid 69 and name HE1 )) (( segid " " and resid 71 and name HB1 )) 4.900 3.000 1.100 peak 245 spectrum 1 weight 0.11000E+01 volume 0.47950E-03 ppm1 7.776 ppm2 2.096 CV 1 OR { 245} (( segid " " and resid 69 and name HE1 )) (( segid " " and resid 71 and name HB2 )) ASSI { 247} (( segid " " and resid 69 and name HE1 )) (( segid " " and resid 84 and name HB2 )) 4.500 2.600 1.500 peak 247 spectrum 1 weight 0.11000E+01 volume 0.36196E-03 ppm1 7.783 ppm2 1.873 CV 1 ASSI { 251} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 97 and name HB1 )) 4.300 2.300 1.700 peak 251 spectrum 1 weight 0.11000E+01 volume 0.15523E-03 ppm1 6.689 ppm2 2.263 CV 1 OR { 251} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 97 and name HB2 )) ASSI { 256} ( segid " " and resid 120 and name HD% ) (( segid " " and resid 99 and name HN )) 2.100 2.100 3.900 peak 256 spectrum 1 weight 0.11000E+01 volume 0.39729E-03 ppm1 6.923 ppm2 7.259 CV 1 ASSI { 259} (( segid " " and resid 36 and name HZ3 )) (( segid " " and resid 47 and name HA )) 4.600 4.600 1.400 peak 259 spectrum 1 weight 0.11000E+01 volume 0.12858E-03 ppm1 7.018 ppm2 5.947 CV 1 ASSI { 1} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 4.261 ppm2 4.754 CV 1 ASSI { 1} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.600 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.37252E-02 ppm1 4.282 ppm2 2.064 CV 1 ASSI { 2} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.36106E-02 ppm1 4.275 ppm2 1.946 CV 1 ASSI { 7} (( segid " " and resid 108 and name HB )) (( segid " " and resid 57 and name HB1 )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 2.038 ppm2 3.991 CV 1 OR { 7} (( segid " " and resid 108 and name HB )) (( segid " " and resid 57 and name HB2 )) ASSI { 9} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HG2 )) 3.100 1.200 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.28846E-02 ppm1 2.067 ppm2 2.262 CV 1 ASSI { 11} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.34959E-02 ppm1 2.254 ppm2 4.290 CV 1 ASSI { 12} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 75 and name HA )) 3.300 1.300 1.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.37633E-02 ppm1 2.249 ppm2 3.995 CV 1 OR { 12} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 75 and name HA )) ASSI { 13} (( segid " " and resid 75 and name HG1 )) ( segid " " and resid 137 and name HB% ) 3.700 1.700 1.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 2.263 ppm2 1.464 CV 1 OR { 13} (( segid " " and resid 75 and name HG2 )) ( segid " " and resid 137 and name HB% ) ASSI { 16} (( segid " " and resid 36 and name HA )) ( segid " " and resid 37 and name HD1%) 3.200 3.200 2.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.56355E-02 ppm1 4.770 ppm2 1.017 CV 1 ASSI { 17} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.600 1.600 1.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.30947E-02 ppm1 3.005 ppm2 4.557 CV 1 ASSI { 20} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HA )) 2.500 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.40881E-02 ppm1 3.010 ppm2 4.715 CV 1 ASSI { 23} (( segid " " and resid 37 and name HG )) ( segid " " and resid 37 and name HD1%) 2.700 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.33431E-02 ppm1 1.494 ppm2 0.967 CV 1 ASSI { 26} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 0.970 ppm2 3.472 CV 1 ASSI { 29} (( segid " " and resid 107 and name HA )) (( segid " " and resid 106 and name HA )) 2.800 2.800 3.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.47758E-02 ppm1 4.766 ppm2 4.424 CV 1 ASSI { 30} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG )) 2.800 1.000 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.51961E-02 ppm1 4.616 ppm2 1.386 CV 1 ASSI { 31} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.52725E-02 ppm1 4.612 ppm2 1.597 CV 1 ASSI { 32} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HB1 )) 2.000 0.500 0.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.40881E-02 ppm1 1.610 ppm2 1.839 CV 1 ASSI { 33} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HA )) 2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 1.595 ppm2 4.171 CV 1 OR { 33} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HA )) ASSI { 34} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) 2.700 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 1.593 ppm2 4.309 CV 1 OR { 34} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HA )) ASSI { 35} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 149 and name HA )) 3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 1.594 ppm2 4.841 CV 1 OR { 35} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 149 and name HA )) ASSI { 36} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HG )) 2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 1.615 ppm2 1.384 CV 1 ASSI { 37} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD2%) 3.000 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 1.611 ppm2 0.593 CV 1 ASSI { 39} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HG )) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.34959E-02 ppm1 1.847 ppm2 1.387 CV 1 ASSI { 40} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name HD2%) 2.800 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 1.827 ppm2 0.593 CV 1 ASSI { 41} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HA )) 2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.52343E-02 ppm1 1.819 ppm2 4.603 CV 1 ASSI { 42} (( segid " " and resid 40 and name HG )) ( segid " " and resid 45 and name HD1%) 3.300 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 1.374 ppm2 0.782 CV 1 ASSI { 46} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 86 and name HG )) 3.600 3.600 2.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.31329E-02 ppm1 0.779 ppm2 1.599 CV 1 ASSI { 47} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 68 and name HB )) 3.300 3.300 2.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 0.789 ppm2 2.184 CV 1 ASSI { 48} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 81 and name HA )) 3.300 3.300 2.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.42027E-02 ppm1 0.791 ppm2 4.681 CV 1 ASSI { 50} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 0.796 ppm2 5.377 CV 1 ASSI { 56} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 41 and name HA2 )) 2.100 0.600 0.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 4.143 ppm2 3.593 CV 1 ASSI { 58} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB1 )) 2.500 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.50241E-02 ppm1 4.879 ppm2 3.297 CV 1 ASSI { 61} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.300 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.63041E-02 ppm1 4.869 ppm2 7.072 CV 1 ASSI { 63} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HD22)) 3.400 1.500 1.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.60558E-02 ppm1 4.886 ppm2 7.860 CV 1 ASSI { 64} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HB1 )) 2.100 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 2.765 ppm2 3.300 CV 1 ASSI { 65} (( segid " " and resid 43 and name HA1 )) (( segid " " and resid 43 and name HA2 )) 2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.39543E-02 ppm1 4.047 ppm2 3.489 CV 1 ASSI { 66} (( segid " " and resid 43 and name HA1 )) (( segid " " and resid 46 and name HD1 )) 3.100 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.61321E-02 ppm1 4.059 ppm2 2.763 CV 1 ASSI { 70} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HD1%) 3.100 1.200 1.200 peak 70 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 4.378 ppm2 0.951 CV 1 ASSI { 72} (( segid " " and resid 44 and name HA )) ( segid " " and resid 116 and name HB% ) 3.400 3.400 2.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 4.357 ppm2 1.062 CV 1 ASSI { 74} (( segid " " and resid 90 and name HA )) ( segid " " and resid 88 and name HE% ) 2.200 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.49669E-02 ppm1 4.360 ppm2 7.178 CV 1 ASSI { 75} ( segid " " and resid 44 and name HD1%) ( segid " " and resid 44 and name HD2%) 2.800 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.27318E-02 ppm1 0.967 ppm2 0.848 CV 1 ASSI { 82} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HA )) 2.600 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.34577E-02 ppm1 0.795 ppm2 5.223 CV 1 ASSI { 85} (( segid " " and resid 45 and name HA )) (( segid " " and resid 116 and name HA )) 2.100 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 5.224 ppm2 5.356 CV 1 ASSI { 86} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.600 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 5.221 ppm2 1.702 CV 1 ASSI { 88} (( segid " " and resid 45 and name HA )) ( segid " " and resid 116 and name HB% ) 2.900 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 5.223 ppm2 1.115 CV 1 ASSI { 90} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD2%) 3.000 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.50815E-02 ppm1 5.225 ppm2 0.519 CV 1 ASSI { 91} (( segid " " and resid 45 and name HG )) ( segid " " and resid 45 and name HD1%) 2.400 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.33622E-02 ppm1 1.287 ppm2 0.795 CV 1 ASSI { 92} (( segid " " and resid 45 and name HG )) ( segid " " and resid 45 and name HD2%) 2.400 0.700 0.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 1.275 ppm2 0.519 CV 1 ASSI { 93} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 116 and name HB% ) 2.800 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.30183E-02 ppm1 0.788 ppm2 1.108 CV 1 ASSI { 98} (( segid " " and resid 46 and name HA )) (( segid " " and resid 36 and name HE3 )) 3.000 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 5.943 ppm2 7.227 CV 1 ASSI { 99} (( segid " " and resid 46 and name HA )) (( segid " " and resid 114 and name HA )) 3.200 3.200 2.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.36487E-02 ppm1 5.944 ppm2 5.619 CV 1 ASSI { 101} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HD1 )) 3.400 1.500 1.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.52916E-02 ppm1 5.931 ppm2 2.784 CV 1 ASSI { 104} (( segid " " and resid 46 and name HA )) ( segid " " and resid 114 and name HG2%) 3.400 3.400 2.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 5.941 ppm2 0.868 CV 1 ASSI { 107} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HA )) 2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.45466E-02 ppm1 1.800 ppm2 5.937 CV 1 ASSI { 108} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 36 and name HE3 )) 2.100 0.600 0.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 1.799 ppm2 7.231 CV 1 ASSI { 109} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) 2.700 0.900 0.900 peak 109 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 1.807 ppm2 1.321 CV 1 ASSI { 112} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 15 and name HD2%) 1.600 1.600 4.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 1.277 ppm2 0.424 CV 1 ASSI { 113} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HB1 )) 2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 1.351 ppm2 1.815 CV 1 ASSI { 114} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HD1 )) 2.400 0.700 0.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 1.342 ppm2 2.785 CV 1 ASSI { 115} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 38 and name HA )) 2.100 0.500 0.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 1.347 ppm2 4.781 CV 1 OR { 115} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 38 and name HA )) ASSI { 116} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.40117E-02 ppm1 1.340 ppm2 5.938 CV 1 ASSI { 117} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 45 and name HD1%) 3.200 3.200 2.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.31902E-02 ppm1 1.373 ppm2 0.784 CV 1 ASSI { 118} (( segid " " and resid 40 and name HG )) ( segid " " and resid 40 and name HD2%) 2.600 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 1.363 ppm2 0.594 CV 1 ASSI { 121} (( segid " " and resid 99 and name HG )) ( segid " " and resid 95 and name HG2%) 2.300 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 1.373 ppm2 0.093 CV 1 ASSI { 122} (( segid " " and resid 47 and name HA )) (( segid " " and resid 36 and name HH2 )) 3.500 3.500 2.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 5.944 ppm2 7.016 CV 1 ASSI { 123} (( segid " " and resid 47 and name HA )) (( segid " " and resid 36 and name HE3 )) 2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 5.944 ppm2 7.226 CV 1 ASSI { 124} (( segid " " and resid 47 and name HA )) (( segid " " and resid 114 and name HA )) 2.100 0.600 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.41645E-02 ppm1 5.944 ppm2 5.620 CV 1 ASSI { 125} (( segid " " and resid 46 and name HA )) (( segid " " and resid 38 and name HA )) 2.500 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.56928E-02 ppm1 5.939 ppm2 4.782 CV 1 ASSI { 126} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.600 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 5.941 ppm2 1.792 CV 1 ASSI { 127} (( segid " " and resid 47 and name HA )) ( segid " " and resid 112 and name HB% ) 3.100 1.200 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.56164E-02 ppm1 5.938 ppm2 1.534 CV 1 ASSI { 128} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) 2.200 0.600 0.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.59794E-02 ppm1 5.940 ppm2 1.378 CV 1 ASSI { 129} (( segid " " and resid 47 and name HA )) ( segid " " and resid 114 and name HG2%) 2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 5.944 ppm2 0.876 CV 1 ASSI { 131} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 114 and name HA )) 3.500 1.500 1.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.50815E-02 ppm1 1.790 ppm2 5.619 CV 1 ASSI { 133} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 105 and name HG )) 3.300 3.300 2.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 1.794 ppm2 1.647 CV 1 ASSI { 135} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) 2.400 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.38588E-02 ppm1 1.791 ppm2 1.390 CV 1 ASSI { 136} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 37 and name HD2%) 2.700 2.700 3.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.47758E-02 ppm1 1.781 ppm2 0.943 CV 1 ASSI { 137} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 39 and name HD1%) 2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 1.786 ppm2 0.764 CV 1 OR { 137} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 39 and name HD1%) ASSI { 138} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.33431E-02 ppm1 1.398 ppm2 1.778 CV 1 ASSI { 139} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HE2 )) 2.600 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 1.386 ppm2 2.583 CV 1 OR { 139} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HE1 )) OR { 139} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HE2 )) OR { 139} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HE1 )) ASSI { 141} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 114 and name HA )) 3.100 1.200 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 1.399 ppm2 5.612 CV 1 OR { 141} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 114 and name HA )) ASSI { 142} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 88 and name HB2 )) 3.700 1.700 1.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.44320E-02 ppm1 2.714 ppm2 3.152 CV 1 OR { 142} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 88 and name HB1 )) ASSI { 144} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HA )) 2.600 0.800 0.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 2.710 ppm2 4.849 CV 1 ASSI { 145} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 88 and name HD% ) 3.500 1.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.50051E-02 ppm1 2.717 ppm2 6.965 CV 1 ASSI { 146} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 95 and name HG1%) 3.700 1.700 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.50432E-02 ppm1 2.720 ppm2 0.324 CV 1 ASSI { 147} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 95 and name HG2%) 3.300 1.400 1.400 peak 147 spectrum 1 weight 0.10000E+01 volume 0.53871E-02 ppm1 2.721 ppm2 0.092 CV 1 ASSI { 148} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 88 and name HB2 )) 2.200 0.600 0.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.49286E-02 ppm1 2.812 ppm2 3.126 CV 1 OR { 148} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 88 and name HB1 )) ASSI { 149} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 88 and name HD% ) 2.500 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 2.797 ppm2 6.966 CV 1 ASSI { 150} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 95 and name HG1%) 2.800 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.48713E-02 ppm1 2.812 ppm2 0.326 CV 1 ASSI { 151} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 95 and name HG2%) 2.600 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.56355E-02 ppm1 2.807 ppm2 0.091 CV 1 ASSI { 152} (( segid " " and resid 48 and name HE2 )) (( segid " " and resid 113 and name HG2 )) 2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.33240E-02 ppm1 2.308 ppm2 2.473 CV 1 ASSI { 153} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HB1 )) 2.000 0.500 0.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.39543E-02 ppm1 2.310 ppm2 2.578 CV 1 ASSI { 156} (( segid " " and resid 49 and name HA )) (( segid " " and resid 112 and name HA )) 2.600 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 3.978 ppm2 5.190 CV 1 ASSI { 157} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB )) 2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 3.988 ppm2 3.799 CV 1 ASSI { 158} (( segid " " and resid 49 and name HA )) ( segid " " and resid 112 and name HB% ) 2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.45848E-02 ppm1 3.975 ppm2 1.542 CV 1 ASSI { 159} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HG2%) 2.500 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 3.976 ppm2 1.049 CV 1 ASSI { 160} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB1 )) 2.600 0.900 0.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.49860E-02 ppm1 4.448 ppm2 2.095 CV 1 ASSI { 162} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HG )) 3.400 1.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.43365E-02 ppm1 4.436 ppm2 1.571 CV 1 ASSI { 168} (( segid " " and resid 50 and name HB1 )) ( segid " " and resid 111 and name HG2%) 3.900 1.900 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 1.576 ppm2 1.180 CV 1 ASSI { 169} (( segid " " and resid 50 and name HB1 )) ( segid " " and resid 50 and name HD1%) 3.000 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.28846E-02 ppm1 1.596 ppm2 0.860 CV 1 ASSI { 172} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 113 and name HB2 )) 2.600 0.900 0.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.35150E-02 ppm1 0.830 ppm2 1.936 CV 1 ASSI { 173} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 51 and name HB )) 3.500 1.600 1.600 peak 173 spectrum 1 weight 0.10000E+01 volume 0.35150E-02 ppm1 0.832 ppm2 2.027 CV 1 ASSI { 175} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB )) 2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.43746E-02 ppm1 4.513 ppm2 4.058 CV 1 ASSI { 176} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HD1 )) 2.200 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.48713E-02 ppm1 4.507 ppm2 3.784 CV 1 ASSI { 177} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HD2 )) 3.100 1.200 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 4.499 ppm2 3.633 CV 1 ASSI { 179} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HG1%) 2.600 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 4.524 ppm2 1.110 CV 1 ASSI { 185} (( segid " " and resid 52 and name HA )) ( segid " " and resid 49 and name HG2%) 2.800 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 4.388 ppm2 1.051 CV 1 ASSI { 186} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG1%) 2.700 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.40690E-02 ppm1 4.398 ppm2 0.908 CV 1 ASSI { 187} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG2%) 3.100 1.200 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.40881E-02 ppm1 4.400 ppm2 0.827 CV 1 ASSI { 188} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 69 and name HB2 )) 3.200 3.200 2.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 2.281 ppm2 3.118 CV 1 ASSI { 189} (( segid " " and resid 106 and name HG1 )) (( segid " " and resid 108 and name HA )) 3.000 3.000 3.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.36106E-02 ppm1 2.294 ppm2 3.317 CV 1 ASSI { 191} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 69 and name HE1 )) 2.700 0.900 0.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 2.297 ppm2 7.747 CV 1 ASSI { 193} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HG2 )) 2.900 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.51579E-02 ppm1 2.285 ppm2 1.711 CV 1 ASSI { 194} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 110 and name HA )) 3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.46230E-02 ppm1 3.989 ppm2 4.659 CV 1 ASSI { 195} (( segid " " and resid 53 and name HA1 )) (( segid " " and resid 53 and name HA2 )) 2.100 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.42218E-02 ppm1 4.023 ppm2 3.423 CV 1 ASSI { 199} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 4.405 ppm2 2.323 CV 1 ASSI { 200} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.900 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 4.396 ppm2 2.117 CV 1 ASSI { 202} (( segid " " and resid 106 and name HG1 )) (( segid " " and resid 47 and name HD2 )) 3.200 3.200 2.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.46612E-02 ppm1 2.310 ppm2 1.393 CV 1 OR { 202} (( segid " " and resid 106 and name HG1 )) (( segid " " and resid 47 and name HG2 )) ASSI { 204} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 142 and name HA )) 3.000 3.000 3.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 2.040 ppm2 5.060 CV 1 ASSI { 205} (( segid " " and resid 56 and name HA1 )) (( segid " " and resid 56 and name HA2 )) 2.400 0.700 0.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 4.174 ppm2 3.744 CV 1 ASSI { 207} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HA )) 2.500 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 4.039 ppm2 4.355 CV 1 ASSI { 208} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HA )) 3.400 3.400 2.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 4.047 ppm2 4.751 CV 1 ASSI { 209} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 107 and name HB1 )) 2.100 0.500 0.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.50624E-02 ppm1 4.034 ppm2 2.574 CV 1 OR { 209} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 107 and name HB1 )) ASSI { 210} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 108 and name HG1%) 2.700 0.900 0.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.50624E-02 ppm1 4.056 ppm2 0.974 CV 1 ASSI { 211} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 107 and name HB2 )) 3.800 1.800 1.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.53871E-02 ppm1 4.054 ppm2 2.289 CV 1 ASSI { 212} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HA )) 2.900 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 3.967 ppm2 4.355 CV 1 ASSI { 213} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 107 and name HA )) 3.300 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 3.971 ppm2 4.747 CV 1 ASSI { 222} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 108 and name HB )) 2.700 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.55972E-02 ppm1 3.811 ppm2 2.076 CV 1 OR { 222} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 108 and name HB )) ASSI { 223} (( segid " " and resid 58 and name HB2 )) ( segid " " and resid 108 and name HG1%) 3.000 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.54445E-02 ppm1 3.809 ppm2 0.952 CV 1 OR { 223} (( segid " " and resid 58 and name HB1 )) ( segid " " and resid 108 and name HG1%) ASSI { 225} (( segid " " and resid 59 and name HA )) (( segid " " and resid 107 and name HA )) 2.300 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 5.217 ppm2 4.737 CV 1 ASSI { 228} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.300 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.36487E-02 ppm1 5.224 ppm2 0.803 CV 1 OR { 228} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD1%) ASSI { 231} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HA )) 2.900 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.35723E-02 ppm1 1.828 ppm2 4.451 CV 1 ASSI { 233} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HB2 )) 2.300 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.29801E-02 ppm1 1.790 ppm2 1.627 CV 1 ASSI { 237} (( segid " " and resid 131 and name HA )) (( segid " " and resid 130 and name HA )) 3.200 1.300 1.300 peak 237 spectrum 1 weight 0.10000E+01 volume 0.38397E-02 ppm1 4.400 ppm2 4.769 CV 1 ASSI { 238} (( segid " " and resid 131 and name HA )) ( segid " " and resid 131 and name HD% ) 2.600 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.50241E-02 ppm1 4.388 ppm2 7.185 CV 1 ASSI { 239} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB1 )) 2.800 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.48713E-02 ppm1 4.374 ppm2 2.996 CV 1 ASSI { 240} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) 2.200 0.600 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.53489E-02 ppm1 4.395 ppm2 2.865 CV 1 ASSI { 242} (( segid " " and resid 61 and name HA )) ( segid " " and resid 61 and name HG2%) 2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 4.410 ppm2 0.777 CV 1 ASSI { 247} (( segid " " and resid 62 and name HA )) (( segid " " and resid 90 and name HB2 )) 2.200 0.600 0.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 3.612 ppm2 1.964 CV 1 ASSI { 248} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.300 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 3.611 ppm2 1.833 CV 1 ASSI { 249} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.600 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 3.610 ppm2 1.706 CV 1 ASSI { 251} (( segid " " and resid 62 and name HA )) (( segid " " and resid 90 and name HB2 )) 3.400 1.400 1.400 peak 251 spectrum 1 weight 0.10000E+01 volume 0.47567E-02 ppm1 3.613 ppm2 1.438 CV 1 ASSI { 253} (( segid " " and resid 62 and name HA )) ( segid " " and resid 90 and name HD1%) 3.100 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.55591E-02 ppm1 3.606 ppm2 1.060 CV 1 ASSI { 254} (( segid " " and resid 62 and name HA )) ( segid " " and resid 90 and name HD2%) 2.700 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.52534E-02 ppm1 3.612 ppm2 0.750 CV 1 ASSI { 258} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HG2 )) 2.800 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.38016E-02 ppm1 1.694 ppm2 1.338 CV 1 ASSI { 261} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HA )) 2.400 0.700 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 1.383 ppm2 5.949 CV 1 OR { 261} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HA )) ASSI { 262} (( segid " " and resid 62 and name HG2 )) ( segid " " and resid 61 and name HG1%) 3.800 1.800 1.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.30757E-02 ppm1 1.307 ppm2 0.942 CV 1 ASSI { 263} (( segid " " and resid 62 and name HG2 )) ( segid " " and resid 90 and name HD2%) 3.500 1.500 1.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.31138E-02 ppm1 1.292 ppm2 0.755 CV 1 ASSI { 264} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 90 and name HB1 )) 3.400 1.400 1.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.44320E-02 ppm1 1.310 ppm2 1.971 CV 1 ASSI { 266} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HA )) 2.300 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 1.298 ppm2 4.191 CV 1 ASSI { 269} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HG1 )) 2.600 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.33240E-02 ppm1 1.722 ppm2 1.522 CV 1 OR { 269} (( segid " " and resid 62 and name HD1 )) (( segid " " and resid 62 and name HG1 )) ASSI { 271} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HE2 )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 1.471 ppm2 2.582 CV 1 OR { 271} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HE1 )) ASSI { 274} (( segid " " and resid 63 and name HA1 )) (( segid " " and resid 63 and name HA2 )) 2.200 0.600 0.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 4.426 ppm2 3.519 CV 1 ASSI { 275} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 126 and name HA1 )) 2.000 0.500 0.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.40881E-02 ppm1 3.512 ppm2 3.816 CV 1 ASSI { 278} (( segid " " and resid 63 and name HA2 )) ( segid " " and resid 89 and name HG2%) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 3.512 ppm2 0.983 CV 1 ASSI { 281} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 149 and name HB1 )) 2.900 1.100 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.48140E-02 ppm1 2.454 ppm2 2.669 CV 1 ASSI { 282} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 282 spectrum 1 weight 0.10000E+01 volume 0.45466E-02 ppm1 2.484 ppm2 4.472 CV 1 ASSI { 283} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 149 and name HA )) 2.900 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.54062E-02 ppm1 2.486 ppm2 4.846 CV 1 ASSI { 287} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 61 and name HG2%) 2.900 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 2.484 ppm2 0.780 CV 1 ASSI { 289} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB )) 2.300 0.700 0.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.50815E-02 ppm1 4.269 ppm2 1.723 CV 1 ASSI { 290} (( segid " " and resid 65 and name HA )) ( segid " " and resid 89 and name HG2%) 3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.51197E-02 ppm1 4.270 ppm2 0.988 CV 1 ASSI { 292} (( segid " " and resid 65 and name HA )) ( segid " " and resid 65 and name HG2%) 2.800 1.000 1.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 4.266 ppm2 0.464 CV 1 ASSI { 293} (( segid " " and resid 65 and name HA )) ( segid " " and resid 66 and name HG2%) 3.200 1.300 1.300 peak 293 spectrum 1 weight 0.10000E+01 volume 0.54445E-02 ppm1 4.275 ppm2 0.033 CV 1 ASSI { 295} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG1 )) 2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.34768E-02 ppm1 1.749 ppm2 2.046 CV 1 OR { 295} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HG2 )) ASSI { 296} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 85 and name HA )) 2.800 1.000 1.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.37633E-02 ppm1 1.743 ppm2 4.399 CV 1 ASSI { 298} (( segid " " and resid 65 and name HB )) ( segid " " and resid 65 and name HG2%) 2.600 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.37252E-02 ppm1 1.731 ppm2 0.465 CV 1 ASSI { 303} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 142 and name HA )) 2.600 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.32858E-02 ppm1 0.851 ppm2 5.069 CV 1 OR { 303} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HA )) ASSI { 308} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB )) 2.400 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.42410E-02 ppm1 5.066 ppm2 1.692 CV 1 ASSI { 311} (( segid " " and resid 66 and name HA )) ( segid " " and resid 66 and name HG2%) 2.900 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.49096E-02 ppm1 5.067 ppm2 0.021 CV 1 ASSI { 317} (( segid " " and resid 67 and name HA )) (( segid " " and resid 85 and name HA )) 3.300 1.300 1.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.59220E-02 ppm1 5.318 ppm2 4.351 CV 1 ASSI { 318} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB )) 2.300 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 5.318 ppm2 3.993 CV 1 ASSI { 319} (( segid " " and resid 67 and name HA )) ( segid " " and resid 67 and name HG2%) 2.600 0.900 0.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 5.315 ppm2 1.070 CV 1 ASSI { 320} (( segid " " and resid 67 and name HA )) ( segid " " and resid 87 and name HG2%) 2.600 0.900 0.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.48713E-02 ppm1 5.326 ppm2 0.729 CV 1 ASSI { 321} (( segid " " and resid 87 and name HA )) ( segid " " and resid 65 and name HG2%) 3.300 1.300 1.300 peak 321 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 5.323 ppm2 0.470 CV 1 ASSI { 323} (( segid " " and resid 67 and name HB )) (( segid " " and resid 145 and name HB1 )) 3.600 3.600 2.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.50051E-02 ppm1 3.989 ppm2 1.889 CV 1 ASSI { 328} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 66 and name HB )) 3.500 1.500 1.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.35723E-02 ppm1 1.070 ppm2 1.689 CV 1 ASSI { 332} (( segid " " and resid 68 and name HA )) (( segid " " and resid 144 and name HA )) 2.300 0.700 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 5.593 ppm2 4.644 CV 1 ASSI { 333} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) 2.500 0.800 0.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.39353E-02 ppm1 5.599 ppm2 2.229 CV 1 ASSI { 336} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HG1%) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 5.595 ppm2 1.089 CV 1 ASSI { 337} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HG2%) 2.800 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 5.595 ppm2 0.961 CV 1 ASSI { 338} (( segid " " and resid 68 and name HA )) ( segid " " and resid 142 and name HG1%) 3.400 1.500 1.500 peak 338 spectrum 1 weight 0.10000E+01 volume 0.47950E-02 ppm1 5.596 ppm2 0.883 CV 1 ASSI { 341} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG1%) 2.500 0.800 0.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.35914E-02 ppm1 2.226 ppm2 1.097 CV 1 ASSI { 342} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG2%) 2.400 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.34768E-02 ppm1 2.219 ppm2 0.958 CV 1 ASSI { 347} (( segid " " and resid 69 and name HA )) (( segid " " and resid 143 and name HB )) 3.300 1.400 1.400 peak 347 spectrum 1 weight 0.10000E+01 volume 0.59220E-02 ppm1 5.388 ppm2 4.081 CV 1 ASSI { 348} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.600 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 5.386 ppm2 3.183 CV 1 ASSI { 349} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.200 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 5.389 ppm2 3.093 CV 1 ASSI { 354} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HD2 )) 2.700 0.900 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.45848E-02 ppm1 5.386 ppm2 6.917 CV 1 ASSI { 357} (( segid " " and resid 69 and name HA )) (( segid " " and resid 84 and name HA )) 2.600 0.800 0.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.47758E-02 ppm1 5.390 ppm2 4.394 CV 1 ASSI { 361} (( segid " " and resid 69 and name HA )) (( segid " " and resid 145 and name HE2 )) 3.500 1.500 1.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.57692E-02 ppm1 5.401 ppm2 3.007 CV 1 ASSI { 365} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HB2 )) 3.300 3.300 2.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 5.373 ppm2 1.228 CV 1 ASSI { 369} (( segid " " and resid 71 and name HA )) (( segid " " and resid 79 and name HA )) 3.200 3.200 2.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.41645E-02 ppm1 5.053 ppm2 4.508 CV 1 ASSI { 370} (( segid " " and resid 88 and name HA )) (( segid " " and resid 65 and name HA )) 2.800 2.800 3.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.55591E-02 ppm1 5.045 ppm2 4.273 CV 1 ASSI { 371} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG1 )) 2.300 0.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.52916E-02 ppm1 5.054 ppm2 2.334 CV 1 ASSI { 372} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.200 0.600 0.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 5.057 ppm2 2.198 CV 1 ASSI { 373} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.500 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 5.065 ppm2 2.050 CV 1 ASSI { 375} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HA )) 3.200 1.300 1.300 peak 375 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 2.344 ppm2 4.515 CV 1 ASSI { 377} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 69 and name HD2 )) 2.600 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.49860E-02 ppm1 2.335 ppm2 6.914 CV 1 ASSI { 379} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 379 spectrum 1 weight 0.10000E+01 volume 0.36678E-02 ppm1 2.188 ppm2 5.043 CV 1 ASSI { 384} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HA )) 2.900 2.900 3.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.53489E-02 ppm1 4.911 ppm2 4.405 CV 1 ASSI { 386} (( segid " " and resid 72 and name HA )) ( segid " " and resid 72 and name HG2%) 2.500 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.42982E-02 ppm1 4.904 ppm2 1.178 CV 1 ASSI { 387} (( segid " " and resid 72 and name HA )) ( segid " " and resid 140 and name HD1%) 3.600 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.45466E-02 ppm1 4.906 ppm2 0.941 CV 1 ASSI { 388} (( segid " " and resid 72 and name HA )) (( segid " " and resid 140 and name HA )) 2.300 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.46994E-02 ppm1 4.909 ppm2 5.297 CV 1 ASSI { 389} (( segid " " and resid 72 and name HB )) (( segid " " and resid 81 and name HB1 )) 3.600 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 4.014 ppm2 2.073 CV 1 ASSI { 391} (( segid " " and resid 72 and name HB )) (( segid " " and resid 81 and name HA )) 3.700 1.700 1.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 4.025 ppm2 4.660 CV 1 ASSI { 393} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 72 and name HB )) 2.400 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.33813E-02 ppm1 1.179 ppm2 4.025 CV 1 ASSI { 396} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 81 and name HB1 )) 3.500 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.49096E-02 ppm1 1.176 ppm2 2.094 CV 1 ASSI { 397} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 140 and name HA )) 3.200 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.46421E-02 ppm1 1.173 ppm2 5.287 CV 1 ASSI { 398} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 73 and name HA )) 2.600 2.600 3.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.50815E-02 ppm1 1.176 ppm2 5.547 CV 1 ASSI { 399} ( segid " " and resid 72 and name HG2%) ( segid " " and resid 122 and name HE% ) 2.600 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.47567E-02 ppm1 1.179 ppm2 6.630 CV 1 ASSI { 401} ( segid " " and resid 72 and name HG2%) ( segid " " and resid 96 and name HG2%) 3.100 3.100 2.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.50624E-02 ppm1 1.165 ppm2 0.276 CV 1 ASSI { 408} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.46612E-02 ppm1 3.722 ppm2 4.513 CV 1 ASSI { 410} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.800 2.800 3.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.46230E-02 ppm1 3.725 ppm2 4.738 CV 1 OR { 410} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HA )) ASSI { 411} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 2.400 0.700 0.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 3.722 ppm2 5.545 CV 1 ASSI { 412} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 139 and name HB1 )) 2.600 2.600 3.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 3.721 ppm2 2.893 CV 1 ASSI { 414} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 74 and name HD2%) 3.000 3.000 3.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.56164E-02 ppm1 3.719 ppm2 0.834 CV 1 ASSI { 415} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HA )) 2.900 2.900 3.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.61130E-02 ppm1 4.724 ppm2 5.914 CV 1 ASSI { 416} (( segid " " and resid 48 and name HA )) (( segid " " and resid 36 and name HE3 )) 2.600 2.600 3.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.64760E-02 ppm1 4.719 ppm2 7.283 CV 1 OR { 416} (( segid " " and resid 48 and name HA )) (( segid " " and resid 36 and name HD1 )) ASSI { 419} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 78 and name HB )) 2.500 0.800 0.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.44128E-02 ppm1 1.959 ppm2 4.066 CV 1 OR { 419} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 78 and name HB )) ASSI { 420} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.300 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.54254E-02 ppm1 1.954 ppm2 4.757 CV 1 OR { 420} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 422} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HG )) 2.300 0.700 0.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 1.955 ppm2 1.602 CV 1 ASSI { 423} (( segid " " and resid 90 and name HB1 )) ( segid " " and resid 90 and name HD1%) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 1.971 ppm2 1.064 CV 1 ASSI { 425} (( segid " " and resid 90 and name HB1 )) ( segid " " and resid 90 and name HD2%) 2.400 0.700 0.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.37252E-02 ppm1 1.958 ppm2 0.750 CV 1 ASSI { 426} (( segid " " and resid 90 and name HB1 )) ( segid " " and resid 66 and name HG2%) 3.100 1.200 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.50241E-02 ppm1 1.967 ppm2 0.029 CV 1 ASSI { 428} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 74 and name HD2%) 2.900 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.38397E-02 ppm1 1.929 ppm2 0.855 CV 1 ASSI { 436} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HA )) 3.500 1.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 0.944 ppm2 5.378 CV 1 ASSI { 442} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.31329E-02 ppm1 0.863 ppm2 4.758 CV 1 ASSI { 443} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 138 and name HA )) 3.400 1.400 1.400 peak 443 spectrum 1 weight 0.10000E+01 volume 0.35914E-02 ppm1 0.861 ppm2 5.247 CV 1 ASSI { 444} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.700 0.900 0.900 peak 444 spectrum 1 weight 0.10000E+01 volume 0.37252E-02 ppm1 3.989 ppm2 2.038 CV 1 ASSI { 445} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HG1 )) 3.100 1.200 1.200 peak 445 spectrum 1 weight 0.10000E+01 volume 0.43365E-02 ppm1 3.985 ppm2 2.211 CV 1 ASSI { 446} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HG1 )) 3.100 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.25598E-02 ppm1 2.066 ppm2 2.266 CV 1 ASSI { 448} (( segid " " and resid 108 and name HB )) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 2.054 ppm2 3.332 CV 1 ASSI { 450} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 137 and name HB% ) 2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 2.044 ppm2 1.459 CV 1 ASSI { 453} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 74 and name HD2%) 3.500 3.500 2.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.37061E-02 ppm1 2.048 ppm2 0.838 CV 1 ASSI { 456} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 74 and name HA )) 3.500 3.500 2.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.49286E-02 ppm1 4.400 ppm2 4.750 CV 1 ASSI { 457} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 77 and name HA2 )) 2.300 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 4.403 ppm2 3.765 CV 1 ASSI { 461} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HA )) 2.600 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.38016E-02 ppm1 4.035 ppm2 4.355 CV 1 OR { 461} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HA )) ASSI { 464} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.800 1.000 1.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 4.062 ppm2 1.239 CV 1 ASSI { 467} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HG1 )) 3.300 1.300 1.300 peak 467 spectrum 1 weight 0.10000E+01 volume 0.53680E-02 ppm1 4.057 ppm2 1.724 CV 1 ASSI { 470} (( segid " " and resid 79 and name HA )) (( segid " " and resid 73 and name HA )) 1.600 0.300 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.42982E-02 ppm1 4.513 ppm2 5.545 CV 1 ASSI { 471} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 2.300 0.600 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 4.507 ppm2 1.885 CV 1 ASSI { 473} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 1.874 ppm2 4.152 CV 1 OR { 473} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) ASSI { 474} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 104 and name HB1 )) 3.100 3.100 2.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.38397E-02 ppm1 1.882 ppm2 2.480 CV 1 ASSI { 475} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HB1 )) 3.100 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.28082E-02 ppm1 1.693 ppm2 1.886 CV 1 ASSI { 476} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HD1 )) 2.900 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.34004E-02 ppm1 1.691 ppm2 3.241 CV 1 ASSI { 477} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 477 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 1.694 ppm2 4.504 CV 1 ASSI { 478} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HD2 )) 2.300 0.700 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.17002E-02 ppm1 3.207 ppm2 3.213 CV 1 ASSI { 482} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 71 and name HB1 )) 2.700 0.900 0.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 3.246 ppm2 2.198 CV 1 OR { 482} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 71 and name HB1 )) OR { 482} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 71 and name HG2 )) ASSI { 483} (( segid " " and resid 128 and name HD1 )) (( segid " " and resid 128 and name HB1 )) 2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.45848E-02 ppm1 3.230 ppm2 2.007 CV 1 OR { 483} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 128 and name HB1 )) ASSI { 484} (( segid " " and resid 79 and name HD1 )) (( segid " " and resid 79 and name HB1 )) 2.400 0.700 0.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 3.238 ppm2 1.884 CV 1 ASSI { 488} (( segid " " and resid 52 and name HA )) (( segid " " and resid 110 and name HG2 )) 2.600 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.54445E-02 ppm1 4.377 ppm2 2.715 CV 1 OR { 488} (( segid " " and resid 52 and name HA )) (( segid " " and resid 110 and name HG1 )) ASSI { 490} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HA )) 3.500 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.34386E-02 ppm1 2.113 ppm2 5.045 CV 1 ASSI { 493} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 72 and name HB )) 2.000 0.500 0.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 2.401 ppm2 4.026 CV 1 ASSI { 494} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 131 and name HA )) 3.400 3.400 2.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.49286E-02 ppm1 2.386 ppm2 4.330 CV 1 ASSI { 497} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 72 and name HB )) 2.100 0.500 0.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.46994E-02 ppm1 2.165 ppm2 4.023 CV 1 ASSI { 498} (( segid " " and resid 81 and name HG2 )) (( segid " " and resid 71 and name HA )) 3.300 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 2.190 ppm2 5.052 CV 1 ASSI { 499} (( segid " " and resid 82 and name HA )) (( segid " " and resid 71 and name HG1 )) 2.500 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.55017E-02 ppm1 5.052 ppm2 2.327 CV 1 ASSI { 500} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.500 0.800 0.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.42027E-02 ppm1 5.066 ppm2 2.048 CV 1 OR { 500} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG2 )) ASSI { 504} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 82 and name HG2 )) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 2.251 ppm2 2.065 CV 1 ASSI { 506} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 506 spectrum 1 weight 0.10000E+01 volume 0.37633E-02 ppm1 2.256 ppm2 4.289 CV 1 ASSI { 510} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 67 and name HB )) 2.300 0.600 0.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 2.051 ppm2 3.988 CV 1 OR { 510} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 67 and name HB )) ASSI { 511} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HA )) 2.400 0.700 0.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.36296E-02 ppm1 2.047 ppm2 4.396 CV 1 ASSI { 512} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HA )) 2.700 0.900 0.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 2.058 ppm2 5.063 CV 1 ASSI { 514} (( segid " " and resid 18 and name HG2 )) ( segid " " and resid 19 and name HD% ) 3.000 3.000 3.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.55972E-02 ppm1 2.050 ppm2 7.286 CV 1 OR { 514} (( segid " " and resid 18 and name HG2 )) ( segid " " and resid 19 and name HE% ) ASSI { 517} (( segid " " and resid 85 and name HG1 )) ( segid " " and resid 67 and name HG2%) 3.500 1.600 1.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 2.051 ppm2 1.069 CV 1 ASSI { 525} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB1 )) 2.400 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 4.320 ppm2 2.430 CV 1 ASSI { 526} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) 3.200 1.300 1.300 peak 526 spectrum 1 weight 0.10000E+01 volume 0.52916E-02 ppm1 4.311 ppm2 1.777 CV 1 ASSI { 527} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 2.900 1.100 1.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 4.315 ppm2 1.690 CV 1 ASSI { 529} (( segid " " and resid 104 and name HA )) ( segid " " and resid 90 and name HD2%) 2.600 0.900 0.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 4.321 ppm2 0.754 CV 1 ASSI { 541} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HG2 )) 2.500 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 1.878 ppm2 1.421 CV 1 ASSI { 542} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HD1 )) 2.900 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 1.864 ppm2 3.958 CV 1 OR { 542} (( segid " " and resid 124 and name HG2 )) (( segid " " and resid 124 and name HA )) ASSI { 546} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 2.200 0.600 0.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.47567E-02 ppm1 4.469 ppm2 2.994 CV 1 ASSI { 549} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 142 and name HA )) 3.100 3.100 2.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 2.032 ppm2 5.058 CV 1 OR { 549} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 142 and name HA )) ASSI { 552} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 2.200 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.39353E-02 ppm1 1.960 ppm2 5.228 CV 1 ASSI { 557} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HA )) 2.500 0.800 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.40117E-02 ppm1 2.013 ppm2 5.230 CV 1 ASSI { 559} (( segid " " and resid 85 and name HG1 )) ( segid " " and resid 67 and name HG2%) 4.200 2.200 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.33431E-02 ppm1 2.048 ppm2 1.067 CV 1 ASSI { 560} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 111 and name HG2%) 3.000 1.100 1.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.40117E-02 ppm1 1.969 ppm2 1.198 CV 1 ASSI { 561} (( segid " " and resid 141 and name HG1 )) ( segid " " and resid 142 and name HG1%) 3.200 3.200 2.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.40117E-02 ppm1 2.016 ppm2 0.833 CV 1 ASSI { 572} (( segid " " and resid 132 and name HG11)) ( segid " " and resid 132 and name HD1%) 2.500 0.800 0.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 1.011 ppm2 0.459 CV 1 ASSI { 577} (( segid " " and resid 67 and name HA )) (( segid " " and resid 144 and name HA )) 3.000 3.000 3.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 5.330 ppm2 4.725 CV 1 ASSI { 579} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB )) 2.500 0.800 0.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.48140E-02 ppm1 5.357 ppm2 1.892 CV 1 ASSI { 581} (( segid " " and resid 87 and name HA )) ( segid " " and resid 87 and name HG1%) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.40499E-02 ppm1 5.343 ppm2 0.987 CV 1 ASSI { 582} (( segid " " and resid 87 and name HA )) ( segid " " and resid 87 and name HG2%) 2.500 0.800 0.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 5.354 ppm2 0.730 CV 1 ASSI { 589} ( segid " " and resid 87 and name HG1%) ( segid " " and resid 87 and name HG2%) 2.900 1.100 1.100 peak 589 spectrum 1 weight 0.10000E+01 volume 0.27699E-02 ppm1 0.984 ppm2 0.733 CV 1 ASSI { 591} ( segid " " and resid 87 and name HG2%) ( segid " " and resid 67 and name HG2%) 2.600 0.800 0.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.40881E-02 ppm1 0.732 ppm2 1.072 CV 1 ASSI { 596} (( segid " " and resid 88 and name HA )) ( segid " " and resid 88 and name HD% ) 3.200 1.300 1.300 peak 596 spectrum 1 weight 0.10000E+01 volume 0.49860E-02 ppm1 4.965 ppm2 6.967 CV 1 ASSI { 597} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HA )) 3.000 3.000 3.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 4.974 ppm2 4.613 CV 1 ASSI { 598} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB1 )) 2.600 0.800 0.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.42218E-02 ppm1 4.969 ppm2 3.147 CV 1 ASSI { 602} (( segid " " and resid 88 and name HB1 )) ( segid " " and resid 88 and name HE% ) 3.200 1.300 1.300 peak 602 spectrum 1 weight 0.10000E+01 volume 0.50051E-02 ppm1 3.148 ppm2 7.178 CV 1 ASSI { 603} (( segid " " and resid 88 and name HB1 )) ( segid " " and resid 95 and name HG1%) 2.500 0.800 0.800 peak 603 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 3.142 ppm2 0.325 CV 1 ASSI { 604} (( segid " " and resid 88 and name HB1 )) ( segid " " and resid 95 and name HG2%) 3.200 1.300 1.300 peak 604 spectrum 1 weight 0.10000E+01 volume 0.52343E-02 ppm1 3.136 ppm2 0.094 CV 1 ASSI { 605} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 143 and name HB )) 2.800 1.000 1.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 3.006 ppm2 4.090 CV 1 OR { 605} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 143 and name HB )) ASSI { 606} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 144 and name HA )) 1.600 1.600 4.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.37252E-02 ppm1 3.016 ppm2 4.617 CV 1 OR { 606} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 144 and name HA )) ASSI { 608} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HB1 )) 2.400 0.700 0.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 3.005 ppm2 1.887 CV 1 OR { 608} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HB1 )) ASSI { 609} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HD1 )) 2.600 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.36487E-02 ppm1 3.014 ppm2 1.772 CV 1 OR { 609} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HD2 )) OR { 609} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HD1 )) OR { 609} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HD2 )) ASSI { 611} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HG1 )) 3.000 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 3.001 ppm2 1.576 CV 1 OR { 611} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HG1 )) ASSI { 612} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HG2 )) 2.600 0.900 0.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.42218E-02 ppm1 3.001 ppm2 1.415 CV 1 OR { 612} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HG2 )) ASSI { 613} (( segid " " and resid 145 and name HE2 )) ( segid " " and resid 67 and name HG2%) 2.600 0.900 0.900 peak 613 spectrum 1 weight 0.10000E+01 volume 0.42410E-02 ppm1 3.005 ppm2 1.064 CV 1 OR { 613} (( segid " " and resid 145 and name HE1 )) ( segid " " and resid 67 and name HG2%) ASSI { 615} (( segid " " and resid 89 and name HB )) (( segid " " and resid 92 and name HB1 )) 2.200 0.600 0.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 4.153 ppm2 2.898 CV 1 ASSI { 616} (( segid " " and resid 89 and name HB )) (( segid " " and resid 92 and name HB2 )) 2.900 1.000 1.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 4.146 ppm2 2.681 CV 1 ASSI { 618} (( segid " " and resid 89 and name HB )) ( segid " " and resid 89 and name HG2%) 2.600 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 4.138 ppm2 0.986 CV 1 ASSI { 621} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 108 and name HA )) 2.800 1.000 1.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.34577E-02 ppm1 0.944 ppm2 3.339 CV 1 ASSI { 623} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 88 and name HE% ) 2.200 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 0.960 ppm2 7.178 CV 1 ASSI { 629} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HA )) 2.500 0.800 0.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.43746E-02 ppm1 1.958 ppm2 4.364 CV 1 ASSI { 640} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HD2 )) 2.900 1.100 1.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.45848E-02 ppm1 1.772 ppm2 3.076 CV 1 ASSI { 641} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 641 spectrum 1 weight 0.10000E+01 volume 0.46421E-02 ppm1 1.778 ppm2 5.198 CV 1 ASSI { 647} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 98 and name HA )) 2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.34577E-02 ppm1 0.797 ppm2 3.842 CV 1 ASSI { 652} (( segid " " and resid 91 and name HA1 )) (( segid " " and resid 91 and name HA2 )) 2.000 0.500 0.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.42982E-02 ppm1 4.268 ppm2 3.935 CV 1 ASSI { 654} (( segid " " and resid 91 and name HA2 )) (( segid " " and resid 100 and name HA )) 2.800 2.800 3.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.56355E-02 ppm1 3.928 ppm2 4.661 CV 1 ASSI { 657} (( segid " " and resid 149 and name HA )) (( segid " " and resid 148 and name HA )) 3.200 1.300 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.46230E-02 ppm1 4.852 ppm2 4.606 CV 1 ASSI { 658} (( segid " " and resid 149 and name HA )) (( segid " " and resid 64 and name HA )) 2.300 0.600 0.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.46421E-02 ppm1 4.853 ppm2 4.481 CV 1 ASSI { 659} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB1 )) 2.800 1.000 1.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.53489E-02 ppm1 4.846 ppm2 2.897 CV 1 ASSI { 660} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 4.848 ppm2 2.695 CV 1 ASSI { 661} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB2 )) 2.400 0.700 0.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.53107E-02 ppm1 4.838 ppm2 2.509 CV 1 ASSI { 662} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HB1 )) 2.200 0.600 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.34959E-02 ppm1 2.677 ppm2 2.895 CV 1 ASSI { 667} (( segid " " and resid 92 and name HB1 )) ( segid " " and resid 89 and name HG2%) 3.100 1.200 1.200 peak 667 spectrum 1 weight 0.10000E+01 volume 0.49477E-02 ppm1 2.895 ppm2 0.989 CV 1 ASSI { 669} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB1 )) 2.500 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.40499E-02 ppm1 4.273 ppm2 3.204 CV 1 ASSI { 671} (( segid " " and resid 93 and name HA )) ( segid " " and resid 95 and name HG1%) 3.400 3.400 2.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 4.295 ppm2 0.324 CV 1 ASSI { 672} (( segid " " and resid 93 and name HA )) ( segid " " and resid 95 and name HG2%) 2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 4.293 ppm2 0.091 CV 1 ASSI { 673} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HB2 )) 2.400 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.28464E-02 ppm1 3.198 ppm2 3.201 CV 1 ASSI { 675} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 88 and name HB2 )) 2.000 0.500 0.500 peak 675 spectrum 1 weight 0.10000E+01 volume 0.49669E-02 ppm1 2.803 ppm2 3.126 CV 1 ASSI { 676} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 88 and name HB1 )) 4.600 2.700 1.400 peak 676 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 2.717 ppm2 3.149 CV 1 ASSI { 681} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB )) 2.500 0.800 0.800 peak 681 spectrum 1 weight 0.10000E+01 volume 0.40499E-02 ppm1 4.294 ppm2 1.807 CV 1 ASSI { 682} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HG1%) 2.500 0.800 0.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.53299E-02 ppm1 4.295 ppm2 0.324 CV 1 ASSI { 683} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HG2%) 3.100 1.200 1.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 4.293 ppm2 0.092 CV 1 ASSI { 684} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HD2 )) 2.500 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 1.801 ppm2 2.786 CV 1 OR { 684} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HD2 )) OR { 684} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HD1 )) OR { 684} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HD1 )) ASSI { 685} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 36 and name HB2 )) 3.200 1.200 1.200 peak 685 spectrum 1 weight 0.10000E+01 volume 0.52534E-02 ppm1 1.767 ppm2 2.868 CV 1 ASSI { 686} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 36 and name HB1 )) 4.200 2.200 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.52725E-02 ppm1 1.804 ppm2 3.056 CV 1 ASSI { 688} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HA )) 2.700 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 1.812 ppm2 4.772 CV 1 ASSI { 689} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 1.800 ppm2 5.937 CV 1 OR { 689} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) ASSI { 691} (( segid " " and resid 95 and name HB )) ( segid " " and resid 95 and name HG1%) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 1.806 ppm2 0.325 CV 1 ASSI { 692} (( segid " " and resid 95 and name HB )) ( segid " " and resid 95 and name HG2%) 2.600 0.900 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.35150E-02 ppm1 1.806 ppm2 0.092 CV 1 ASSI { 703} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 99 and name HB2 )) 3.500 1.500 1.500 peak 703 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 0.090 ppm2 1.331 CV 1 ASSI { 704} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 99 and name HB1 )) 2.300 0.700 0.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 0.089 ppm2 1.503 CV 1 ASSI { 709} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 97 and name HA )) 3.100 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 0.094 ppm2 4.027 CV 1 ASSI { 711} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 100 and name HA )) 2.500 0.800 0.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 0.093 ppm2 4.630 CV 1 ASSI { 713} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 88 and name HZ )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.46230E-02 ppm1 0.081 ppm2 6.852 CV 1 ASSI { 714} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 88 and name HD% ) 2.400 0.700 0.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 0.088 ppm2 6.962 CV 1 ASSI { 715} ( segid " " and resid 95 and name HG2%) ( segid " " and resid 88 and name HE% ) 2.400 0.700 0.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.39162E-02 ppm1 0.086 ppm2 7.178 CV 1 ASSI { 716} (( segid " " and resid 118 and name HA )) (( segid " " and resid 137 and name HA )) 2.900 2.900 3.100 peak 716 spectrum 1 weight 0.10000E+01 volume 0.48522E-02 ppm1 4.007 ppm2 4.648 CV 1 ASSI { 718} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HD1%) 3.600 1.600 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.47567E-02 ppm1 4.019 ppm2 0.751 CV 1 ASSI { 719} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HG2%) 2.700 0.900 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.35532E-02 ppm1 4.016 ppm2 0.278 CV 1 ASSI { 720} (( segid " " and resid 96 and name HB )) (( segid " " and resid 96 and name HA )) 2.400 0.700 0.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.54062E-02 ppm1 2.099 ppm2 4.023 CV 1 ASSI { 721} (( segid " " and resid 96 and name HB )) (( segid " " and resid 121 and name HA )) 2.400 0.700 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 2.098 ppm2 4.461 CV 1 ASSI { 722} (( segid " " and resid 96 and name HB )) (( segid " " and resid 120 and name HA )) 2.500 2.500 3.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.51770E-02 ppm1 2.107 ppm2 4.764 CV 1 ASSI { 725} (( segid " " and resid 96 and name HB )) (( segid " " and resid 96 and name HG11)) 2.100 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 2.090 ppm2 1.277 CV 1 ASSI { 726} (( segid " " and resid 96 and name HB )) ( segid " " and resid 96 and name HD1%) 2.500 0.800 0.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.48713E-02 ppm1 2.096 ppm2 0.752 CV 1 ASSI { 727} (( segid " " and resid 96 and name HB )) ( segid " " and resid 96 and name HG2%) 2.500 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 2.097 ppm2 0.278 CV 1 ASSI { 728} (( segid " " and resid 62 and name HD1 )) (( segid " " and resid 62 and name HA )) 3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.48140E-02 ppm1 1.736 ppm2 3.618 CV 1 ASSI { 730} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HB1 )) 2.000 0.500 0.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 4.030 ppm2 2.578 CV 1 ASSI { 731} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HG1 )) 2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.46230E-02 ppm1 4.016 ppm2 2.654 CV 1 ASSI { 733} (( segid " " and resid 97 and name HA )) (( segid " " and resid 100 and name HB2 )) 3.000 1.100 1.100 peak 733 spectrum 1 weight 0.10000E+01 volume 0.47758E-02 ppm1 4.030 ppm2 2.413 CV 1 ASSI { 735} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 97 and name HA )) 3.200 1.200 1.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 2.478 ppm2 4.030 CV 1 ASSI { 736} (( segid " " and resid 97 and name HG1 )) ( segid " " and resid 120 and name HD% ) 3.400 1.500 1.500 peak 736 spectrum 1 weight 0.10000E+01 volume 0.55017E-02 ppm1 2.640 ppm2 6.920 CV 1 ASSI { 737} (( segid " " and resid 97 and name HG2 )) ( segid " " and resid 120 and name HD% ) 3.300 1.400 1.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.49860E-02 ppm1 2.483 ppm2 6.936 CV 1 ASSI { 739} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 97 and name HB1 )) 2.700 0.900 0.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.35532E-02 ppm1 2.649 ppm2 2.279 CV 1 OR { 739} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 97 and name HB2 )) ASSI { 743} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 101 and name HG )) 3.400 1.400 1.400 peak 743 spectrum 1 weight 0.10000E+01 volume 0.53871E-02 ppm1 2.476 ppm2 1.806 CV 1 ASSI { 747} (( segid " " and resid 98 and name HA )) (( segid " " and resid 120 and name HB1 )) 2.600 0.900 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.49477E-02 ppm1 3.843 ppm2 3.283 CV 1 ASSI { 748} (( segid " " and resid 98 and name HA )) (( segid " " and resid 120 and name HB2 )) 3.500 1.500 1.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.52534E-02 ppm1 3.833 ppm2 2.556 CV 1 ASSI { 749} (( segid " " and resid 98 and name HA )) ( segid " " and resid 98 and name HB% ) 2.400 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.34195E-02 ppm1 3.840 ppm2 1.140 CV 1 ASSI { 751} (( segid " " and resid 98 and name HA )) ( segid " " and resid 45 and name HD2%) 2.400 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 3.838 ppm2 0.519 CV 1 ASSI { 754} ( segid " " and resid 98 and name HB% ) ( segid " " and resid 45 and name HD2%) 2.800 1.000 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.44320E-02 ppm1 1.136 ppm2 0.517 CV 1 ASSI { 755} ( segid " " and resid 98 and name HB% ) ( segid " " and resid 96 and name HG2%) 3.700 1.700 1.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 1.137 ppm2 0.282 CV 1 ASSI { 756} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 120 and name HB2 )) 3.200 1.300 1.300 peak 756 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 1.138 ppm2 2.563 CV 1 ASSI { 757} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 120 and name HB1 )) 2.200 0.600 0.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 1.137 ppm2 3.274 CV 1 ASSI { 760} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HB2 )) 2.000 0.500 0.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 1.524 ppm2 1.381 CV 1 ASSI { 762} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 99 and name HA )) 2.600 0.900 0.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 1.503 ppm2 4.194 CV 1 ASSI { 765} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 99 and name HD2%) 2.500 0.800 0.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.37061E-02 ppm1 1.337 ppm2 0.760 CV 1 ASSI { 768} (( segid " " and resid 99 and name HG )) (( segid " " and resid 99 and name HB1 )) 2.400 0.700 0.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.26744E-02 ppm1 1.370 ppm2 1.496 CV 1 ASSI { 772} (( segid " " and resid 99 and name HG )) (( segid " " and resid 99 and name HA )) 2.500 0.800 0.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.50815E-02 ppm1 1.363 ppm2 4.196 CV 1 ASSI { 773} (( segid " " and resid 99 and name HG )) (( segid " " and resid 88 and name HZ )) 2.000 0.500 0.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.56928E-02 ppm1 1.365 ppm2 6.850 CV 1 ASSI { 774} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HN )) 2.900 2.900 3.100 peak 774 spectrum 1 weight 0.10000E+01 volume 0.57692E-02 ppm1 1.376 ppm2 8.446 CV 1 ASSI { 786} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 120 and name HB1 )) 3.000 1.100 1.100 peak 786 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 0.802 ppm2 3.283 CV 1 ASSI { 789} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HG )) 2.400 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.30183E-02 ppm1 0.755 ppm2 1.377 CV 1 ASSI { 793} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 88 and name HE% ) 2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 0.754 ppm2 7.178 CV 1 ASSI { 800} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.600 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.49860E-02 ppm1 4.600 ppm2 3.051 CV 1 ASSI { 801} (( segid " " and resid 100 and name HA )) ( segid " " and resid 90 and name HD1%) 2.300 0.700 0.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.53299E-02 ppm1 4.611 ppm2 1.053 CV 1 ASSI { 802} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 2.200 0.600 0.600 peak 802 spectrum 1 weight 0.10000E+01 volume 0.53107E-02 ppm1 4.615 ppm2 2.414 CV 1 ASSI { 807} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 100 and name HA )) 2.600 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.51579E-02 ppm1 2.557 ppm2 4.608 CV 1 ASSI { 811} (( segid " " and resid 100 and name HB1 )) ( segid " " and resid 95 and name HG2%) 2.900 1.000 1.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.56928E-02 ppm1 2.571 ppm2 0.094 CV 1 ASSI { 812} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 95 and name HG2%) 2.200 0.600 0.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.49860E-02 ppm1 2.407 ppm2 0.092 CV 1 ASSI { 813} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HA )) 3.100 3.100 2.900 peak 813 spectrum 1 weight 0.10000E+01 volume 0.31329E-02 ppm1 4.294 ppm2 4.670 CV 1 ASSI { 814} (( segid " " and resid 101 and name HA )) (( segid " " and resid 103 and name HB )) 3.400 1.500 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.50432E-02 ppm1 4.286 ppm2 2.337 CV 1 ASSI { 816} (( segid " " and resid 101 and name HA )) (( segid " " and resid 104 and name HG1 )) 2.900 1.100 1.100 peak 816 spectrum 1 weight 0.10000E+01 volume 0.45466E-02 ppm1 4.283 ppm2 2.075 CV 1 ASSI { 818} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HD1%) 3.100 1.200 1.200 peak 818 spectrum 1 weight 0.10000E+01 volume 0.35532E-02 ppm1 4.278 ppm2 0.848 CV 1 ASSI { 821} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 2.800 1.000 1.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.40881E-02 ppm1 1.929 ppm2 4.579 CV 1 ASSI { 822} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.500 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 1.736 ppm2 4.579 CV 1 ASSI { 830} ( segid " " and resid 66 and name HG1%) ( segid " " and resid 103 and name HG1%) 2.600 0.900 0.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 0.679 ppm2 1.314 CV 1 ASSI { 832} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 64 and name HB1 )) 3.000 1.100 1.100 peak 832 spectrum 1 weight 0.10000E+01 volume 0.47567E-02 ppm1 0.677 ppm2 2.213 CV 1 OR { 832} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 64 and name HG2 )) ASSI { 833} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 66 and name HA )) 2.600 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.33813E-02 ppm1 0.681 ppm2 5.057 CV 1 ASSI { 835} (( segid " " and resid 102 and name HA )) (( segid " " and resid 98 and name HA )) 3.100 3.100 2.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.52534E-02 ppm1 4.481 ppm2 3.858 CV 1 ASSI { 836} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB1 )) 2.500 0.800 0.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.48713E-02 ppm1 4.466 ppm2 3.612 CV 1 ASSI { 839} (( segid " " and resid 102 and name HA )) ( segid " " and resid 105 and name HD1%) 2.500 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.56164E-02 ppm1 4.467 ppm2 0.987 CV 1 ASSI { 840} (( segid " " and resid 102 and name HA )) ( segid " " and resid 39 and name HD1%) 2.300 0.700 0.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.46421E-02 ppm1 4.470 ppm2 0.764 CV 1 ASSI { 844} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 47 and name HG2 )) 2.500 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.55591E-02 ppm1 3.592 ppm2 1.385 CV 1 OR { 844} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 47 and name HG1 )) OR { 844} (( segid " " and resid 102 and name HB1 )) (( segid " " and resid 47 and name HG1 )) ASSI { 849} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB )) 2.400 0.700 0.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.51387E-02 ppm1 3.954 ppm2 2.298 CV 1 ASSI { 850} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HB1 )) 2.300 0.700 0.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.52343E-02 ppm1 3.961 ppm2 2.185 CV 1 ASSI { 852} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HG2 )) 2.600 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 3.970 ppm2 1.969 CV 1 OR { 852} (( segid " " and resid 103 and name HA )) ( segid " " and resid 106 and name HE% ) OR { 852} (( segid " " and resid 103 and name HA )) (( segid " " and resid 106 and name HB2 )) ASSI { 853} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HG1%) 2.600 0.800 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.35914E-02 ppm1 3.966 ppm2 1.306 CV 1 ASSI { 854} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HG2%) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.42027E-02 ppm1 3.966 ppm2 1.033 CV 1 ASSI { 856} (( segid " " and resid 103 and name HB )) (( segid " " and resid 104 and name HD1 )) 1.700 0.400 0.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 2.306 ppm2 3.646 CV 1 ASSI { 857} (( segid " " and resid 103 and name HB )) (( segid " " and resid 62 and name HG2 )) 3.600 3.600 2.400 peak 857 spectrum 1 weight 0.10000E+01 volume 0.36487E-02 ppm1 2.301 ppm2 1.305 CV 1 ASSI { 858} (( segid " " and resid 103 and name HB )) ( segid " " and resid 68 and name HG1%) 3.400 3.400 2.600 peak 858 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 2.300 ppm2 1.041 CV 1 ASSI { 862} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 2.300 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.32284E-02 ppm1 2.303 ppm2 2.048 CV 1 ASSI { 863} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD1 )) 2.900 1.100 1.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.47950E-02 ppm1 2.309 ppm2 3.829 CV 1 ASSI { 866} (( segid " " and resid 105 and name HA )) (( segid " " and resid 59 and name HD1 )) 3.000 1.100 1.100 peak 866 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 4.380 ppm2 3.192 CV 1 ASSI { 868} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB1 )) 2.500 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 4.385 ppm2 1.801 CV 1 ASSI { 869} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.46994E-02 ppm1 4.381 ppm2 1.705 CV 1 ASSI { 870} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HG )) 2.700 0.900 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.47185E-02 ppm1 4.373 ppm2 1.622 CV 1 ASSI { 871} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HD1%) 3.400 1.400 1.400 peak 871 spectrum 1 weight 0.10000E+01 volume 0.51770E-02 ppm1 4.379 ppm2 0.982 CV 1 ASSI { 872} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HD2%) 2.500 0.800 0.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 4.377 ppm2 0.878 CV 1 ASSI { 875} (( segid " " and resid 105 and name HB1 )) ( segid " " and resid 105 and name HD1%) 2.600 0.800 0.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 1.813 ppm2 0.987 CV 1 ASSI { 876} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 105 and name HD1%) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.40117E-02 ppm1 1.710 ppm2 0.987 CV 1 ASSI { 881} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 37 and name HG )) 1.700 1.700 4.300 peak 881 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 0.966 ppm2 1.493 CV 1 ASSI { 888} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 105 and name HB1 )) 2.700 0.900 0.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.37061E-02 ppm1 0.872 ppm2 1.797 CV 1 ASSI { 891} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 120 and name HA )) 3.000 1.100 1.100 peak 891 spectrum 1 weight 0.10000E+01 volume 0.28082E-02 ppm1 0.875 ppm2 4.769 CV 1 ASSI { 895} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB2 )) 2.300 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 4.389 ppm2 1.879 CV 1 ASSI { 896} (( segid " " and resid 106 and name HA )) (( segid " " and resid 105 and name HB2 )) 3.000 3.000 3.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 4.389 ppm2 1.741 CV 1 ASSI { 897} (( segid " " and resid 85 and name HA )) ( segid " " and resid 67 and name HG2%) 3.500 1.600 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.47185E-02 ppm1 4.387 ppm2 1.069 CV 1 ASSI { 898} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 106 and name HB1 )) 2.000 0.500 0.500 peak 898 spectrum 1 weight 0.10000E+01 volume 0.36869E-02 ppm1 1.913 ppm2 2.152 CV 1 ASSI { 900} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) 2.500 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.37633E-02 ppm1 1.858 ppm2 1.383 CV 1 OR { 900} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG2 )) ASSI { 909} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 88 and name HD% ) 1.500 1.500 4.500 peak 909 spectrum 1 weight 0.10000E+01 volume 0.51579E-02 ppm1 2.466 ppm2 7.016 CV 1 ASSI { 912} (( segid " " and resid 48 and name HE2 )) (( segid " " and resid 36 and name HZ2 )) 2.400 0.700 0.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.58456E-02 ppm1 2.316 ppm2 7.464 CV 1 ASSI { 915} (( segid " " and resid 100 and name HB2 )) ( segid " " and resid 101 and name HD1%) 3.800 3.800 2.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 2.472 ppm2 0.630 CV 1 ASSI { 924} (( segid " " and resid 108 and name HB )) (( segid " " and resid 57 and name HB2 )) 3.100 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 2.043 ppm2 3.985 CV 1 ASSI { 925} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 2.900 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.34004E-02 ppm1 2.055 ppm2 4.294 CV 1 ASSI { 932} (( segid " " and resid 109 and name HA2 )) (( segid " " and resid 109 and name HA1 )) 2.300 0.600 0.600 peak 932 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 3.753 ppm2 4.406 CV 1 ASSI { 933} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 107 and name HB1 )) 1.600 1.600 4.400 peak 933 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 1.986 ppm2 2.602 CV 1 ASSI { 934} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 106 and name HA )) 3.200 3.200 2.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 2.004 ppm2 4.403 CV 1 ASSI { 935} (( segid " " and resid 80 and name HB )) ( segid " " and resid 132 and name HD1%) 2.800 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.47758E-02 ppm1 2.010 ppm2 0.459 CV 1 ASSI { 937} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 2.763 ppm2 4.879 CV 1 ASSI { 938} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HN )) 2.800 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.56355E-02 ppm1 2.747 ppm2 7.106 CV 1 ASSI { 940} (( segid " " and resid 110 and name HG2 )) (( segid " " and resid 110 and name HB1 )) 2.400 0.700 0.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.50624E-02 ppm1 2.757 ppm2 2.261 CV 1 OR { 940} (( segid " " and resid 110 and name HG1 )) (( segid " " and resid 110 and name HB1 )) ASSI { 950} (( segid " " and resid 143 and name HB )) (( segid " " and resid 69 and name HB1 )) 1.600 0.300 0.600 peak 950 spectrum 1 weight 0.10000E+01 volume 0.39353E-02 ppm1 4.086 ppm2 3.195 CV 1 ASSI { 951} (( segid " " and resid 143 and name HB )) (( segid " " and resid 69 and name HB2 )) 3.400 1.400 1.400 peak 951 spectrum 1 weight 0.10000E+01 volume 0.41645E-02 ppm1 4.088 ppm2 3.095 CV 1 ASSI { 952} (( segid " " and resid 143 and name HB )) (( segid " " and resid 145 and name HE2 )) 3.000 1.100 1.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.55209E-02 ppm1 4.084 ppm2 3.009 CV 1 ASSI { 953} (( segid " " and resid 143 and name HB )) ( segid " " and resid 143 and name HG2%) 2.400 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.38780E-02 ppm1 4.084 ppm2 1.045 CV 1 ASSI { 956} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 141 and name HG2 )) 3.000 1.100 1.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 1.192 ppm2 1.967 CV 1 OR { 956} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 141 and name HB2 )) ASSI { 957} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HB )) 2.500 0.800 0.800 peak 957 spectrum 1 weight 0.10000E+01 volume 0.38016E-02 ppm1 1.195 ppm2 3.778 CV 1 ASSI { 958} ( segid " " and resid 111 and name HG2%) (( segid " " and resid 111 and name HA )) 2.600 0.800 0.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 1.193 ppm2 5.618 CV 1 ASSI { 962} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HB )) 3.000 3.000 3.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.58074E-02 ppm1 5.194 ppm2 3.801 CV 1 ASSI { 964} (( segid " " and resid 112 and name HA )) ( segid " " and resid 111 and name HG2%) 3.100 1.200 1.200 peak 964 spectrum 1 weight 0.10000E+01 volume 0.55209E-02 ppm1 5.181 ppm2 1.201 CV 1 ASSI { 965} (( segid " " and resid 112 and name HA )) ( segid " " and resid 49 and name HG2%) 3.200 1.300 1.300 peak 965 spectrum 1 weight 0.10000E+01 volume 0.54635E-02 ppm1 5.197 ppm2 1.051 CV 1 ASSI { 966} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 113 and name HB2 )) 3.700 1.700 1.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.31329E-02 ppm1 1.538 ppm2 1.971 CV 1 ASSI { 967} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 47 and name HE2 )) 3.200 1.300 1.300 peak 967 spectrum 1 weight 0.10000E+01 volume 0.37825E-02 ppm1 1.537 ppm2 2.578 CV 1 OR { 967} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 47 and name HE1 )) ASSI { 971} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 143 and name HA )) 3.200 3.200 2.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.49096E-02 ppm1 1.538 ppm2 5.621 CV 1 ASSI { 973} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 110 and name HG2 )) 2.600 0.800 0.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.54062E-02 ppm1 1.527 ppm2 2.717 CV 1 OR { 973} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 110 and name HG1 )) ASSI { 975} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 106 and name HB1 )) 2.900 1.100 1.100 peak 975 spectrum 1 weight 0.10000E+01 volume 0.46612E-02 ppm1 1.537 ppm2 2.188 CV 1 ASSI { 981} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HG2 )) 2.200 0.600 0.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.41836E-02 ppm1 2.006 ppm2 2.522 CV 1 ASSI { 983} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HG2 )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.42027E-02 ppm1 1.915 ppm2 2.525 CV 1 ASSI { 984} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HG1 )) 2.400 0.700 0.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.41645E-02 ppm1 1.916 ppm2 2.659 CV 1 ASSI { 985} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HG1 )) 2.800 1.000 1.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.43365E-02 ppm1 2.008 ppm2 2.662 CV 1 ASSI { 986} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.40881E-02 ppm1 2.008 ppm2 5.526 CV 1 ASSI { 987} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HA )) 2.200 0.600 0.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 1.918 ppm2 5.528 CV 1 ASSI { 989} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 114 and name HG2%) 3.700 1.700 1.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.31329E-02 ppm1 1.962 ppm2 0.851 CV 1 ASSI { 993} (( segid " " and resid 113 and name HG1 )) (( segid " " and resid 113 and name HA )) 2.300 0.700 0.700 peak 993 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 2.660 ppm2 5.526 CV 1 ASSI { 994} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HA )) 2.900 1.000 1.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.44320E-02 ppm1 2.530 ppm2 5.528 CV 1 ASSI { 996} (( segid " " and resid 113 and name HG1 )) (( segid " " and resid 36 and name HH2 )) 3.200 1.300 1.300 peak 996 spectrum 1 weight 0.10000E+01 volume 0.43365E-02 ppm1 2.667 ppm2 7.018 CV 1 ASSI { 997} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 36 and name HH2 )) 2.200 0.600 0.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.42218E-02 ppm1 2.531 ppm2 7.017 CV 1 ASSI { 998} (( segid " " and resid 113 and name HG1 )) (( segid " " and resid 36 and name HZ2 )) 3.600 1.600 1.600 peak 998 spectrum 1 weight 0.10000E+01 volume 0.53489E-02 ppm1 2.671 ppm2 7.463 CV 1 ASSI { 999} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 36 and name HZ2 )) 2.700 0.900 0.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.57310E-02 ppm1 2.532 ppm2 7.466 CV 1 ASSI { 1013} (( segid " " and resid 114 and name HA )) (( segid " " and resid 36 and name HH2 )) 3.200 1.300 1.300 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.53299E-02 ppm1 5.616 ppm2 7.010 CV 1 ASSI { 1015} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name HB )) 3.500 1.500 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 5.616 ppm2 4.085 CV 1 ASSI { 1017} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB )) 2.400 0.700 0.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.51770E-02 ppm1 5.627 ppm2 2.049 CV 1 ASSI { 1019} (( segid " " and resid 143 and name HA )) ( segid " " and resid 143 and name HG2%) 2.600 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.42218E-02 ppm1 5.619 ppm2 1.044 CV 1 ASSI { 1020} (( segid " " and resid 114 and name HA )) ( segid " " and resid 114 and name HG1%) 2.500 0.800 0.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 5.620 ppm2 0.928 CV 1 ASSI { 1021} (( segid " " and resid 114 and name HA )) ( segid " " and resid 114 and name HG2%) 2.500 0.800 0.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 5.615 ppm2 0.868 CV 1 ASSI { 1022} (( segid " " and resid 142 and name HB )) (( segid " " and resid 142 and name HA )) 2.400 0.700 0.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 1.964 ppm2 5.072 CV 1 ASSI { 1028} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 68 and name HB )) 2.600 0.900 0.900 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.34386E-02 ppm1 0.855 ppm2 2.230 CV 1 ASSI { 1032} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB )) 2.600 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 5.135 ppm2 4.117 CV 1 ASSI { 1033} (( segid " " and resid 115 and name HA )) ( segid " " and resid 115 and name HG2%) 2.700 0.900 0.900 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.39543E-02 ppm1 5.133 ppm2 1.121 CV 1 ASSI { 1035} (( segid " " and resid 115 and name HB )) (( segid " " and resid 116 and name HA )) 2.700 2.700 3.300 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.56736E-02 ppm1 4.125 ppm2 5.377 CV 1 ASSI { 1036} (( segid " " and resid 115 and name HB )) (( segid " " and resid 36 and name HH2 )) 2.600 0.900 0.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.58647E-02 ppm1 4.118 ppm2 7.004 CV 1 ASSI { 1037} (( segid " " and resid 115 and name HB )) (( segid " " and resid 36 and name HE3 )) 3.000 3.000 3.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.57692E-02 ppm1 4.114 ppm2 7.232 CV 1 ASSI { 1042} (( segid " " and resid 116 and name HA )) ( segid " " and resid 120 and name HD% ) 3.100 1.200 1.200 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.56928E-02 ppm1 5.358 ppm2 6.928 CV 1 ASSI { 1049} (( segid " " and resid 116 and name HA )) ( segid " " and resid 114 and name HG1%) 3.000 1.100 1.100 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 5.348 ppm2 0.867 CV 1 ASSI { 1050} (( segid " " and resid 116 and name HA )) ( segid " " and resid 45 and name HD1%) 2.900 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.52534E-02 ppm1 5.351 ppm2 0.800 CV 1 ASSI { 1051} (( segid " " and resid 116 and name HA )) ( segid " " and resid 45 and name HD2%) 3.200 1.300 1.300 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.52725E-02 ppm1 5.368 ppm2 0.516 CV 1 ASSI { 1054} ( segid " " and resid 116 and name HB% ) ( segid " " and resid 120 and name HD% ) 3.400 1.400 1.400 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.41645E-02 ppm1 1.103 ppm2 6.940 CV 1 ASSI { 1055} ( segid " " and resid 116 and name HB% ) (( segid " " and resid 120 and name HB1 )) 2.500 0.800 0.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 1.109 ppm2 3.271 CV 1 ASSI { 1057} ( segid " " and resid 116 and name HB% ) ( segid " " and resid 45 and name HD2%) 3.000 1.100 1.100 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 1.109 ppm2 0.513 CV 1 ASSI { 1059} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB1 )) 2.700 0.900 0.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 4.529 ppm2 3.005 CV 1 ASSI { 1060} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HB1 )) 1.800 0.400 0.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.39543E-02 ppm1 2.482 ppm2 2.989 CV 1 ASSI { 1065} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 44 and name HB2 )) 1.900 0.500 0.500 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.53680E-02 ppm1 2.484 ppm2 1.685 CV 1 ASSI { 1068} (( segid " " and resid 117 and name HB2 )) ( segid " " and resid 44 and name HD2%) 2.500 0.800 0.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.46612E-02 ppm1 2.488 ppm2 0.833 CV 1 ASSI { 1070} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB1 )) 2.500 0.800 0.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.43937E-02 ppm1 3.949 ppm2 3.590 CV 1 ASSI { 1071} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB2 )) 2.200 0.600 0.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.45275E-02 ppm1 3.960 ppm2 3.518 CV 1 ASSI { 1072} (( segid " " and resid 118 and name HA )) (( segid " " and resid 121 and name HB2 )) 2.100 0.500 0.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.50815E-02 ppm1 3.945 ppm2 2.640 CV 1 ASSI { 1073} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HB2 )) 1.900 0.500 0.500 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.37825E-02 ppm1 3.582 ppm2 3.512 CV 1 ASSI { 1075} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 135 and name HA )) 2.300 0.700 0.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 3.567 ppm2 3.870 CV 1 ASSI { 1077} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 122 and name HA )) 3.200 3.200 2.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 3.603 ppm2 4.506 CV 1 ASSI { 1078} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 137 and name HA )) 3.400 3.400 2.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 3.593 ppm2 4.651 CV 1 ASSI { 1079} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 117 and name HB1 )) 3.000 3.000 3.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.53489E-02 ppm1 3.612 ppm2 2.996 CV 1 ASSI { 1081} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 119 and name HB1 )) 2.800 2.800 3.200 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.57692E-02 ppm1 3.603 ppm2 1.621 CV 1 ASSI { 1084} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.600 0.900 0.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 3.989 ppm2 2.038 CV 1 OR { 1084} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 1088} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HE2 )) 2.000 0.500 0.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.47567E-02 ppm1 1.634 ppm2 2.767 CV 1 ASSI { 1089} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HE2 )) 3.200 1.300 1.300 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.50241E-02 ppm1 1.271 ppm2 2.772 CV 1 ASSI { 1090} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 117 and name HB2 )) 3.800 1.800 1.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.53299E-02 ppm1 1.631 ppm2 2.423 CV 1 ASSI { 1091} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 117 and name HB2 )) 3.900 1.900 1.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.54635E-02 ppm1 1.260 ppm2 2.489 CV 1 ASSI { 1092} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HA )) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.35532E-02 ppm1 1.643 ppm2 3.969 CV 1 ASSI { 1093} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.600 0.900 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.38588E-02 ppm1 1.264 ppm2 3.970 CV 1 ASSI { 1095} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 120 and name HA )) 3.300 3.300 2.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 1.658 ppm2 4.780 CV 1 ASSI { 1096} (( segid " " and resid 119 and name HB1 )) ( segid " " and resid 120 and name HD% ) 3.600 1.600 1.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.54445E-02 ppm1 1.613 ppm2 6.924 CV 1 ASSI { 1097} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 120 and name HD% ) 3.300 1.300 1.300 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 1.274 ppm2 6.920 CV 1 ASSI { 1098} (( segid " " and resid 119 and name HB2 )) ( segid " " and resid 120 and name HE% ) 3.200 1.300 1.300 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.58074E-02 ppm1 1.282 ppm2 6.705 CV 1 ASSI { 1099} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HG1 )) 2.700 0.900 0.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 1.634 ppm2 0.933 CV 1 ASSI { 1100} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HG1 )) 2.200 0.600 0.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 1.263 ppm2 0.935 CV 1 ASSI { 1101} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HG2 )) 2.600 0.900 0.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 1.259 ppm2 0.626 CV 1 ASSI { 1102} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HG2 )) 2.300 0.600 0.600 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.42027E-02 ppm1 1.641 ppm2 0.625 CV 1 ASSI { 1105} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HD2 )) 2.200 0.600 0.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 0.941 ppm2 1.385 CV 1 ASSI { 1106} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HD2 )) 2.300 0.700 0.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.37633E-02 ppm1 0.624 ppm2 1.382 CV 1 ASSI { 1108} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 83 and name HG1 )) 3.400 1.400 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.43746E-02 ppm1 0.948 ppm2 2.186 CV 1 ASSI { 1109} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HE2 )) 3.100 1.200 1.200 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 0.933 ppm2 2.766 CV 1 ASSI { 1110} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HE1 )) 2.200 0.600 0.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.42982E-02 ppm1 0.620 ppm2 2.769 CV 1 OR { 1110} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HE2 )) ASSI { 1111} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HA )) 2.900 1.000 1.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.46421E-02 ppm1 0.619 ppm2 3.971 CV 1 ASSI { 1112} (( segid " " and resid 119 and name HG1 )) ( segid " " and resid 120 and name HE% ) 2.400 0.700 0.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 0.937 ppm2 6.703 CV 1 ASSI { 1113} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 120 and name HE% ) 3.100 1.200 1.200 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.51197E-02 ppm1 0.618 ppm2 6.701 CV 1 ASSI { 1114} (( segid " " and resid 119 and name HG1 )) ( segid " " and resid 120 and name HD% ) 2.100 0.600 0.600 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 0.939 ppm2 6.951 CV 1 ASSI { 1115} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 120 and name HD% ) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.54445E-02 ppm1 0.626 ppm2 6.936 CV 1 ASSI { 1116} ( segid " " and resid 86 and name HD1%) ( segid " " and resid 95 and name HG1%) 3.500 1.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.43365E-02 ppm1 0.952 ppm2 0.326 CV 1 ASSI { 1117} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HB1 )) 2.700 0.900 0.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 1.394 ppm2 1.648 CV 1 OR { 1117} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HB1 )) ASSI { 1118} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HE1 )) 2.500 0.800 0.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.37825E-02 ppm1 1.391 ppm2 2.766 CV 1 OR { 1118} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HE2 )) OR { 1118} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HE2 )) OR { 1118} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HE1 )) ASSI { 1120} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HD1 )) 2.100 0.500 0.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.37633E-02 ppm1 1.470 ppm2 1.797 CV 1 OR { 1120} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HB1 )) ASSI { 1124} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.50432E-02 ppm1 1.464 ppm2 5.942 CV 1 ASSI { 1125} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB1 )) 2.700 0.900 0.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.50051E-02 ppm1 4.767 ppm2 3.875 CV 1 ASSI { 1127} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB2 )) 2.500 0.800 0.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.55591E-02 ppm1 4.772 ppm2 3.795 CV 1 ASSI { 1128} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 120 and name HB2 )) 1.900 0.500 0.500 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 3.271 ppm2 2.568 CV 1 ASSI { 1132} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 120 and name HE% ) 3.100 1.200 1.200 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.53680E-02 ppm1 2.554 ppm2 6.704 CV 1 ASSI { 1133} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 120 and name HD% ) 2.300 0.600 0.600 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 2.564 ppm2 6.936 CV 1 ASSI { 1134} (( segid " " and resid 120 and name HB1 )) ( segid " " and resid 120 and name HD% ) 2.300 0.700 0.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.45466E-02 ppm1 3.279 ppm2 6.935 CV 1 ASSI { 1136} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 97 and name HB1 )) 2.900 1.000 1.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.50624E-02 ppm1 3.291 ppm2 2.277 CV 1 OR { 1136} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 97 and name HB2 )) ASSI { 1137} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 116 and name HB% ) 2.300 0.600 0.600 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.45848E-02 ppm1 2.562 ppm2 1.124 CV 1 ASSI { 1138} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 44 and name HD1%) 3.600 1.600 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.53107E-02 ppm1 3.278 ppm2 0.961 CV 1 ASSI { 1140} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HB2 )) 1.900 0.500 0.500 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.45657E-02 ppm1 3.255 ppm2 2.652 CV 1 ASSI { 1142} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 3.252 ppm2 3.955 CV 1 ASSI { 1144} (( segid " " and resid 121 and name HB1 )) (( segid " " and resid 121 and name HA )) 2.200 0.600 0.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.53680E-02 ppm1 3.252 ppm2 4.467 CV 1 ASSI { 1145} (( segid " " and resid 121 and name HB2 )) (( segid " " and resid 121 and name HA )) 2.400 0.700 0.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.49477E-02 ppm1 2.643 ppm2 4.465 CV 1 ASSI { 1146} (( segid " " and resid 121 and name HB1 )) ( segid " " and resid 122 and name HE% ) 2.500 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.59794E-02 ppm1 3.248 ppm2 6.648 CV 1 ASSI { 1147} (( segid " " and resid 121 and name HB2 )) ( segid " " and resid 122 and name HE% ) 3.200 3.200 2.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.60558E-02 ppm1 2.644 ppm2 6.632 CV 1 ASSI { 1148} (( segid " " and resid 121 and name HB1 )) ( segid " " and resid 122 and name HD% ) 2.200 0.600 0.600 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.61130E-02 ppm1 3.237 ppm2 7.118 CV 1 ASSI { 1149} (( segid " " and resid 121 and name HB2 )) ( segid " " and resid 122 and name HD% ) 3.100 1.200 1.200 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.54635E-02 ppm1 2.640 ppm2 7.104 CV 1 ASSI { 1157} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HB2 )) 2.000 0.500 0.500 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 3.080 ppm2 2.713 CV 1 ASSI { 1159} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 126 and name HA2 )) 2.500 0.800 0.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.50815E-02 ppm1 3.073 ppm2 3.510 CV 1 ASSI { 1160} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 126 and name HA2 )) 2.300 0.600 0.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.54826E-02 ppm1 2.695 ppm2 3.507 CV 1 ASSI { 1161} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 126 and name HA1 )) 3.000 1.100 1.100 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.52343E-02 ppm1 3.082 ppm2 3.820 CV 1 ASSI { 1162} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 126 and name HA1 )) 3.200 1.300 1.300 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.56736E-02 ppm1 2.736 ppm2 3.823 CV 1 ASSI { 1163} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 127 and name HA )) 2.800 1.000 1.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.48140E-02 ppm1 2.720 ppm2 4.530 CV 1 ASSI { 1164} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 122 and name HD% ) 2.500 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 3.073 ppm2 7.109 CV 1 ASSI { 1165} (( segid " " and resid 122 and name HB2 )) ( segid " " and resid 122 and name HD% ) 2.500 0.800 0.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 2.718 ppm2 7.111 CV 1 ASSI { 1166} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 122 and name HE% ) 3.200 1.300 1.300 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.64187E-02 ppm1 3.090 ppm2 6.638 CV 1 ASSI { 1172} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 38 and name HA )) 4.000 2.000 2.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.55017E-02 ppm1 4.151 ppm2 4.745 CV 1 ASSI { 1173} (( segid " " and resid 123 and name HA1 )) (( segid " " and resid 123 and name HA2 )) 1.900 0.500 0.500 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 4.143 ppm2 3.593 CV 1 ASSI { 1174} (( segid " " and resid 123 and name HA2 )) (( segid " " and resid 119 and name HA )) 3.300 1.400 1.400 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.46612E-02 ppm1 3.564 ppm2 3.956 CV 1 ASSI { 1176} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 40 and name HA )) 3.100 3.100 2.900 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.54635E-02 ppm1 3.604 ppm2 4.643 CV 1 ASSI { 1177} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 38 and name HA )) 3.100 3.100 2.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.53871E-02 ppm1 3.580 ppm2 4.741 CV 1 ASSI { 1179} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HA )) 3.200 3.200 2.800 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.50051E-02 ppm1 3.970 ppm2 5.191 CV 1 ASSI { 1181} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 107 and name HB1 )) 1.900 0.500 0.500 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.47950E-02 ppm1 3.986 ppm2 2.572 CV 1 ASSI { 1182} (( segid " " and resid 124 and name HA )) (( segid " " and resid 134 and name HB1 )) 2.500 2.500 3.500 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.56928E-02 ppm1 3.956 ppm2 2.294 CV 1 ASSI { 1183} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB1 )) 2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.38397E-02 ppm1 3.985 ppm2 2.116 CV 1 ASSI { 1186} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HG2 )) 2.700 2.700 3.300 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.57501E-02 ppm1 3.979 ppm2 1.535 CV 1 ASSI { 1187} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HB2 )) 2.400 0.700 0.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.28846E-02 ppm1 2.113 ppm2 1.890 CV 1 ASSI { 1195} (( segid " " and resid 145 and name HB1 )) ( segid " " and resid 143 and name HG2%) 2.800 1.000 1.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.42218E-02 ppm1 1.883 ppm2 1.085 CV 1 ASSI { 1200} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HG1 )) 2.900 1.100 1.100 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.47950E-02 ppm1 4.149 ppm2 2.548 CV 1 ASSI { 1201} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HG2 )) 3.000 1.100 1.100 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 4.146 ppm2 2.420 CV 1 ASSI { 1202} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB1 )) 2.500 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.43365E-02 ppm1 4.145 ppm2 2.271 CV 1 ASSI { 1203} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB2 )) 3.000 1.100 1.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.42027E-02 ppm1 4.146 ppm2 2.132 CV 1 ASSI { 1207} (( segid " " and resid 125 and name HB1 )) (( segid " " and resid 125 and name HG2 )) 2.500 0.800 0.800 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.39353E-02 ppm1 2.264 ppm2 2.481 CV 1 ASSI { 1208} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HG2 )) 3.000 1.200 1.200 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.34959E-02 ppm1 2.137 ppm2 2.400 CV 1 ASSI { 1209} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name HG1 )) 2.500 0.800 0.800 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.42791E-02 ppm1 2.140 ppm2 2.549 CV 1 ASSI { 1216} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 120 and name HD% ) 2.300 0.700 0.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.39162E-02 ppm1 2.266 ppm2 6.936 CV 1 OR { 1216} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 120 and name HD% ) ASSI { 1217} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HB2 )) 2.800 1.000 1.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 2.122 ppm2 1.651 CV 1 ASSI { 1222} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 28 and name HB% ) 3.500 1.500 1.500 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.55972E-02 ppm1 2.398 ppm2 1.361 CV 1 ASSI { 1223} (( segid " " and resid 125 and name HG1 )) (( segid " " and resid 124 and name HB2 )) 2.700 2.700 3.300 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.59794E-02 ppm1 2.567 ppm2 1.928 CV 1 OR { 1223} (( segid " " and resid 125 and name HG1 )) (( segid " " and resid 124 and name HG2 )) ASSI { 1236} (( segid " " and resid 127 and name HA )) (( segid " " and resid 131 and name HB2 )) 3.600 3.600 2.400 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.42982E-02 ppm1 4.512 ppm2 2.918 CV 1 OR { 1236} (( segid " " and resid 127 and name HA )) (( segid " " and resid 131 and name HB1 )) ASSI { 1237} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HB2 )) 1.900 0.500 0.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.35532E-02 ppm1 3.002 ppm2 2.690 CV 1 ASSI { 1239} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 122 and name HB1 )) 3.100 1.200 1.200 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.52725E-02 ppm1 3.002 ppm2 3.127 CV 1 ASSI { 1241} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HA )) 2.400 0.700 0.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 2.690 ppm2 4.506 CV 1 ASSI { 1243} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 130 and name HA )) 3.400 3.400 2.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.60749E-02 ppm1 2.711 ppm2 4.786 CV 1 ASSI { 1244} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 132 and name HB )) 2.900 1.100 1.100 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 3.007 ppm2 1.144 CV 1 ASSI { 1245} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 132 and name HB )) 2.800 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.44892E-02 ppm1 2.692 ppm2 1.145 CV 1 ASSI { 1246} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 132 and name HG11)) 2.600 0.800 0.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.54062E-02 ppm1 2.691 ppm2 1.014 CV 1 ASSI { 1247} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 132 and name HG11)) 2.400 0.700 0.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.51579E-02 ppm1 2.996 ppm2 1.006 CV 1 ASSI { 1248} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 132 and name HG2%) 3.400 1.500 1.500 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.51770E-02 ppm1 3.001 ppm2 0.933 CV 1 ASSI { 1249} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 132 and name HG2%) 3.400 1.400 1.400 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.53871E-02 ppm1 2.692 ppm2 0.936 CV 1 ASSI { 1250} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 132 and name HD1%) 2.400 0.700 0.700 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.48140E-02 ppm1 2.696 ppm2 0.460 CV 1 ASSI { 1251} (( segid " " and resid 127 and name HB1 )) ( segid " " and resid 132 and name HD1%) 2.200 0.600 0.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.47376E-02 ppm1 3.006 ppm2 0.458 CV 1 ASSI { 1257} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HD1 )) 2.600 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.34768E-02 ppm1 1.691 ppm2 3.241 CV 1 ASSI { 1259} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 127 and name HA )) 3.500 1.600 1.600 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.41072E-02 ppm1 1.694 ppm2 4.504 CV 1 ASSI { 1262} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 129 and name HA )) 2.800 1.000 1.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 3.765 ppm2 4.506 CV 1 ASSI { 1263} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 130 and name HA )) 3.000 3.000 3.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.40499E-02 ppm1 3.765 ppm2 4.741 CV 1 ASSI { 1264} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 130 and name HA )) 3.300 1.400 1.400 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.40117E-02 ppm1 3.603 ppm2 4.742 CV 1 ASSI { 1266} (( segid " " and resid 129 and name HB1 )) (( segid " " and resid 128 and name HD1 )) 1.500 1.500 4.500 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.54254E-02 ppm1 3.766 ppm2 3.189 CV 1 ASSI { 1271} (( segid " " and resid 29 and name HA )) ( segid " " and resid 30 and name HB% ) 3.200 1.300 1.300 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.57883E-02 ppm1 4.745 ppm2 1.548 CV 1 ASSI { 1272} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HG2 )) 3.200 1.300 1.300 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.58839E-02 ppm1 4.749 ppm2 1.438 CV 1 ASSI { 1273} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.60175E-02 ppm1 4.729 ppm2 2.181 CV 1 ASSI { 1282} (( segid " " and resid 97 and name HG1 )) (( segid " " and resid 101 and name HG )) 2.200 0.600 0.600 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.59602E-02 ppm1 2.655 ppm2 1.839 CV 1 ASSI { 1286} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.49669E-02 ppm1 1.887 ppm2 5.544 CV 1 ASSI { 1290} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 29 and name HA )) 3.500 1.500 1.500 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.29610E-02 ppm1 3.664 ppm2 4.740 CV 1 ASSI { 1291} (( segid " " and resid 31 and name HD1 )) (( segid " " and resid 29 and name HA )) 3.400 1.400 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.29037E-02 ppm1 3.814 ppm2 4.744 CV 1 ASSI { 1292} (( segid " " and resid 84 and name HD1 )) (( segid " " and resid 83 and name HA )) 2.400 0.700 0.700 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 3.804 ppm2 5.037 CV 1 ASSI { 1293} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HG2 )) 2.500 0.800 0.800 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.37061E-02 ppm1 3.651 ppm2 2.027 CV 1 ASSI { 1294} (( segid " " and resid 25 and name HD1 )) (( segid " " and resid 25 and name HG1 )) 2.600 0.800 0.800 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.30183E-02 ppm1 3.808 ppm2 2.027 CV 1 ASSI { 1299} (( segid " " and resid 61 and name HA )) ( segid " " and resid 61 and name HG1%) 2.800 0.900 0.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.41645E-02 ppm1 4.412 ppm2 0.937 CV 1 ASSI { 1301} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HB2 )) 2.200 0.600 0.600 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.38016E-02 ppm1 2.977 ppm2 2.858 CV 1 ASSI { 1303} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HB1 )) 2.200 0.600 0.600 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.40117E-02 ppm1 2.868 ppm2 3.323 CV 1 ASSI { 1306} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.47950E-02 ppm1 2.878 ppm2 4.575 CV 1 ASSI { 1307} (( segid " " and resid 131 and name HB1 )) ( segid " " and resid 131 and name HD% ) 2.500 0.800 0.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.50241E-02 ppm1 2.988 ppm2 7.193 CV 1 ASSI { 1308} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 131 and name HD% ) 2.700 0.900 0.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 2.857 ppm2 7.187 CV 1 ASSI { 1318} (( segid " " and resid 132 and name HB )) (( segid " " and resid 132 and name HA )) 2.500 0.800 0.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.51197E-02 ppm1 1.136 ppm2 4.111 CV 1 ASSI { 1319} (( segid " " and resid 132 and name HB )) ( segid " " and resid 122 and name HD% ) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.53680E-02 ppm1 1.157 ppm2 7.120 CV 1 ASSI { 1320} (( segid " " and resid 132 and name HB )) (( segid " " and resid 132 and name HG11)) 2.400 0.700 0.700 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 1.155 ppm2 1.017 CV 1 ASSI { 1322} (( segid " " and resid 132 and name HB )) ( segid " " and resid 132 and name HD1%) 2.600 0.800 0.800 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 1.144 ppm2 0.457 CV 1 ASSI { 1325} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 124 and name HD2 )) 3.300 1.400 1.400 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 2.293 ppm2 3.604 CV 1 ASSI { 1328} (( segid " " and resid 134 and name HB1 )) (( segid " " and resid 119 and name HB1 )) 3.000 3.000 3.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 2.296 ppm2 1.619 CV 1 ASSI { 1336} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HA )) 2.500 0.800 0.800 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 3.215 ppm2 3.868 CV 1 ASSI { 1338} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 118 and name HB1 )) 3.100 3.100 2.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.53489E-02 ppm1 3.217 ppm2 3.603 CV 1 ASSI { 1349} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 137 and name HB% ) 2.800 2.800 3.200 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.58647E-02 ppm1 3.173 ppm2 1.442 CV 1 ASSI { 1350} (( segid " " and resid 135 and name HB1 )) ( segid " " and resid 137 and name HB% ) 2.900 2.900 3.100 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.58839E-02 ppm1 3.263 ppm2 1.442 CV 1 OR { 1350} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 137 and name HB% ) ASSI { 1355} ( segid " " and resid 136 and name HB% ) (( segid " " and resid 136 and name HA )) 2.600 0.800 0.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.39735E-02 ppm1 1.271 ppm2 4.407 CV 1 ASSI { 1356} ( segid " " and resid 136 and name HB% ) (( segid " " and resid 74 and name HA )) 2.900 2.900 3.100 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 1.260 ppm2 4.770 CV 1 ASSI { 1357} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 80 and name HG1%) 2.900 1.000 1.000 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.30566E-02 ppm1 1.271 ppm2 0.935 CV 1 ASSI { 1358} ( segid " " and resid 136 and name HB% ) ( segid " " and resid 74 and name HD2%) 3.200 1.300 1.300 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.29419E-02 ppm1 1.264 ppm2 0.856 CV 1 ASSI { 1359} ( segid " " and resid 136 and name HB% ) ( segid " " and resid 132 and name HD1%) 3.500 1.500 1.500 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 1.272 ppm2 0.458 CV 1 ASSI { 1360} (( segid " " and resid 137 and name HA )) ( segid " " and resid 137 and name HB% ) 2.400 0.700 0.700 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.48331E-02 ppm1 4.644 ppm2 1.457 CV 1 ASSI { 1362} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 6 and name HA )) 2.900 1.000 1.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 1.404 ppm2 4.296 CV 1 ASSI { 1363} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB1 )) 2.600 0.800 0.800 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 5.244 ppm2 1.904 CV 1 ASSI { 1365} (( segid " " and resid 138 and name HA )) ( segid " " and resid 138 and name HD2%) 3.300 1.400 1.400 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.34004E-02 ppm1 5.245 ppm2 0.861 CV 1 ASSI { 1372} (( segid " " and resid 66 and name HA )) (( segid " " and resid 146 and name HB )) 3.000 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.57692E-02 ppm1 5.084 ppm2 4.119 CV 1 ASSI { 1373} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB1 )) 2.700 0.900 0.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.45848E-02 ppm1 5.092 ppm2 2.892 CV 1 ASSI { 1374} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HB2 )) 2.400 0.700 0.700 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.59411E-02 ppm1 5.094 ppm2 2.683 CV 1 ASSI { 1376} (( segid " " and resid 139 and name HA )) ( segid " " and resid 140 and name HD1%) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.57501E-02 ppm1 5.071 ppm2 0.957 CV 1 ASSI { 1382} (( segid " " and resid 139 and name HB2 )) (( segid " " and resid 73 and name HB1 )) 3.000 1.100 1.100 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.46230E-02 ppm1 2.687 ppm2 3.726 CV 1 ASSI { 1386} (( segid " " and resid 139 and name HB1 )) ( segid " " and resid 115 and name HG2%) 3.200 1.300 1.300 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.51961E-02 ppm1 2.890 ppm2 1.121 CV 1 ASSI { 1387} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 115 and name HG2%) 2.700 0.900 0.900 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.51006E-02 ppm1 2.684 ppm2 1.124 CV 1 ASSI { 1388} (( segid " " and resid 139 and name HB1 )) ( segid " " and resid 140 and name HD2%) 3.100 3.100 2.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.63041E-02 ppm1 2.880 ppm2 0.730 CV 1 ASSI { 1390} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) 2.400 0.700 0.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.45084E-02 ppm1 5.293 ppm2 1.304 CV 1 ASSI { 1391} (( segid " " and resid 140 and name HA )) ( segid " " and resid 140 and name HD1%) 3.300 1.400 1.400 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.36296E-02 ppm1 5.290 ppm2 0.940 CV 1 ASSI { 1397} (( segid " " and resid 44 and name HB1 )) ( segid " " and resid 120 and name HE% ) 3.600 1.600 1.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.44511E-02 ppm1 1.964 ppm2 6.703 CV 1 ASSI { 1398} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 120 and name HE% ) 3.100 1.200 1.200 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 1.698 ppm2 6.703 CV 1 ASSI { 1400} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 117 and name HB1 )) 3.500 1.600 1.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.54062E-02 ppm1 1.952 ppm2 2.998 CV 1 ASSI { 1401} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 117 and name HB1 )) 3.100 1.200 1.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.52343E-02 ppm1 1.691 ppm2 2.989 CV 1 ASSI { 1402} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 140 and name HD1%) 3.200 1.300 1.300 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 1.931 ppm2 0.965 CV 1 ASSI { 1404} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 40 and name HD2%) 3.000 1.200 1.200 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.43746E-02 ppm1 1.705 ppm2 0.594 CV 1 ASSI { 1405} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 45 and name HD2%) 2.600 0.800 0.800 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 1.696 ppm2 0.518 CV 1 ASSI { 1410} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 70 and name HA )) 3.400 1.500 1.500 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.36106E-02 ppm1 0.947 ppm2 5.376 CV 1 ASSI { 1412} ( segid " " and resid 140 and name HD2%) ( segid " " and resid 72 and name HG2%) 2.800 1.000 1.000 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 0.707 ppm2 1.135 CV 1 ASSI { 1417} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HA )) 2.400 0.700 0.700 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 2.046 ppm2 4.396 CV 1 OR { 1417} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HA )) ASSI { 1419} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HA )) 2.800 1.000 1.000 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.40690E-02 ppm1 1.969 ppm2 5.230 CV 1 ASSI { 1421} (( segid " " and resid 141 and name HG2 )) ( segid " " and resid 111 and name HG2%) 2.600 0.800 0.800 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 1.969 ppm2 1.198 CV 1 OR { 1421} (( segid " " and resid 141 and name HG1 )) ( segid " " and resid 111 and name HG2%) ASSI { 1422} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 67 and name HG2%) 3.600 1.600 1.600 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.34959E-02 ppm1 2.045 ppm2 1.067 CV 1 OR { 1422} (( segid " " and resid 85 and name HG1 )) ( segid " " and resid 67 and name HG2%) ASSI { 1423} (( segid " " and resid 142 and name HA )) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.43746E-02 ppm1 5.068 ppm2 5.380 CV 1 ASSI { 1427} (( segid " " and resid 142 and name HA )) ( segid " " and resid 140 and name HD1%) 3.000 1.200 1.200 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.49860E-02 ppm1 5.066 ppm2 0.951 CV 1 ASSI { 1428} (( segid " " and resid 142 and name HA )) ( segid " " and resid 142 and name HG2%) 3.000 1.100 1.100 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.41645E-02 ppm1 5.074 ppm2 0.850 CV 1 ASSI { 1431} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 142 and name HB )) 2.600 0.800 0.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.28082E-02 ppm1 0.854 ppm2 1.969 CV 1 ASSI { 1433} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 117 and name HB1 )) 3.400 1.400 1.400 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.42601E-02 ppm1 0.835 ppm2 2.994 CV 1 ASSI { 1434} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 0.841 ppm2 3.337 CV 1 ASSI { 1442} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 141 and name HA )) 3.400 1.400 1.400 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.38207E-02 ppm1 0.855 ppm2 5.227 CV 1 ASSI { 1446} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB )) 2.300 0.700 0.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.48905E-02 ppm1 5.615 ppm2 4.086 CV 1 ASSI { 1447} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB )) 2.500 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.49286E-02 ppm1 5.622 ppm2 3.781 CV 1 ASSI { 1450} (( segid " " and resid 143 and name HA )) (( segid " " and resid 144 and name HB2 )) 3.400 1.500 1.500 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.61130E-02 ppm1 5.615 ppm2 1.326 CV 1 ASSI { 1455} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 88 and name HE% ) 2.400 0.700 0.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.36487E-02 ppm1 1.097 ppm2 7.179 CV 1 ASSI { 1456} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 36 and name HH2 )) 3.200 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 1.120 ppm2 7.014 CV 1 ASSI { 1457} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 88 and name HZ )) 2.800 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.50241E-02 ppm1 1.105 ppm2 6.856 CV 1 ASSI { 1458} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 66 and name HG2%) 2.500 0.800 0.800 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.44702E-02 ppm1 1.085 ppm2 0.023 CV 1 ASSI { 1459} (( segid " " and resid 94 and name HA )) ( segid " " and resid 95 and name HG2%) 3.200 1.300 1.300 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.56546E-02 ppm1 4.682 ppm2 0.121 CV 1 ASSI { 1460} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) 2.400 0.700 0.700 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.62659E-02 ppm1 4.681 ppm2 2.729 CV 1 ASSI { 1462} (( segid " " and resid 48 and name HA )) (( segid " " and resid 36 and name HZ3 )) 2.900 2.900 3.100 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.66479E-02 ppm1 4.675 ppm2 7.032 CV 1 OR { 1462} (( segid " " and resid 48 and name HA )) (( segid " " and resid 36 and name HH2 )) ASSI { 1464} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 144 and name HB1 )) 2.000 0.500 0.500 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 1.310 ppm2 2.367 CV 1 ASSI { 1474} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 99 and name HB1 )) 2.400 0.700 0.700 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.37442E-02 ppm1 0.748 ppm2 1.499 CV 1 ASSI { 1475} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 95 and name HB )) 2.600 0.800 0.800 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.39543E-02 ppm1 0.753 ppm2 1.809 CV 1 ASSI { 1478} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 88 and name HZ )) 2.700 0.900 0.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.46230E-02 ppm1 0.752 ppm2 6.852 CV 1 ASSI { 1480} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 95 and name HG1%) 2.400 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.38971E-02 ppm1 0.745 ppm2 0.325 CV 1 ASSI { 1481} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 95 and name HG2%) 2.700 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.37633E-02 ppm1 0.744 ppm2 0.099 CV 1 ASSI { 1483} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) 2.400 0.700 0.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.46039E-02 ppm1 4.330 ppm2 1.879 CV 1 ASSI { 1485} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG1 )) 3.200 1.300 1.300 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.52725E-02 ppm1 4.330 ppm2 1.580 CV 1 ASSI { 1487} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 2.200 0.600 0.600 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.30947E-02 ppm1 1.845 ppm2 1.703 CV 1 ASSI { 1502} (( segid " " and resid 66 and name HB )) ( segid " " and resid 66 and name HG2%) 2.400 0.700 0.700 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.39926E-02 ppm1 1.695 ppm2 0.026 CV 1 ASSI { 1515} (( segid " " and resid 146 and name HA )) ( segid " " and resid 146 and name HG2%) 2.700 0.900 0.900 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.49477E-02 ppm1 4.523 ppm2 1.115 CV 1 ASSI { 1516} (( segid " " and resid 146 and name HA )) ( segid " " and resid 148 and name HG1%) 3.300 3.300 2.700 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.49477E-02 ppm1 4.517 ppm2 0.840 CV 1 ASSI { 1519} (( segid " " and resid 146 and name HB )) ( segid " " and resid 148 and name HG1%) 3.000 1.100 1.100 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.45466E-02 ppm1 4.060 ppm2 0.901 CV 1 ASSI { 1521} (( segid " " and resid 146 and name HB )) ( segid " " and resid 66 and name HG2%) 1.500 1.500 4.500 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.58456E-02 ppm1 4.065 ppm2 0.088 CV 1 ASSI { 1524} ( segid " " and resid 146 and name HG2%) (( segid " " and resid 147 and name HA )) 3.100 1.200 1.200 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 1.129 ppm2 5.021 CV 1 ASSI { 1525} ( segid " " and resid 147 and name HB% ) ( segid " " and resid 66 and name HG1%) 2.800 1.000 1.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.33431E-02 ppm1 1.132 ppm2 0.680 CV 1 ASSI { 1529} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG2 )) 2.700 0.900 0.900 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.46994E-02 ppm1 5.036 ppm2 2.188 CV 1 OR { 1529} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG1 )) ASSI { 1536} ( segid " " and resid 147 and name HB% ) ( segid " " and resid 148 and name HG1%) 3.400 1.500 1.500 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.31329E-02 ppm1 1.118 ppm2 0.848 CV 1 ASSI { 1537} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB )) 2.600 0.800 0.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.49286E-02 ppm1 4.597 ppm2 2.125 CV 1 ASSI { 1538} (( segid " " and resid 148 and name HA )) ( segid " " and resid 148 and name HG2%) 2.600 0.900 0.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.51579E-02 ppm1 4.589 ppm2 0.901 CV 1 OR { 1538} (( segid " " and resid 148 and name HA )) ( segid " " and resid 148 and name HG1%) ASSI { 1541} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HG1 )) 1.900 0.500 0.500 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.39162E-02 ppm1 2.131 ppm2 2.491 CV 1 ASSI { 1542} (( segid " " and resid 148 and name HB )) ( segid " " and resid 148 and name HG2%) 2.700 0.900 0.900 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.35723E-02 ppm1 2.098 ppm2 0.904 CV 1 ASSI { 1553} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 112 and name HB% ) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.34959E-02 ppm1 0.914 ppm2 1.545 CV 1 ASSI { 1559} (( segid " " and resid 149 and name HA )) (( segid " " and resid 150 and name HA )) 3.000 3.000 3.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.61704E-02 ppm1 4.855 ppm2 4.183 CV 1 ASSI { 1569} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB2 )) 2.300 0.600 0.600 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.43556E-02 ppm1 4.193 ppm2 1.319 CV 1 ASSI { 1571} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HA )) 2.900 1.100 1.100 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.32476E-02 ppm1 1.595 ppm2 4.172 CV 1 ASSI { 1572} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HA )) 2.700 0.900 0.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.40308E-02 ppm1 1.576 ppm2 4.303 CV 1 ASSI { 1578} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 132 and name HD1%) 2.600 0.800 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.33048E-02 ppm1 0.864 ppm2 0.461 CV 1 ASSI { 1} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 3.600 1.600 1.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 8.270 ppm2 9.583 CV 1 ASSI { 1} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HN )) 3.400 3.400 2.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 8.278 ppm2 8.541 CV 1 ASSI { 5} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HE3 )) 3.600 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.269 ppm2 7.169 CV 1 ASSI { 7} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HD2 )) 3.700 1.700 1.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 8.278 ppm2 3.665 CV 1 ASSI { 10} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HG2 )) 3.500 1.500 1.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 8.278 ppm2 2.348 CV 1 OR { 10} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 13} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HE3 )) 3.900 1.900 1.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 9.580 ppm2 7.202 CV 1 ASSI { 14} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HA )) 3.700 1.700 1.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 9.579 ppm2 4.794 CV 1 ASSI { 17} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.700 0.900 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 9.581 ppm2 3.058 CV 1 ASSI { 18} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.17788E-02 ppm1 9.580 ppm2 2.852 CV 1 ASSI { 21} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HG )) 3.900 1.900 1.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 9.578 ppm2 1.485 CV 1 ASSI { 22} (( segid " " and resid 37 and name HN )) ( segid " " and resid 37 and name HD1%) 4.000 2.000 2.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 9.580 ppm2 0.972 CV 1 ASSI { 24} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 3.600 1.600 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.981 ppm2 9.590 CV 1 ASSI { 25} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HN )) 3.600 3.600 2.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 8.982 ppm2 8.697 CV 1 ASSI { 27} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 3.300 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 8.982 ppm2 8.300 CV 1 ASSI { 28} (( segid " " and resid 38 and name HN )) (( segid " " and resid 41 and name HN )) 3.500 1.600 1.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.23132E-02 ppm1 8.980 ppm2 7.536 CV 1 ASSI { 35} (( segid " " and resid 38 and name HN )) (( segid " " and resid 46 and name HD1 )) 3.100 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 8.981 ppm2 2.800 CV 1 ASSI { 38} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 8.985 ppm2 1.914 CV 1 ASSI { 39} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.100 2.100 1.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.19179E-02 ppm1 8.982 ppm2 1.714 CV 1 ASSI { 40} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG )) 3.200 1.300 1.300 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 8.983 ppm2 1.480 CV 1 ASSI { 42} (( segid " " and resid 39 and name HN )) (( segid " " and resid 47 and name HN )) 3.500 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 8.294 ppm2 9.006 CV 1 ASSI { 43} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 8.296 ppm2 8.641 CV 1 ASSI { 44} (( segid " " and resid 39 and name HN )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.292 ppm2 5.918 CV 1 ASSI { 47} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) 3.500 1.600 1.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 8.292 ppm2 2.580 CV 1 OR { 47} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) ASSI { 50} (( segid " " and resid 39 and name HN )) (( segid " " and resid 45 and name HG )) 3.400 1.400 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 8.301 ppm2 1.225 CV 1 ASSI { 52} (( segid " " and resid 39 and name HN )) ( segid " " and resid 45 and name HD2%) 3.900 1.900 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 8.302 ppm2 0.516 CV 1 ASSI { 55} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HN )) 3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 8.633 ppm2 7.073 CV 1 ASSI { 56} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HD21)) 3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 8.631 ppm2 6.549 CV 1 ASSI { 57} (( segid " " and resid 40 and name HN )) (( segid " " and resid 46 and name HA )) 3.500 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.23132E-02 ppm1 8.637 ppm2 5.922 CV 1 ASSI { 58} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HA )) 3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 8.637 ppm2 4.735 CV 1 ASSI { 60} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HA1 )) 4.100 2.100 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 8.633 ppm2 4.137 CV 1 ASSI { 61} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HA2 )) 3.800 1.800 1.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 8.628 ppm2 3.605 CV 1 ASSI { 62} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 8.634 ppm2 3.465 CV 1 ASSI { 67} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD2%) 3.400 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 8.636 ppm2 0.575 CV 1 ASSI { 71} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HN )) 3.000 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 7.554 ppm2 8.244 CV 1 ASSI { 72} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HD22)) 3.600 1.600 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 7.555 ppm2 7.824 CV 1 ASSI { 74} (( segid " " and resid 41 and name HN )) (( segid " " and resid 38 and name HA )) 3.200 1.300 1.300 peak 74 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 7.559 ppm2 4.732 CV 1 ASSI { 75} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 7.559 ppm2 4.597 CV 1 ASSI { 79} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.600 1.600 1.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 7.561 ppm2 3.323 CV 1 ASSI { 80} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.600 1.600 1.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 7.557 ppm2 1.814 CV 1 ASSI { 81} (( segid " " and resid 41 and name HN )) (( segid " " and resid 37 and name HG )) 1.800 1.800 4.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 7.567 ppm2 1.467 CV 1 ASSI { 89} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HA )) 3.400 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 7.070 ppm2 4.730 CV 1 ASSI { 90} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) 3.100 1.200 1.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19765E-02 ppm1 7.070 ppm2 4.586 CV 1 ASSI { 92} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA2 )) 2.700 0.900 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 7.068 ppm2 3.602 CV 1 ASSI { 93} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA2 )) 4.500 2.500 1.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 7.068 ppm2 3.474 CV 1 ASSI { 94} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 7.070 ppm2 3.283 CV 1 ASSI { 97} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.100 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 7.068 ppm2 1.812 CV 1 ASSI { 98} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.000 1.100 1.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 7.069 ppm2 1.600 CV 1 ASSI { 99} (( segid " " and resid 42 and name HN )) ( segid " " and resid 45 and name HD2%) 4.000 2.000 2.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.24522E-02 ppm1 7.067 ppm2 0.467 CV 1 ASSI { 100} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HN )) 3.900 1.900 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.22107E-02 ppm1 9.875 ppm2 8.630 CV 1 ASSI { 101} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 9.872 ppm2 8.353 CV 1 ASSI { 106} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.400 1.400 1.400 peak 106 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 9.880 ppm2 4.866 CV 1 ASSI { 108} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA1 )) 3.100 1.200 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.14274E-02 ppm1 9.880 ppm2 4.046 CV 1 ASSI { 110} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA2 )) 2.600 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 9.880 ppm2 3.472 CV 1 ASSI { 111} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.700 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 9.881 ppm2 3.270 CV 1 ASSI { 112} (( segid " " and resid 43 and name HN )) (( segid " " and resid 38 and name HB1 )) 2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.24084E-02 ppm1 9.877 ppm2 2.568 CV 1 OR { 112} (( segid " " and resid 43 and name HN )) (( segid " " and resid 38 and name HB2 )) ASSI { 113} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.800 1.800 1.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 9.880 ppm2 1.956 CV 1 ASSI { 116} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HN )) 3.900 1.900 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 7.660 ppm2 8.636 CV 1 ASSI { 119} (( segid " " and resid 44 and name HN )) ( segid " " and resid 120 and name HE% ) 4.800 2.900 1.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 7.658 ppm2 6.687 CV 1 ASSI { 120} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HD21)) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.22107E-02 ppm1 7.658 ppm2 6.489 CV 1 ASSI { 121} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 3.800 1.800 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 7.652 ppm2 4.873 CV 1 ASSI { 122} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 7.654 ppm2 4.703 CV 1 ASSI { 124} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA1 )) 3.000 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 7.659 ppm2 4.160 CV 1 ASSI { 125} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.500 1.600 1.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 7.652 ppm2 2.767 CV 1 ASSI { 128} (( segid " " and resid 44 and name HN )) ( segid " " and resid 40 and name HD2%) 4.200 2.200 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 7.656 ppm2 0.601 CV 1 ASSI { 129} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HN )) 3.500 1.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.357 ppm2 8.676 CV 1 ASSI { 130} (( segid " " and resid 45 and name HN )) (( segid " " and resid 117 and name HN )) 3.300 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 8.362 ppm2 8.156 CV 1 ASSI { 133} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.600 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 8.355 ppm2 5.210 CV 1 ASSI { 135} (( segid " " and resid 45 and name HN )) (( segid " " and resid 38 and name HB1 )) 3.500 1.600 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 8.362 ppm2 2.682 CV 1 ASSI { 136} (( segid " " and resid 45 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.700 1.700 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 8.356 ppm2 2.477 CV 1 ASSI { 137} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 3.700 1.700 1.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 8.355 ppm2 0.483 CV 1 ASSI { 138} (( segid " " and resid 46 and name HN )) (( segid " " and resid 115 and name HN )) 2.700 0.900 0.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 8.814 ppm2 9.297 CV 1 ASSI { 139} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 3.500 1.500 1.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 8.810 ppm2 9.068 CV 1 ASSI { 141} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 8.817 ppm2 8.362 CV 1 ASSI { 142} (( segid " " and resid 46 and name HN )) (( segid " " and resid 117 and name HN )) 4.300 2.400 1.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 8.816 ppm2 8.160 CV 1 ASSI { 144} (( segid " " and resid 46 and name HN )) (( segid " " and resid 114 and name HA )) 3.300 1.400 1.400 peak 144 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.809 ppm2 5.610 CV 1 ASSI { 145} (( segid " " and resid 46 and name HN )) (( segid " " and resid 116 and name HA )) 3.700 1.700 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 8.815 ppm2 5.330 CV 1 ASSI { 147} (( segid " " and resid 46 and name HN )) (( segid " " and resid 38 and name HA )) 3.800 1.800 1.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 8.812 ppm2 4.767 CV 1 ASSI { 148} (( segid " " and resid 46 and name HN )) (( segid " " and resid 115 and name HB )) 3.000 1.100 1.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 8.810 ppm2 4.116 CV 1 ASSI { 149} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HD1 )) 4.100 2.100 1.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 8.820 ppm2 2.743 CV 1 ASSI { 150} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.15592E-02 ppm1 8.816 ppm2 1.761 CV 1 ASSI { 151} (( segid " " and resid 46 and name HN )) ( segid " " and resid 115 and name HG2%) 3.500 1.500 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 8.814 ppm2 1.101 CV 1 ASSI { 152} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) 3.000 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.15079E-02 ppm1 8.816 ppm2 0.791 CV 1 ASSI { 153} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD2%) 3.800 1.800 1.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 8.824 ppm2 0.540 CV 1 ASSI { 158} (( segid " " and resid 47 and name HN )) (( segid " " and resid 36 and name HE3 )) 3.000 1.100 1.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 9.014 ppm2 7.206 CV 1 ASSI { 159} (( segid " " and resid 47 and name HN )) (( segid " " and resid 36 and name HZ3 )) 3.500 1.600 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 9.012 ppm2 6.976 CV 1 ASSI { 160} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.900 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.12883E-02 ppm1 9.011 ppm2 5.923 CV 1 ASSI { 161} (( segid " " and resid 47 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.600 1.600 1.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 9.018 ppm2 3.056 CV 1 ASSI { 162} (( segid " " and resid 47 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 9.007 ppm2 2.850 CV 1 ASSI { 165} (( segid " " and resid 47 and name HN )) ( segid " " and resid 37 and name HD2%) 3.600 1.600 1.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 9.008 ppm2 0.964 CV 1 ASSI { 166} (( segid " " and resid 47 and name HN )) ( segid " " and resid 39 and name HD1%) 3.500 1.500 1.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.18520E-02 ppm1 9.014 ppm2 0.743 CV 1 OR { 166} (( segid " " and resid 47 and name HN )) ( segid " " and resid 39 and name HG2%) ASSI { 168} (( segid " " and resid 48 and name HN )) (( segid " " and resid 115 and name HN )) 4.000 2.000 2.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 9.517 ppm2 9.303 CV 1 ASSI { 170} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 3.400 1.400 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 9.521 ppm2 9.002 CV 1 ASSI { 172} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HE3 )) 2.800 1.000 1.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 9.522 ppm2 7.208 CV 1 ASSI { 173} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HZ3 )) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 9.520 ppm2 6.999 CV 1 OR { 173} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HH2 )) ASSI { 176} (( segid " " and resid 48 and name HN )) (( segid " " and resid 114 and name HA )) 3.200 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 9.521 ppm2 5.597 CV 1 ASSI { 177} (( segid " " and resid 48 and name HN )) (( segid " " and resid 112 and name HA )) 3.200 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 9.522 ppm2 5.169 CV 1 ASSI { 178} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.900 1.100 1.100 peak 178 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 9.520 ppm2 4.652 CV 1 ASSI { 179} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HA )) 3.300 3.300 2.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 9.530 ppm2 3.938 CV 1 ASSI { 181} (( segid " " and resid 48 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.100 3.100 2.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.26060E-02 ppm1 9.523 ppm2 3.003 CV 1 ASSI { 182} (( segid " " and resid 48 and name HN )) (( segid " " and resid 113 and name HG1 )) 3.500 3.500 2.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 9.520 ppm2 2.662 CV 1 ASSI { 183} (( segid " " and resid 48 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.000 3.000 3.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 9.529 ppm2 2.536 CV 1 ASSI { 184} (( segid " " and resid 48 and name HN )) (( segid " " and resid 113 and name HB1 )) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.21229E-02 ppm1 9.521 ppm2 2.003 CV 1 ASSI { 185} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.600 1.700 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 9.521 ppm2 1.767 CV 1 ASSI { 187} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) 2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 9.521 ppm2 1.362 CV 1 ASSI { 191} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 3.600 3.600 2.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 9.114 ppm2 5.900 CV 1 ASSI { 194} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 9.116 ppm2 3.557 CV 1 OR { 194} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB1 )) ASSI { 195} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HG2%) 3.100 1.200 1.200 peak 195 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 9.109 ppm2 1.038 CV 1 ASSI { 198} (( segid " " and resid 50 and name HN )) (( segid " " and resid 111 and name HN )) 3.400 1.400 1.400 peak 198 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 9.124 ppm2 9.035 CV 1 ASSI { 201} (( segid " " and resid 50 and name HN )) (( segid " " and resid 111 and name HA )) 3.700 1.700 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.23278E-02 ppm1 9.124 ppm2 5.596 CV 1 ASSI { 202} (( segid " " and resid 50 and name HN )) (( segid " " and resid 113 and name HA )) 4.000 2.000 2.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.23937E-02 ppm1 9.128 ppm2 5.486 CV 1 ASSI { 206} (( segid " " and resid 50 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.600 3.600 2.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.24522E-02 ppm1 9.129 ppm2 2.169 CV 1 ASSI { 207} (( segid " " and resid 50 and name HN )) (( segid " " and resid 113 and name HB1 )) 4.100 2.100 1.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 9.130 ppm2 1.985 CV 1 ASSI { 208} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.000 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.16616E-02 ppm1 9.128 ppm2 1.449 CV 1 ASSI { 209} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HG1 )) 3.900 1.900 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 9.123 ppm2 1.330 CV 1 OR { 209} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HG2 )) ASSI { 210} (( segid " " and resid 50 and name HN )) ( segid " " and resid 111 and name HG2%) 4.300 2.300 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 9.129 ppm2 1.175 CV 1 ASSI { 211} (( segid " " and resid 50 and name HN )) ( segid " " and resid 51 and name HG2%) 3.900 3.900 2.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 9.124 ppm2 0.947 CV 1 ASSI { 212} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HG2%) 3.800 1.800 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 9.127 ppm2 1.033 CV 1 ASSI { 214} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HD1%) 3.800 1.800 1.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.19179E-02 ppm1 9.128 ppm2 0.830 CV 1 ASSI { 215} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HD2%) 3.600 1.600 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 9.129 ppm2 0.730 CV 1 ASSI { 219} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.19398E-02 ppm1 8.152 ppm2 8.413 CV 1 ASSI { 220} (( segid " " and resid 51 and name HN )) (( segid " " and resid 111 and name HA )) 3.400 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 8.139 ppm2 5.591 CV 1 ASSI { 221} (( segid " " and resid 51 and name HN )) (( segid " " and resid 112 and name HA )) 3.600 1.600 1.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.17788E-02 ppm1 8.144 ppm2 5.173 CV 1 ASSI { 222} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 3.400 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 8.142 ppm2 4.474 CV 1 ASSI { 223} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 223 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 8.139 ppm2 3.961 CV 1 ASSI { 224} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HD2 )) 4.000 2.000 2.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 8.146 ppm2 3.650 CV 1 ASSI { 225} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HD1 )) 3.300 1.400 1.400 peak 225 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 8.138 ppm2 3.204 CV 1 ASSI { 228} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.500 1.500 1.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.147 ppm2 1.310 CV 1 ASSI { 230} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HD2%) 4.500 2.500 1.500 peak 230 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 8.142 ppm2 0.759 CV 1 ASSI { 232} (( segid " " and resid 53 and name HN )) (( segid " " and resid 111 and name HN )) 3.600 1.600 1.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 9.200 ppm2 9.038 CV 1 ASSI { 234} (( segid " " and resid 53 and name HN )) (( segid " " and resid 107 and name HN )) 3.600 1.600 1.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 9.210 ppm2 7.659 CV 1 ASSI { 236} (( segid " " and resid 53 and name HN )) (( segid " " and resid 110 and name HA )) 2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 9.204 ppm2 4.610 CV 1 ASSI { 237} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.000 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.13030E-02 ppm1 9.207 ppm2 4.369 CV 1 ASSI { 238} (( segid " " and resid 53 and name HN )) (( segid " " and resid 57 and name HB1 )) 4.000 2.000 2.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 9.204 ppm2 3.999 CV 1 ASSI { 240} (( segid " " and resid 53 and name HN )) (( segid " " and resid 110 and name HG2 )) 3.800 1.800 1.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 9.206 ppm2 2.698 CV 1 OR { 240} (( segid " " and resid 53 and name HN )) (( segid " " and resid 110 and name HG1 )) ASSI { 241} (( segid " " and resid 53 and name HN )) (( segid " " and resid 107 and name HB1 )) 3.700 1.700 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 9.202 ppm2 2.548 CV 1 ASSI { 243} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 4.000 2.000 2.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 9.206 ppm2 2.309 CV 1 ASSI { 245} (( segid " " and resid 53 and name HN )) ( segid " " and resid 49 and name HG2%) 4.000 2.000 2.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 9.204 ppm2 1.032 CV 1 ASSI { 246} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 3.200 1.300 1.300 peak 246 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.837 ppm2 7.823 CV 1 ASSI { 251} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA1 )) 3.000 1.200 1.200 peak 251 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 8.838 ppm2 4.171 CV 1 ASSI { 252} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA2 )) 3.200 1.200 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 8.835 ppm2 3.748 CV 1 ASSI { 256} (( segid " " and resid 57 and name HN )) (( segid " " and resid 108 and name HN )) 4.000 2.000 2.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 7.816 ppm2 8.519 CV 1 ASSI { 269} (( segid " " and resid 57 and name HN )) (( segid " " and resid 107 and name HB1 )) 3.600 1.600 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 7.816 ppm2 2.554 CV 1 ASSI { 270} (( segid " " and resid 57 and name HN )) (( segid " " and resid 107 and name HB2 )) 4.100 2.100 1.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 7.814 ppm2 2.323 CV 1 ASSI { 271} (( segid " " and resid 57 and name HN )) ( segid " " and resid 108 and name HG1%) 4.000 2.000 2.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 7.812 ppm2 0.966 CV 1 ASSI { 272} (( segid " " and resid 58 and name HN )) (( segid " " and resid 109 and name HN )) 4.100 2.100 1.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 8.196 ppm2 8.866 CV 1 ASSI { 275} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 3.500 1.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.17788E-02 ppm1 8.204 ppm2 8.040 CV 1 ASSI { 277} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 3.400 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24157E-02 ppm1 8.205 ppm2 7.806 CV 1 ASSI { 285} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB1 )) 2.800 1.000 1.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.14860E-02 ppm1 8.203 ppm2 4.040 CV 1 OR { 285} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB2 )) ASSI { 288} (( segid " " and resid 58 and name HN )) (( segid " " and resid 108 and name HA )) 3.700 1.700 1.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.22546E-02 ppm1 8.199 ppm2 3.313 CV 1 ASSI { 289} (( segid " " and resid 58 and name HN )) (( segid " " and resid 107 and name HB1 )) 3.500 1.500 1.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 8.205 ppm2 2.547 CV 1 ASSI { 290} (( segid " " and resid 58 and name HN )) (( segid " " and resid 107 and name HB2 )) 4.700 2.800 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.208 ppm2 2.285 CV 1 ASSI { 292} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HG2 )) 3.200 3.200 2.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.23132E-02 ppm1 8.207 ppm2 1.607 CV 1 OR { 292} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 293} (( segid " " and resid 58 and name HN )) ( segid " " and resid 108 and name HG1%) 3.900 1.900 1.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.202 ppm2 0.928 CV 1 ASSI { 294} (( segid " " and resid 58 and name HN )) ( segid " " and resid 108 and name HG2%) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 8.213 ppm2 0.821 CV 1 ASSI { 301} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HB2 )) 3.800 1.800 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 8.021 ppm2 4.006 CV 1 OR { 301} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HB1 )) ASSI { 305} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HD1 )) 4.100 2.100 1.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 8.026 ppm2 3.183 CV 1 ASSI { 306} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HD2 )) 4.200 2.200 1.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 8.034 ppm2 3.061 CV 1 ASSI { 312} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 3.500 1.500 1.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 7.941 ppm2 8.249 CV 1 ASSI { 314} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HE22)) 4.300 2.300 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 7.933 ppm2 7.294 CV 1 ASSI { 315} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HE21)) 4.000 2.000 2.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 7.935 ppm2 6.343 CV 1 ASSI { 316} (( segid " " and resid 61 and name HN )) (( segid " " and resid 149 and name HA )) 4.400 2.400 1.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 7.933 ppm2 4.836 CV 1 ASSI { 320} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HG1 )) 2.500 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 7.938 ppm2 2.472 CV 1 ASSI { 321} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HG2 )) 3.000 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 7.939 ppm2 2.166 CV 1 OR { 321} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HB1 )) ASSI { 322} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG1 )) 4.000 2.000 2.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.16543E-02 ppm1 7.940 ppm2 1.970 CV 1 ASSI { 324} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HG1%) 3.200 1.300 1.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.16616E-02 ppm1 7.940 ppm2 0.899 CV 1 ASSI { 325} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HG2%) 3.100 1.200 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 7.939 ppm2 0.762 CV 1 ASSI { 327} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 3.600 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 8.252 ppm2 8.739 CV 1 ASSI { 333} (( segid " " and resid 62 and name HN )) (( segid " " and resid 104 and name HD1 )) 3.400 3.400 2.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 8.251 ppm2 3.705 CV 1 ASSI { 335} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HE2 )) 4.000 2.000 2.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 8.253 ppm2 3.063 CV 1 ASSI { 337} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.900 1.900 1.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13030E-02 ppm1 8.254 ppm2 1.816 CV 1 ASSI { 338} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.900 1.100 1.100 peak 338 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 8.254 ppm2 1.698 CV 1 ASSI { 340} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG2 )) 3.700 1.700 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 8.256 ppm2 1.324 CV 1 ASSI { 343} (( segid " " and resid 63 and name HN )) (( segid " " and resid 90 and name HN )) 3.200 1.300 1.300 peak 343 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 8.736 ppm2 8.967 CV 1 ASSI { 346} (( segid " " and resid 63 and name HN )) (( segid " " and resid 89 and name HA )) 3.600 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.23864E-02 ppm1 8.741 ppm2 4.647 CV 1 ASSI { 351} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.200 1.300 1.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 8.735 ppm2 1.819 CV 1 ASSI { 352} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.700 1.700 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 8.735 ppm2 1.694 CV 1 ASSI { 353} (( segid " " and resid 63 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.900 1.900 1.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 8.735 ppm2 1.438 CV 1 ASSI { 354} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG2 )) 4.000 2.000 2.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 8.739 ppm2 1.335 CV 1 ASSI { 355} (( segid " " and resid 63 and name HN )) ( segid " " and resid 61 and name HG1%) 3.500 1.500 1.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 8.737 ppm2 0.968 CV 1 ASSI { 356} (( segid " " and resid 63 and name HN )) ( segid " " and resid 90 and name HD2%) 3.800 1.800 1.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 8.733 ppm2 0.733 CV 1 ASSI { 358} (( segid " " and resid 64 and name HN )) (( segid " " and resid 90 and name HN )) 3.300 1.300 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 8.056 ppm2 8.970 CV 1 ASSI { 361} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HN )) 3.300 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 8.058 ppm2 8.288 CV 1 ASSI { 362} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HE22)) 3.700 1.700 1.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 8.053 ppm2 7.314 CV 1 ASSI { 364} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) 3.500 1.500 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 8.061 ppm2 3.590 CV 1 ASSI { 365} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA2 )) 3.200 1.300 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 8.059 ppm2 3.509 CV 1 ASSI { 368} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.800 1.800 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.14055E-02 ppm1 8.060 ppm2 2.180 CV 1 ASSI { 371} (( segid " " and resid 64 and name HN )) ( segid " " and resid 66 and name HG1%) 3.400 3.400 2.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.25401E-02 ppm1 8.057 ppm2 0.642 CV 1 ASSI { 373} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) 3.600 1.600 1.600 peak 373 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 8.825 ppm2 9.128 CV 1 ASSI { 375} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 8.827 ppm2 8.069 CV 1 ASSI { 376} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HE22)) 4.800 2.900 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 8.832 ppm2 7.269 CV 1 ASSI { 378} (( segid " " and resid 65 and name HN )) (( segid " " and resid 149 and name HA )) 3.400 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 8.818 ppm2 4.837 CV 1 ASSI { 380} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 2.900 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 8.825 ppm2 4.260 CV 1 ASSI { 381} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG1 )) 4.200 2.200 1.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 8.822 ppm2 2.467 CV 1 ASSI { 385} (( segid " " and resid 65 and name HN )) ( segid " " and resid 147 and name HB% ) 3.500 3.500 2.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 8.817 ppm2 1.127 CV 1 ASSI { 387} (( segid " " and resid 65 and name HN )) ( segid " " and resid 66 and name HG1%) 3.100 1.200 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 8.817 ppm2 0.671 CV 1 ASSI { 388} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HG2%) 3.600 1.700 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 8.825 ppm2 0.469 CV 1 ASSI { 389} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HN )) 3.400 3.400 2.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.24010E-02 ppm1 9.128 ppm2 9.584 CV 1 ASSI { 391} (( segid " " and resid 66 and name HN )) (( segid " " and resid 148 and name HN )) 3.300 1.300 1.300 peak 391 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 9.128 ppm2 8.719 CV 1 ASSI { 395} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 9.130 ppm2 5.053 CV 1 ASSI { 398} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 3.700 3.700 2.300 peak 398 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 9.127 ppm2 4.445 CV 1 ASSI { 400} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB )) 3.300 1.400 1.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.19765E-02 ppm1 9.125 ppm2 1.699 CV 1 ASSI { 401} (( segid " " and resid 66 and name HN )) ( segid " " and resid 103 and name HG1%) 4.100 2.100 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 9.133 ppm2 1.280 CV 1 ASSI { 402} (( segid " " and resid 66 and name HN )) ( segid " " and resid 87 and name HG1%) 3.600 1.600 1.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 9.125 ppm2 0.969 CV 1 ASSI { 406} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HG2%) 2.800 1.000 1.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 9.128 ppm2 0.079 CV 1 ASSI { 408} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 3.300 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.19398E-02 ppm1 7.826 ppm2 9.586 CV 1 ASSI { 409} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 3.500 1.500 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.22107E-02 ppm1 7.836 ppm2 9.138 CV 1 ASSI { 410} (( segid " " and resid 67 and name HN )) (( segid " " and resid 145 and name HN )) 3.300 1.400 1.400 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 7.825 ppm2 8.937 CV 1 ASSI { 411} (( segid " " and resid 67 and name HN )) (( segid " " and resid 148 and name HN )) 4.000 2.000 2.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 7.825 ppm2 8.712 CV 1 ASSI { 418} (( segid " " and resid 67 and name HN )) (( segid " " and resid 146 and name HA )) 3.500 1.500 1.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 7.818 ppm2 4.513 CV 1 ASSI { 424} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HG2%) 3.600 1.600 1.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 7.828 ppm2 0.002 CV 1 ASSI { 430} (( segid " " and resid 68 and name HN )) (( segid " " and resid 146 and name HN )) 3.300 3.300 2.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.25621E-02 ppm1 9.584 ppm2 7.368 CV 1 ASSI { 431} (( segid " " and resid 68 and name HN )) ( segid " " and resid 88 and name HE% ) 3.500 1.600 1.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 9.583 ppm2 7.140 CV 1 ASSI { 432} (( segid " " and resid 68 and name HN )) ( segid " " and resid 88 and name HD% ) 3.100 1.200 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 9.578 ppm2 6.921 CV 1 ASSI { 436} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) 3.600 3.600 2.400 peak 436 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 9.576 ppm2 5.116 CV 1 ASSI { 437} (( segid " " and resid 68 and name HN )) (( segid " " and resid 85 and name HA )) 3.700 1.700 1.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.21229E-02 ppm1 9.585 ppm2 4.393 CV 1 ASSI { 438} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB )) 3.200 1.300 1.300 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 9.579 ppm2 3.972 CV 1 ASSI { 439} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) 3.300 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 9.579 ppm2 2.198 CV 1 ASSI { 441} (( segid " " and resid 68 and name HN )) (( segid " " and resid 86 and name HG )) 3.600 1.700 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 9.577 ppm2 1.550 CV 1 ASSI { 442} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HG1%) 3.200 1.300 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.15226E-02 ppm1 9.579 ppm2 1.065 CV 1 ASSI { 444} (( segid " " and resid 68 and name HN )) ( segid " " and resid 66 and name HG2%) 3.100 1.200 1.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 9.583 ppm2 0.008 CV 1 ASSI { 445} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 3.300 1.300 1.300 peak 445 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 8.729 ppm2 9.583 CV 1 ASSI { 449} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.900 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 8.725 ppm2 5.378 CV 1 ASSI { 450} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 2.700 0.900 0.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 8.728 ppm2 3.175 CV 1 ASSI { 451} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.400 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 8.727 ppm2 3.086 CV 1 ASSI { 454} (( segid " " and resid 69 and name HN )) ( segid " " and resid 143 and name HG2%) 3.600 1.600 1.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.17496E-02 ppm1 8.726 ppm2 1.057 CV 1 ASSI { 455} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG2%) 3.500 1.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 8.727 ppm2 0.941 CV 1 ASSI { 456} (( segid " " and resid 70 and name HN )) (( segid " " and resid 86 and name HN )) 3.800 1.800 1.800 peak 456 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 9.005 ppm2 8.826 CV 1 ASSI { 457} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 3.500 1.500 1.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.21229E-02 ppm1 9.000 ppm2 8.730 CV 1 ASSI { 458} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HD2 )) 2.900 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 9.004 ppm2 6.910 CV 1 ASSI { 459} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.700 3.700 2.300 peak 459 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 9.015 ppm2 5.617 CV 1 ASSI { 460} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.900 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.15152E-02 ppm1 9.003 ppm2 5.373 CV 1 ASSI { 461} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.500 1.600 1.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 9.004 ppm2 3.168 CV 1 ASSI { 462} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.700 1.700 1.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 9.001 ppm2 3.081 CV 1 ASSI { 463} (( segid " " and resid 70 and name HN )) (( segid " " and resid 82 and name HG2 )) 3.500 3.500 2.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 8.999 ppm2 2.073 CV 1 ASSI { 464} (( segid " " and resid 70 and name HN )) (( segid " " and resid 83 and name HB2 )) 4.000 2.000 2.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.16837E-02 ppm1 8.998 ppm2 1.884 CV 1 ASSI { 465} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG )) 3.400 1.400 1.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 8.997 ppm2 1.458 CV 1 ASSI { 466} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.600 1.600 1.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.997 ppm2 1.223 CV 1 ASSI { 467} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HD1%) 4.000 2.000 2.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 8.998 ppm2 0.932 CV 1 ASSI { 469} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HE22)) 3.200 3.200 2.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.25181E-02 ppm1 9.065 ppm2 6.655 CV 1 ASSI { 471} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HA )) 3.000 3.000 3.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 9.060 ppm2 4.899 CV 1 ASSI { 472} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HG1 )) 2.600 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.21082E-02 ppm1 9.060 ppm2 2.306 CV 1 ASSI { 473} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.700 1.700 1.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 9.065 ppm2 2.176 CV 1 ASSI { 475} (( segid " " and resid 71 and name HN )) (( segid " " and resid 141 and name HB2 )) 4.900 3.100 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 9.062 ppm2 1.933 CV 1 ASSI { 476} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HG )) 2.600 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.19398E-02 ppm1 9.061 ppm2 1.470 CV 1 ASSI { 477} (( segid " " and resid 71 and name HN )) ( segid " " and resid 140 and name HD1%) 3.700 1.700 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.15519E-02 ppm1 9.065 ppm2 0.929 CV 1 ASSI { 480} (( segid " " and resid 72 and name HN )) (( segid " " and resid 81 and name HE21)) 3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 9.113 ppm2 7.681 CV 1 ASSI { 484} (( segid " " and resid 72 and name HN )) (( segid " " and resid 79 and name HD1 )) 2.700 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.24449E-02 ppm1 9.119 ppm2 3.232 CV 1 ASSI { 485} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG1 )) 3.900 1.900 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 9.122 ppm2 2.310 CV 1 ASSI { 486} (( segid " " and resid 72 and name HN )) ( segid " " and resid 72 and name HG2%) 3.500 1.600 1.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 9.115 ppm2 1.163 CV 1 ASSI { 487} (( segid " " and resid 72 and name HN )) ( segid " " and resid 140 and name HD1%) 4.100 2.100 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 9.114 ppm2 0.937 CV 1 ASSI { 488} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HD2%) 3.300 1.400 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 9.118 ppm2 0.811 CV 1 ASSI { 490} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 3.400 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 9.169 ppm2 8.652 CV 1 ASSI { 491} (( segid " " and resid 73 and name HN )) (( segid " " and resid 79 and name HE )) 3.200 1.300 1.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 9.180 ppm2 7.246 CV 1 ASSI { 494} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB )) 3.400 1.500 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 9.170 ppm2 4.011 CV 1 ASSI { 497} (( segid " " and resid 73 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.500 1.500 1.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 9.172 ppm2 2.678 CV 1 ASSI { 499} (( segid " " and resid 73 and name HN )) ( segid " " and resid 140 and name HD1%) 4.400 2.500 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 9.175 ppm2 0.925 CV 1 ASSI { 500} (( segid " " and resid 73 and name HN )) ( segid " " and resid 74 and name HD2%) 3.400 1.400 1.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 9.171 ppm2 0.831 CV 1 ASSI { 501} (( segid " " and resid 73 and name HN )) ( segid " " and resid 140 and name HD2%) 3.600 1.700 1.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 9.175 ppm2 0.707 CV 1 ASSI { 504} (( segid " " and resid 74 and name HN )) (( segid " " and resid 80 and name HN )) 3.700 1.700 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 8.640 ppm2 8.915 CV 1 ASSI { 505} (( segid " " and resid 74 and name HN )) (( segid " " and resid 77 and name HN )) 3.300 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 8.643 ppm2 8.194 CV 1 ASSI { 506} (( segid " " and resid 74 and name HN )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.18886E-02 ppm1 8.642 ppm2 7.770 CV 1 ASSI { 508} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.800 1.000 1.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 8.640 ppm2 4.715 CV 1 ASSI { 509} (( segid " " and resid 74 and name HN )) (( segid " " and resid 78 and name HA )) 3.300 1.300 1.300 peak 509 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 8.639 ppm2 4.051 CV 1 ASSI { 510} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HA )) 3.300 3.300 2.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 8.644 ppm2 3.925 CV 1 ASSI { 513} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 3.700 1.700 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.15373E-02 ppm1 8.639 ppm2 1.940 CV 1 ASSI { 514} (( segid " " and resid 74 and name HN )) (( segid " " and resid 79 and name HG1 )) 4.200 2.200 1.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.14128E-02 ppm1 8.640 ppm2 1.714 CV 1 ASSI { 515} (( segid " " and resid 74 and name HN )) ( segid " " and resid 78 and name HG2%) 3.600 1.600 1.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 8.643 ppm2 1.221 CV 1 ASSI { 521} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 8.659 ppm2 7.724 CV 1 ASSI { 522} (( segid " " and resid 75 and name HN )) (( segid " " and resid 138 and name HA )) 2.900 1.100 1.100 peak 522 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 8.659 ppm2 5.229 CV 1 ASSI { 525} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HG2 )) 3.000 1.100 1.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 8.658 ppm2 2.214 CV 1 ASSI { 526} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.800 1.800 1.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.13542E-02 ppm1 8.660 ppm2 1.930 CV 1 ASSI { 527} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.800 1.000 1.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.14274E-02 ppm1 8.661 ppm2 2.010 CV 1 ASSI { 532} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 2.700 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 7.723 ppm2 8.204 CV 1 ASSI { 535} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) 3.400 1.500 1.500 peak 535 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 7.721 ppm2 4.720 CV 1 ASSI { 536} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 7.722 ppm2 4.561 CV 1 ASSI { 537} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HA1 )) 4.000 2.000 2.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.24596E-02 ppm1 7.714 ppm2 4.445 CV 1 ASSI { 538} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HB )) 3.800 1.800 1.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.26499E-02 ppm1 7.716 ppm2 4.096 CV 1 ASSI { 539} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 7.720 ppm2 3.980 CV 1 ASSI { 540} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HA2 )) 3.900 1.900 1.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.23132E-02 ppm1 7.714 ppm2 3.733 CV 1 ASSI { 541} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.300 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 7.722 ppm2 3.311 CV 1 ASSI { 542} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18886E-02 ppm1 7.724 ppm2 2.872 CV 1 ASSI { 543} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG1 )) 2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 7.710 ppm2 2.200 CV 1 ASSI { 544} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HG )) 3.900 1.900 1.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 7.717 ppm2 1.679 CV 1 ASSI { 545} (( segid " " and resid 76 and name HN )) ( segid " " and resid 80 and name HG1%) 4.200 2.200 1.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 7.721 ppm2 0.934 CV 1 ASSI { 546} (( segid " " and resid 76 and name HN )) ( segid " " and resid 74 and name HD2%) 3.800 1.800 1.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.25401E-02 ppm1 7.716 ppm2 0.814 CV 1 ASSI { 554} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HA )) 3.400 1.500 1.500 peak 554 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 8.198 ppm2 4.720 CV 1 ASSI { 557} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HB )) 4.000 2.000 2.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 8.198 ppm2 4.049 CV 1 OR { 557} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HA )) ASSI { 558} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HA )) 3.000 1.200 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 8.197 ppm2 3.979 CV 1 ASSI { 560} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.100 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 8.197 ppm2 2.848 CV 1 ASSI { 561} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.300 1.300 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.17496E-02 ppm1 8.195 ppm2 1.965 CV 1 ASSI { 563} (( segid " " and resid 77 and name HN )) ( segid " " and resid 80 and name HG1%) 4.200 2.200 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.200 ppm2 0.982 CV 1 ASSI { 575} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.300 1.400 1.400 peak 575 spectrum 1 weight 0.10000E+01 volume 0.22107E-02 ppm1 7.771 ppm2 3.342 CV 1 ASSI { 577} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HG1 )) 3.800 3.800 2.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 7.772 ppm2 1.702 CV 1 ASSI { 580} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HG2%) 3.100 1.200 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.16910E-02 ppm1 7.773 ppm2 0.838 CV 1 ASSI { 583} (( segid " " and resid 79 and name HN )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.21082E-02 ppm1 8.931 ppm2 8.671 CV 1 ASSI { 584} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 3.400 1.400 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 8.934 ppm2 7.779 CV 1 ASSI { 585} (( segid " " and resid 79 and name HN )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 8.935 ppm2 5.522 CV 1 ASSI { 588} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HD1 )) 4.100 2.100 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 8.930 ppm2 3.227 CV 1 ASSI { 589} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 4.000 2.000 2.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.13762E-02 ppm1 8.932 ppm2 1.875 CV 1 ASSI { 590} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HG1 )) 2.800 1.000 1.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 8.929 ppm2 1.689 CV 1 ASSI { 595} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HG1%) 3.300 1.400 1.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.24962E-02 ppm1 8.926 ppm2 1.006 CV 1 ASSI { 597} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HG2%) 4.000 2.000 2.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.24084E-02 ppm1 8.920 ppm2 0.760 CV 1 ASSI { 601} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HE21)) 3.400 1.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 8.903 ppm2 7.628 CV 1 ASSI { 604} (( segid " " and resid 80 and name HN )) (( segid " " and resid 72 and name HA )) 3.300 3.300 2.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.24157E-02 ppm1 8.902 ppm2 4.880 CV 1 ASSI { 607} (( segid " " and resid 80 and name HN )) (( segid " " and resid 72 and name HB )) 3.600 1.600 1.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 8.905 ppm2 4.017 CV 1 ASSI { 608} (( segid " " and resid 80 and name HN )) (( segid " " and resid 73 and name HB1 )) 4.300 2.300 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 8.903 ppm2 3.714 CV 1 OR { 608} (( segid " " and resid 80 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 610} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HD2 )) 1.800 1.800 4.200 peak 610 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 8.902 ppm2 3.231 CV 1 ASSI { 612} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.100 1.200 1.200 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 8.905 ppm2 1.873 CV 1 ASSI { 613} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HG2 )) 3.700 1.800 1.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.905 ppm2 1.676 CV 1 ASSI { 614} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.24084E-02 ppm1 8.902 ppm2 2.051 CV 1 ASSI { 615} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG1%) 2.900 1.100 1.100 peak 615 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 8.896 ppm2 1.010 CV 1 ASSI { 616} (( segid " " and resid 80 and name HN )) ( segid " " and resid 74 and name HD2%) 3.400 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 8.901 ppm2 0.873 CV 1 ASSI { 622} (( segid " " and resid 81 and name HN )) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 7.782 ppm2 4.888 CV 1 ASSI { 624} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 7.775 ppm2 4.378 CV 1 ASSI { 626} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA2 )) 3.000 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 7.769 ppm2 3.749 CV 1 ASSI { 627} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG1 )) 3.700 1.700 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 7.776 ppm2 2.377 CV 1 ASSI { 628} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG2 )) 2.400 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 7.773 ppm2 2.170 CV 1 ASSI { 629} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.400 1.400 1.400 peak 629 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 7.772 ppm2 2.063 CV 1 ASSI { 634} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 3.400 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.24230E-02 ppm1 8.701 ppm2 9.026 CV 1 ASSI { 635} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.900 1.000 1.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 8.697 ppm2 5.048 CV 1 ASSI { 636} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 2.900 1.100 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.17496E-02 ppm1 8.701 ppm2 4.652 CV 1 ASSI { 637} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG1 )) 3.800 1.800 1.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 8.706 ppm2 2.360 CV 1 ASSI { 638} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG2 )) 3.700 1.700 1.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 8.700 ppm2 2.173 CV 1 ASSI { 639} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG2 )) 3.800 1.800 1.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 8.702 ppm2 2.049 CV 1 ASSI { 647} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HG1 )) 1.800 1.800 4.200 peak 647 spectrum 1 weight 0.10000E+01 volume 0.23352E-02 ppm1 9.065 ppm2 2.388 CV 1 ASSI { 649} (( segid " " and resid 71 and name HN )) ( segid " " and resid 70 and name HD1%) 3.600 1.600 1.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 9.065 ppm2 0.933 CV 1 ASSI { 650} (( segid " " and resid 85 and name HN )) (( segid " " and resid 70 and name HN )) 3.200 1.300 1.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 8.310 ppm2 8.998 CV 1 ASSI { 652} (( segid " " and resid 85 and name HN )) (( segid " " and resid 69 and name HA )) 2.800 1.000 1.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 8.303 ppm2 5.357 CV 1 ASSI { 653} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HA )) 3.600 1.600 1.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 8.309 ppm2 5.003 CV 1 ASSI { 654} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HA )) 3.400 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 8.308 ppm2 4.618 CV 1 ASSI { 657} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HG2 )) 2.800 2.800 3.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.16032E-02 ppm1 8.310 ppm2 2.143 CV 1 OR { 657} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HG1 )) ASSI { 669} (( segid " " and resid 86 and name HN )) ( segid " " and resid 88 and name HD% ) 3.700 1.800 1.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 8.810 ppm2 6.905 CV 1 ASSI { 675} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HG1 )) 4.100 2.100 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 8.805 ppm2 2.024 CV 1 ASSI { 676} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB2 )) 3.900 1.900 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 8.806 ppm2 1.734 CV 1 ASSI { 680} (( segid " " and resid 86 and name HN )) ( segid " " and resid 67 and name HG2%) 3.800 1.800 1.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.15300E-02 ppm1 8.805 ppm2 1.064 CV 1 ASSI { 681} (( segid " " and resid 86 and name HN )) ( segid " " and resid 68 and name HG2%) 3.500 1.500 1.500 peak 681 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 8.805 ppm2 0.969 CV 1 ASSI { 682} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HD2%) 4.100 2.100 1.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 8.805 ppm2 0.767 CV 1 ASSI { 685} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) 3.600 1.700 1.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 8.348 ppm2 8.878 CV 1 ASSI { 695} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HG )) 3.300 1.400 1.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 8.335 ppm2 1.577 CV 1 ASSI { 697} (( segid " " and resid 87 and name HN )) ( segid " " and resid 87 and name HG1%) 3.600 1.700 1.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.13689E-02 ppm1 8.334 ppm2 0.954 CV 1 ASSI { 698} (( segid " " and resid 87 and name HN )) ( segid " " and resid 87 and name HG2%) 3.600 1.600 1.600 peak 698 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 8.332 ppm2 0.727 CV 1 ASSI { 699} (( segid " " and resid 88 and name HN )) (( segid " " and resid 68 and name HN )) 3.600 1.600 1.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.886 ppm2 9.575 CV 1 ASSI { 702} (( segid " " and resid 88 and name HN )) ( segid " " and resid 88 and name HE% ) 3.300 1.400 1.400 peak 702 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.893 ppm2 7.157 CV 1 ASSI { 704} (( segid " " and resid 88 and name HN )) ( segid " " and resid 88 and name HD% ) 2.900 1.000 1.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.16616E-02 ppm1 8.893 ppm2 6.940 CV 1 ASSI { 707} (( segid " " and resid 88 and name HN )) (( segid " " and resid 66 and name HA )) 3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.19765E-02 ppm1 8.887 ppm2 5.077 CV 1 ASSI { 709} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HA )) 3.300 3.300 2.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 8.887 ppm2 4.594 CV 1 ASSI { 710} (( segid " " and resid 88 and name HN )) (( segid " " and resid 65 and name HA )) 3.400 1.400 1.400 peak 710 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 8.889 ppm2 4.236 CV 1 ASSI { 712} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.000 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 8.894 ppm2 3.123 CV 1 ASSI { 713} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB )) 3.800 1.800 1.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 8.894 ppm2 1.886 CV 1 ASSI { 716} (( segid " " and resid 88 and name HN )) ( segid " " and resid 65 and name HG1%) 4.000 2.000 2.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.893 ppm2 0.820 CV 1 ASSI { 717} (( segid " " and resid 88 and name HN )) ( segid " " and resid 87 and name HG2%) 3.900 1.900 1.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 8.890 ppm2 0.718 CV 1 ASSI { 719} (( segid " " and resid 88 and name HN )) ( segid " " and resid 65 and name HG2%) 3.100 1.200 1.200 peak 719 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 8.891 ppm2 0.473 CV 1 ASSI { 720} (( segid " " and resid 88 and name HN )) ( segid " " and resid 66 and name HG2%) 3.300 1.400 1.400 peak 720 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 8.893 ppm2 -0.001 CV 1 ASSI { 721} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HN )) 3.600 1.600 1.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 9.138 ppm2 8.955 CV 1 ASSI { 728} (( segid " " and resid 89 and name HN )) (( segid " " and resid 94 and name HA )) 4.200 2.200 1.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 9.139 ppm2 4.706 CV 1 ASSI { 730} (( segid " " and resid 89 and name HN )) (( segid " " and resid 65 and name HA )) 3.400 1.500 1.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 9.139 ppm2 4.244 CV 1 ASSI { 733} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.100 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13323E-02 ppm1 9.140 ppm2 3.121 CV 1 ASSI { 734} (( segid " " and resid 89 and name HN )) (( segid " " and resid 94 and name HB1 )) 2.800 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 9.144 ppm2 2.807 CV 1 ASSI { 736} (( segid " " and resid 89 and name HN )) ( segid " " and resid 89 and name HG2%) 3.900 1.900 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 9.140 ppm2 0.973 CV 1 ASSI { 737} (( segid " " and resid 89 and name HN )) ( segid " " and resid 65 and name HG1%) 3.600 3.600 2.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 9.143 ppm2 0.887 CV 1 ASSI { 738} (( segid " " and resid 89 and name HN )) ( segid " " and resid 95 and name HG1%) 4.100 2.100 1.900 peak 738 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 9.131 ppm2 0.294 CV 1 ASSI { 739} (( segid " " and resid 90 and name HN )) (( segid " " and resid 91 and name HN )) 3.700 1.700 1.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 8.967 ppm2 10.639 CV 1 ASSI { 743} (( segid " " and resid 90 and name HN )) ( segid " " and resid 88 and name HD% ) 3.000 1.200 1.200 peak 743 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 8.971 ppm2 6.961 CV 1 ASSI { 744} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HZ )) 3.400 3.400 2.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 8.967 ppm2 6.843 CV 1 ASSI { 745} (( segid " " and resid 90 and name HN )) (( segid " " and resid 64 and name HE21)) 1.800 1.800 4.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 8.956 ppm2 6.341 CV 1 ASSI { 748} (( segid " " and resid 90 and name HN )) (( segid " " and resid 65 and name HA )) 3.800 3.800 2.200 peak 748 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 8.965 ppm2 4.263 CV 1 ASSI { 749} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HB )) 3.600 1.600 1.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 8.967 ppm2 4.136 CV 1 ASSI { 754} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB2 )) 2.700 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.15300E-02 ppm1 8.965 ppm2 1.418 CV 1 ASSI { 757} (( segid " " and resid 90 and name HN )) ( segid " " and resid 65 and name HG2%) 1.800 1.800 4.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.23498E-02 ppm1 8.964 ppm2 0.483 CV 1 ASSI { 758} (( segid " " and resid 90 and name HN )) ( segid " " and resid 66 and name HG2%) 3.300 1.400 1.400 peak 758 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 8.964 ppm2 -0.010 CV 1 ASSI { 764} (( segid " " and resid 91 and name HN )) ( segid " " and resid 88 and name HE% ) 3.200 1.300 1.300 peak 764 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 10.634 ppm2 7.162 CV 1 ASSI { 765} (( segid " " and resid 91 and name HN )) ( segid " " and resid 88 and name HD% ) 3.400 1.500 1.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 10.633 ppm2 6.938 CV 1 ASSI { 766} (( segid " " and resid 91 and name HN )) (( segid " " and resid 95 and name HN )) 3.500 3.500 2.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.24157E-02 ppm1 10.632 ppm2 6.739 CV 1 ASSI { 770} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.700 1.700 1.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.22107E-02 ppm1 10.623 ppm2 2.677 CV 1 ASSI { 771} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB1 )) 3.300 1.400 1.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 10.634 ppm2 1.938 CV 1 ASSI { 772} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB2 )) 3.700 1.700 1.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 10.630 ppm2 1.437 CV 1 ASSI { 773} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HD1%) 2.900 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 10.629 ppm2 1.041 CV 1 ASSI { 774} (( segid " " and resid 91 and name HN )) ( segid " " and resid 90 and name HD2%) 3.900 1.900 1.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 10.627 ppm2 0.734 CV 1 ASSI { 777} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HN )) 3.500 3.500 2.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 7.800 ppm2 9.180 CV 1 ASSI { 779} (( segid " " and resid 92 and name HN )) ( segid " " and resid 88 and name HE% ) 3.400 1.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 7.803 ppm2 7.160 CV 1 ASSI { 780} (( segid " " and resid 92 and name HN )) (( segid " " and resid 95 and name HN )) 3.700 1.700 1.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 7.797 ppm2 6.733 CV 1 ASSI { 786} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA2 )) 3.100 1.200 1.200 peak 786 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 7.801 ppm2 3.923 CV 1 ASSI { 788} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.200 1.300 1.300 peak 788 spectrum 1 weight 0.10000E+01 volume 0.13542E-02 ppm1 7.804 ppm2 2.666 CV 1 ASSI { 789} (( segid " " and resid 92 and name HN )) ( segid " " and resid 89 and name HG2%) 3.500 1.500 1.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 7.803 ppm2 0.978 CV 1 ASSI { 790} (( segid " " and resid 92 and name HN )) ( segid " " and resid 95 and name HG2%) 3.300 1.400 1.400 peak 790 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 7.809 ppm2 0.030 CV 1 ASSI { 791} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HN )) 3.200 1.300 1.300 peak 791 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 8.952 ppm2 10.642 CV 1 ASSI { 797} (( segid " " and resid 93 and name HN )) (( segid " " and resid 95 and name HN )) 3.600 1.600 1.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 8.948 ppm2 6.766 CV 1 ASSI { 799} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HA )) 4.000 2.000 2.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 8.947 ppm2 4.730 CV 1 ASSI { 801} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HA2 )) 2.900 1.100 1.100 peak 801 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.949 ppm2 3.945 CV 1 ASSI { 802} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB1 )) 3.400 1.500 1.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 8.946 ppm2 3.197 CV 1 ASSI { 803} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB1 )) 3.400 1.400 1.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 8.948 ppm2 2.893 CV 1 ASSI { 804} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB2 )) 3.900 1.900 1.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 8.949 ppm2 2.676 CV 1 ASSI { 805} (( segid " " and resid 93 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.000 1.100 1.100 peak 805 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.949 ppm2 2.404 CV 1 ASSI { 806} (( segid " " and resid 93 and name HN )) (( segid " " and resid 100 and name HB1 )) 3.600 1.600 1.600 peak 806 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 8.942 ppm2 2.550 CV 1 ASSI { 807} (( segid " " and resid 93 and name HN )) ( segid " " and resid 101 and name HD2%) 3.400 3.400 2.600 peak 807 spectrum 1 weight 0.10000E+01 volume 0.22839E-02 ppm1 8.952 ppm2 0.471 CV 1 ASSI { 811} (( segid " " and resid 94 and name HN )) (( segid " " and resid 92 and name HN )) 3.000 1.100 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 9.093 ppm2 7.806 CV 1 ASSI { 814} (( segid " " and resid 94 and name HN )) (( segid " " and resid 88 and name HA )) 4.400 2.400 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 9.093 ppm2 4.955 CV 1 ASSI { 815} (( segid " " and resid 94 and name HN )) (( segid " " and resid 92 and name HA )) 3.400 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 9.095 ppm2 4.834 CV 1 ASSI { 818} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB2 )) 3.400 1.400 1.400 peak 818 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 9.097 ppm2 3.162 CV 1 ASSI { 822} (( segid " " and resid 94 and name HN )) ( segid " " and resid 95 and name HG1%) 3.800 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 9.092 ppm2 0.312 CV 1 ASSI { 823} (( segid " " and resid 94 and name HN )) ( segid " " and resid 95 and name HG2%) 3.300 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 9.093 ppm2 0.055 CV 1 ASSI { 828} (( segid " " and resid 95 and name HN )) (( segid " " and resid 97 and name HE21)) 4.200 2.200 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.15300E-02 ppm1 6.773 ppm2 7.749 CV 1 ASSI { 831} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB1 )) 3.000 1.100 1.100 peak 831 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 6.761 ppm2 2.812 CV 1 ASSI { 832} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.700 1.800 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 6.765 ppm2 2.706 CV 1 ASSI { 833} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB )) 3.700 1.700 1.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.18520E-02 ppm1 6.766 ppm2 1.813 CV 1 ASSI { 835} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HG2%) 2.800 1.000 1.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.14055E-02 ppm1 6.764 ppm2 0.061 CV 1 ASSI { 836} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 3.100 1.200 1.200 peak 836 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 7.636 ppm2 9.061 CV 1 ASSI { 837} (( segid " " and resid 96 and name HN )) (( segid " " and resid 99 and name HN )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 7.633 ppm2 7.256 CV 1 ASSI { 839} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 3.400 1.500 1.500 peak 839 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 7.636 ppm2 6.766 CV 1 ASSI { 842} (( segid " " and resid 96 and name HN )) (( segid " " and resid 99 and name HA )) 3.900 1.900 1.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 7.634 ppm2 4.143 CV 1 ASSI { 844} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB )) 3.100 1.200 1.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 7.640 ppm2 2.084 CV 1 ASSI { 846} (( segid " " and resid 96 and name HN )) (( segid " " and resid 99 and name HB1 )) 2.800 1.000 1.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 7.641 ppm2 1.488 CV 1 ASSI { 847} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG11)) 3.000 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.15519E-02 ppm1 7.638 ppm2 1.240 CV 1 ASSI { 850} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HN )) 3.000 1.100 1.100 peak 850 spectrum 1 weight 0.10000E+01 volume 0.13689E-02 ppm1 9.050 ppm2 8.982 CV 1 ASSI { 851} (( segid " " and resid 97 and name HN )) ( segid " " and resid 120 and name HD% ) 3.900 1.900 1.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 9.056 ppm2 6.916 CV 1 ASSI { 852} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HE22)) 3.800 1.800 1.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.23352E-02 ppm1 9.053 ppm2 6.763 CV 1 ASSI { 853} (( segid " " and resid 97 and name HN )) (( segid " " and resid 120 and name HA )) 3.000 1.100 1.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 9.049 ppm2 4.708 CV 1 ASSI { 854} (( segid " " and resid 97 and name HN )) (( segid " " and resid 98 and name HA )) 3.600 1.700 1.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 9.049 ppm2 3.892 CV 1 ASSI { 855} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 2.600 0.900 0.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 9.050 ppm2 4.007 CV 1 ASSI { 856} (( segid " " and resid 97 and name HN )) (( segid " " and resid 121 and name HA )) 4.000 2.000 2.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 9.050 ppm2 4.450 CV 1 ASSI { 857} (( segid " " and resid 97 and name HN )) (( segid " " and resid 120 and name HB1 )) 3.300 1.400 1.400 peak 857 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 9.047 ppm2 3.263 CV 1 ASSI { 862} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HG11)) 3.200 1.300 1.300 peak 862 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 9.056 ppm2 1.254 CV 1 ASSI { 863} (( segid " " and resid 97 and name HN )) ( segid " " and resid 98 and name HB% ) 3.800 1.800 1.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 9.046 ppm2 1.130 CV 1 ASSI { 867} (( segid " " and resid 98 and name HN )) ( segid " " and resid 120 and name HD% ) 3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.22839E-02 ppm1 8.972 ppm2 6.888 CV 1 ASSI { 868} (( segid " " and resid 98 and name HN )) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 868 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.959 ppm2 4.684 CV 1 ASSI { 869} (( segid " " and resid 98 and name HN )) (( segid " " and resid 121 and name HA )) 3.800 1.800 1.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 8.961 ppm2 4.446 CV 1 ASSI { 871} (( segid " " and resid 98 and name HN )) (( segid " " and resid 120 and name HB1 )) 2.800 1.000 1.000 peak 871 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 8.966 ppm2 3.255 CV 1 ASSI { 872} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HG1 )) 3.500 1.500 1.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 8.964 ppm2 2.629 CV 1 ASSI { 873} (( segid " " and resid 98 and name HN )) (( segid " " and resid 120 and name HB2 )) 4.000 2.000 2.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 8.968 ppm2 2.534 CV 1 ASSI { 875} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HB )) 2.900 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.963 ppm2 2.100 CV 1 ASSI { 876} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HB1 )) 3.900 1.900 1.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 8.968 ppm2 1.487 CV 1 ASSI { 878} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HG11)) 2.500 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.25548E-02 ppm1 8.965 ppm2 1.213 CV 1 OR { 878} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HG12)) ASSI { 879} (( segid " " and resid 98 and name HN )) ( segid " " and resid 96 and name HG2%) 4.100 2.100 1.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 8.961 ppm2 0.253 CV 1 ASSI { 880} (( segid " " and resid 98 and name HN )) ( segid " " and resid 95 and name HG2%) 3.800 1.800 1.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.24303E-02 ppm1 8.967 ppm2 0.050 CV 1 ASSI { 885} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HA )) 3.600 1.600 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 7.247 ppm2 4.607 CV 1 ASSI { 887} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.100 1.200 1.200 peak 887 spectrum 1 weight 0.10000E+01 volume 0.18886E-02 ppm1 7.251 ppm2 3.823 CV 1 ASSI { 888} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HB1 )) 3.400 1.400 1.400 peak 888 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 7.253 ppm2 2.583 CV 1 ASSI { 889} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.700 1.700 1.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 7.253 ppm2 2.380 CV 1 ASSI { 890} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HB )) 3.800 1.800 1.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 7.256 ppm2 2.076 CV 1 ASSI { 891} (( segid " " and resid 99 and name HN )) (( segid " " and resid 95 and name HB )) 3.600 1.600 1.600 peak 891 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 7.260 ppm2 1.805 CV 1 ASSI { 897} (( segid " " and resid 99 and name HN )) ( segid " " and resid 95 and name HG2%) 3.500 1.600 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 7.252 ppm2 0.053 CV 1 ASSI { 898} (( segid " " and resid 100 and name HN )) (( segid " " and resid 91 and name HN )) 3.600 3.600 2.400 peak 898 spectrum 1 weight 0.10000E+01 volume 0.22546E-02 ppm1 7.207 ppm2 10.574 CV 1 ASSI { 900} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HN )) 3.200 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 7.205 ppm2 8.968 CV 1 ASSI { 905} (( segid " " and resid 100 and name HN )) (( segid " " and resid 95 and name HN )) 3.900 1.900 1.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.23278E-02 ppm1 7.198 ppm2 6.757 CV 1 ASSI { 908} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) 2.900 1.100 1.100 peak 908 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 7.205 ppm2 4.188 CV 1 ASSI { 910} (( segid " " and resid 100 and name HN )) (( segid " " and resid 98 and name HA )) 3.000 3.000 3.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.23937E-02 ppm1 7.201 ppm2 3.810 CV 1 ASSI { 913} (( segid " " and resid 100 and name HN )) (( segid " " and resid 103 and name HB )) 3.700 3.700 2.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.14055E-02 ppm1 7.201 ppm2 2.312 CV 1 ASSI { 915} (( segid " " and resid 100 and name HN )) (( segid " " and resid 95 and name HB )) 3.600 1.600 1.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 7.201 ppm2 1.797 CV 1 ASSI { 918} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) 3.600 1.600 1.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 7.201 ppm2 1.330 CV 1 ASSI { 920} (( segid " " and resid 100 and name HN )) ( segid " " and resid 95 and name HG1%) 1.800 1.800 4.200 peak 920 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 7.203 ppm2 0.278 CV 1 ASSI { 921} (( segid " " and resid 100 and name HN )) ( segid " " and resid 95 and name HG2%) 2.900 1.100 1.100 peak 921 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 7.203 ppm2 0.057 CV 1 ASSI { 924} (( segid " " and resid 101 and name HN )) (( segid " " and resid 103 and name HN )) 3.400 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 8.227 ppm2 7.954 CV 1 ASSI { 929} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 8.226 ppm2 4.610 CV 1 ASSI { 931} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HA )) 3.300 1.300 1.300 peak 931 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 8.222 ppm2 4.177 CV 1 ASSI { 932} (( segid " " and resid 101 and name HN )) (( segid " " and resid 97 and name HA )) 3.400 1.400 1.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 8.220 ppm2 4.022 CV 1 ASSI { 935} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 3.700 1.700 1.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.17496E-02 ppm1 8.224 ppm2 2.387 CV 1 ASSI { 938} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.600 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 8.224 ppm2 1.153 CV 1 ASSI { 939} (( segid " " and resid 101 and name HN )) ( segid " " and resid 103 and name HG2%) 3.500 1.600 1.600 peak 939 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 8.217 ppm2 1.045 CV 1 ASSI { 940} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HD1%) 3.800 1.800 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.16616E-02 ppm1 8.224 ppm2 0.675 CV 1 ASSI { 946} (( segid " " and resid 102 and name HN )) (( segid " " and resid 88 and name HZ )) 3.900 3.900 2.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 7.172 ppm2 6.833 CV 1 ASSI { 947} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HA )) 3.200 1.300 1.300 peak 947 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 7.167 ppm2 4.599 CV 1 ASSI { 950} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HA )) 3.700 1.700 1.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 7.162 ppm2 3.948 CV 1 ASSI { 954} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HD2 )) 3.100 1.200 1.200 peak 954 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 7.164 ppm2 3.108 CV 1 ASSI { 956} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HB )) 3.700 1.700 1.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 7.162 ppm2 2.283 CV 1 ASSI { 957} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HB1 )) 3.600 1.600 1.600 peak 957 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 7.161 ppm2 1.466 CV 1 ASSI { 958} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 2.800 1.000 1.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 7.162 ppm2 1.145 CV 1 ASSI { 959} (( segid " " and resid 102 and name HN )) ( segid " " and resid 99 and name HD2%) 4.000 2.000 2.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 7.163 ppm2 0.767 CV 1 ASSI { 963} (( segid " " and resid 103 and name HN )) (( segid " " and resid 105 and name HN )) 3.000 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 7.933 ppm2 7.398 CV 1 ASSI { 965} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HA )) 3.100 1.200 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 7.938 ppm2 4.650 CV 1 ASSI { 966} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 2.800 1.000 1.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 7.933 ppm2 4.460 CV 1 ASSI { 967} (( segid " " and resid 103 and name HN )) (( segid " " and resid 99 and name HA )) 3.000 1.100 1.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 7.934 ppm2 4.184 CV 1 ASSI { 969} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB1 )) 3.100 1.200 1.200 peak 969 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 7.933 ppm2 3.545 CV 1 OR { 969} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) ASSI { 975} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HG1 )) 4.200 2.200 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 7.943 ppm2 2.102 CV 1 ASSI { 976} (( segid " " and resid 103 and name HN )) ( segid " " and resid 114 and name HG2%) 3.600 1.600 1.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 7.941 ppm2 0.881 CV 1 OR { 976} (( segid " " and resid 103 and name HN )) ( segid " " and resid 114 and name HG1%) ASSI { 977} (( segid " " and resid 103 and name HN )) ( segid " " and resid 99 and name HD2%) 4.000 2.000 2.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 7.935 ppm2 0.738 CV 1 ASSI { 982} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 3.100 1.200 1.200 peak 982 spectrum 1 weight 0.10000E+01 volume 0.15079E-02 ppm1 7.379 ppm2 4.280 CV 1 ASSI { 984} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 984 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 7.381 ppm2 3.953 CV 1 ASSI { 985} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HD1 )) 3.100 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 7.380 ppm2 3.625 CV 1 ASSI { 987} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HD2 )) 2.700 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 7.378 ppm2 3.105 CV 1 ASSI { 988} (( segid " " and resid 105 and name HN )) (( segid " " and resid 47 and name HE1 )) 4.100 2.100 1.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 7.377 ppm2 2.542 CV 1 OR { 988} (( segid " " and resid 105 and name HN )) (( segid " " and resid 47 and name HE2 )) ASSI { 991} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HG1 )) 3.500 1.500 1.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 7.378 ppm2 2.095 CV 1 ASSI { 994} (( segid " " and resid 105 and name HN )) ( segid " " and resid 103 and name HG1%) 3.300 1.300 1.300 peak 994 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 7.383 ppm2 1.300 CV 1 ASSI { 996} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HD2%) 3.900 1.900 1.900 peak 996 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 7.380 ppm2 0.870 CV 1 ASSI { 997} (( segid " " and resid 105 and name HN )) ( segid " " and resid 39 and name HD1%) 3.900 1.900 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 7.382 ppm2 0.749 CV 1 OR { 997} (( segid " " and resid 105 and name HN )) ( segid " " and resid 39 and name HG2%) ASSI { 1000} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 3.700 1.700 1.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.19765E-02 ppm1 7.861 ppm2 7.668 CV 1 ASSI { 1002} (( segid " " and resid 92 and name HN )) (( segid " " and resid 89 and name HB )) 3.600 1.600 1.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.23864E-02 ppm1 7.863 ppm2 4.157 CV 1 ASSI { 1005} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HG1 )) 3.900 1.900 1.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 7.865 ppm2 2.347 CV 1 ASSI { 1008} (( segid " " and resid 106 and name HN )) (( segid " " and resid 47 and name HG2 )) 3.800 1.800 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 7.866 ppm2 1.377 CV 1 OR { 1008} (( segid " " and resid 106 and name HN )) (( segid " " and resid 47 and name HG1 )) ASSI { 1009} (( segid " " and resid 106 and name HN )) ( segid " " and resid 103 and name HG1%) 3.200 1.300 1.300 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 7.866 ppm2 1.301 CV 1 ASSI { 1017} (( segid " " and resid 107 and name HN )) (( segid " " and resid 110 and name HG1 )) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 7.658 ppm2 2.686 CV 1 OR { 1017} (( segid " " and resid 107 and name HN )) (( segid " " and resid 110 and name HG2 )) ASSI { 1020} (( segid " " and resid 107 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 7.650 ppm2 2.069 CV 1 ASSI { 1021} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB2 )) 3.000 1.100 1.100 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 7.651 ppm2 1.863 CV 1 ASSI { 1022} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HN )) 3.500 1.500 1.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.466 ppm2 8.832 CV 1 ASSI { 1024} (( segid " " and resid 108 and name HN )) (( segid " " and resid 59 and name HN )) 3.200 1.300 1.300 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.466 ppm2 8.017 CV 1 ASSI { 1025} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 3.500 1.500 1.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.22546E-02 ppm1 8.466 ppm2 7.659 CV 1 ASSI { 1026} (( segid " " and resid 108 and name HN )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 8.467 ppm2 5.186 CV 1 ASSI { 1029} (( segid " " and resid 108 and name HN )) (( segid " " and resid 57 and name HB2 )) 3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 8.465 ppm2 4.022 CV 1 OR { 1029} (( segid " " and resid 108 and name HN )) (( segid " " and resid 57 and name HB1 )) ASSI { 1031} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 2.600 0.800 0.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 8.468 ppm2 3.325 CV 1 ASSI { 1032} (( segid " " and resid 108 and name HN )) (( segid " " and resid 53 and name HA2 )) 3.900 1.900 1.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 8.466 ppm2 3.417 CV 1 ASSI { 1034} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.800 1.800 1.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 8.467 ppm2 2.275 CV 1 ASSI { 1040} (( segid " " and resid 109 and name HN )) (( segid " " and resid 53 and name HN )) 3.800 3.800 2.200 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.26499E-02 ppm1 8.827 ppm2 9.240 CV 1 ASSI { 1049} (( segid " " and resid 109 and name HN )) (( segid " " and resid 60 and name HD2 )) 4.200 2.200 1.800 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 8.827 ppm2 3.509 CV 1 ASSI { 1050} (( segid " " and resid 109 and name HN )) (( segid " " and resid 53 and name HA2 )) 3.500 1.500 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 8.825 ppm2 3.410 CV 1 ASSI { 1053} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB )) 3.500 1.500 1.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.830 ppm2 2.046 CV 1 ASSI { 1055} (( segid " " and resid 109 and name HN )) (( segid " " and resid 144 and name HB2 )) 4.000 2.000 2.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.18812E-02 ppm1 8.827 ppm2 1.314 CV 1 ASSI { 1059} (( segid " " and resid 109 and name HN )) ( segid " " and resid 108 and name HG2%) 3.800 1.800 1.800 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.16543E-02 ppm1 8.829 ppm2 0.825 CV 1 ASSI { 1061} (( segid " " and resid 110 and name HN )) (( segid " " and resid 53 and name HN )) 3.500 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 8.486 ppm2 9.204 CV 1 ASSI { 1062} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) 3.700 1.700 1.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 8.481 ppm2 8.975 CV 1 ASSI { 1066} (( segid " " and resid 110 and name HN )) (( segid " " and resid 107 and name HN )) 3.400 1.400 1.400 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 8.482 ppm2 7.655 CV 1 ASSI { 1067} (( segid " " and resid 110 and name HN )) (( segid " " and resid 143 and name HA )) 3.600 1.600 1.600 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 8.481 ppm2 5.603 CV 1 ASSI { 1069} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA1 )) 3.400 1.500 1.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 8.479 ppm2 4.388 CV 1 ASSI { 1070} (( segid " " and resid 110 and name HN )) (( segid " " and resid 53 and name HA1 )) 3.300 1.400 1.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 8.479 ppm2 3.987 CV 1 ASSI { 1071} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA2 )) 3.300 1.300 1.300 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.16983E-02 ppm1 8.478 ppm2 3.715 CV 1 ASSI { 1072} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 8.478 ppm2 3.326 CV 1 ASSI { 1073} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG1 )) 3.300 1.400 1.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.477 ppm2 2.716 CV 1 OR { 1073} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HG2 )) ASSI { 1074} (( segid " " and resid 110 and name HN )) (( segid " " and resid 107 and name HB1 )) 3.500 3.500 2.500 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.15446E-02 ppm1 8.476 ppm2 2.574 CV 1 ASSI { 1075} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB1 )) 2.800 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 8.479 ppm2 2.239 CV 1 ASSI { 1076} (( segid " " and resid 110 and name HN )) (( segid " " and resid 51 and name HB )) 3.900 3.900 2.100 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 8.480 ppm2 2.109 CV 1 ASSI { 1077} (( segid " " and resid 110 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.900 1.900 1.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.478 ppm2 1.292 CV 1 ASSI { 1078} (( segid " " and resid 110 and name HN )) (( segid " " and resid 144 and name HG )) 3.500 1.600 1.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 8.479 ppm2 1.415 CV 1 ASSI { 1079} (( segid " " and resid 110 and name HN )) ( segid " " and resid 108 and name HG1%) 4.000 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 8.479 ppm2 0.900 CV 1 OR { 1079} (( segid " " and resid 110 and name HN )) ( segid " " and resid 108 and name HG2%) ASSI { 1080} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HN )) 3.300 1.400 1.400 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.21082E-02 ppm1 8.982 ppm2 9.975 CV 1 ASSI { 1086} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.900 1.000 1.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.16690E-02 ppm1 8.978 ppm2 5.600 CV 1 ASSI { 1087} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HA )) 3.100 3.100 2.900 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.23132E-02 ppm1 8.973 ppm2 5.133 CV 1 ASSI { 1089} (( segid " " and resid 111 and name HN )) (( segid " " and resid 52 and name HA )) 3.400 1.500 1.500 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.21229E-02 ppm1 8.973 ppm2 4.368 CV 1 ASSI { 1092} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HG2 )) 3.300 1.400 1.400 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 8.981 ppm2 2.705 CV 1 ASSI { 1093} (( segid " " and resid 111 and name HN )) (( segid " " and resid 144 and name HB1 )) 3.500 3.500 2.500 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 8.987 ppm2 2.408 CV 1 ASSI { 1094} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.600 1.600 1.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 8.983 ppm2 2.208 CV 1 ASSI { 1095} (( segid " " and resid 111 and name HN )) (( segid " " and resid 51 and name HB )) 2.900 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 8.980 ppm2 2.046 CV 1 ASSI { 1096} (( segid " " and resid 111 and name HN )) (( segid " " and resid 50 and name HG )) 3.500 1.600 1.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 8.974 ppm2 1.623 CV 1 ASSI { 1097} (( segid " " and resid 111 and name HN )) ( segid " " and resid 112 and name HB% ) 3.200 1.200 1.200 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 8.978 ppm2 1.534 CV 1 ASSI { 1098} (( segid " " and resid 111 and name HN )) ( segid " " and resid 111 and name HG2%) 3.700 1.700 1.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 8.976 ppm2 1.174 CV 1 ASSI { 1099} (( segid " " and resid 111 and name HN )) ( segid " " and resid 51 and name HG1%) 4.000 2.000 2.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.16690E-02 ppm1 8.981 ppm2 1.043 CV 1 ASSI { 1101} (( segid " " and resid 111 and name HN )) ( segid " " and resid 50 and name HD1%) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 8.980 ppm2 0.782 CV 1 ASSI { 1103} (( segid " " and resid 112 and name HN )) (( segid " " and resid 114 and name HN )) 3.500 3.500 2.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 9.977 ppm2 9.715 CV 1 ASSI { 1104} (( segid " " and resid 112 and name HN )) (( segid " " and resid 142 and name HN )) 3.000 1.100 1.100 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 9.968 ppm2 9.369 CV 1 ASSI { 1107} (( segid " " and resid 112 and name HN )) (( segid " " and resid 144 and name HN )) 3.600 1.600 1.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.20716E-02 ppm1 9.969 ppm2 8.436 CV 1 ASSI { 1111} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HA )) 3.200 3.200 2.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 9.964 ppm2 5.516 CV 1 ASSI { 1112} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.800 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 9.967 ppm2 5.178 CV 1 ASSI { 1113} (( segid " " and resid 112 and name HN )) (( segid " " and resid 142 and name HA )) 3.200 3.200 2.800 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.22620E-02 ppm1 9.960 ppm2 5.061 CV 1 ASSI { 1115} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 1.800 1.800 4.200 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 9.971 ppm2 4.581 CV 1 ASSI { 1116} (( segid " " and resid 112 and name HN )) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.23498E-02 ppm1 9.967 ppm2 3.944 CV 1 ASSI { 1117} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB )) 3.500 1.500 1.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 9.971 ppm2 3.768 CV 1 ASSI { 1118} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HG2 )) 3.000 1.200 1.200 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.24084E-02 ppm1 9.975 ppm2 2.693 CV 1 OR { 1118} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HG1 )) ASSI { 1120} (( segid " " and resid 112 and name HN )) (( segid " " and resid 106 and name HB1 )) 3.600 3.600 2.400 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.22839E-02 ppm1 9.965 ppm2 2.155 CV 1 ASSI { 1121} (( segid " " and resid 112 and name HN )) (( segid " " and resid 142 and name HB )) 3.500 1.600 1.600 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.15811E-02 ppm1 9.967 ppm2 1.953 CV 1 ASSI { 1122} (( segid " " and resid 112 and name HN )) (( segid " " and resid 50 and name HG )) 3.500 1.500 1.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 9.967 ppm2 1.620 CV 1 ASSI { 1125} (( segid " " and resid 112 and name HN )) ( segid " " and resid 50 and name HD2%) 4.200 2.200 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 9.966 ppm2 0.745 CV 1 ASSI { 1128} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HN )) 3.300 1.400 1.400 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 9.107 ppm2 9.960 CV 1 ASSI { 1131} (( segid " " and resid 113 and name HN )) (( segid " " and resid 142 and name HN )) 3.400 1.500 1.500 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 9.104 ppm2 9.408 CV 1 ASSI { 1135} (( segid " " and resid 113 and name HN )) (( segid " " and resid 47 and name HA )) 3.400 1.500 1.500 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 9.108 ppm2 5.920 CV 1 ASSI { 1136} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 9.103 ppm2 5.505 CV 1 ASSI { 1141} (( segid " " and resid 113 and name HN )) (( segid " " and resid 49 and name HA )) 3.900 1.900 1.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.18520E-02 ppm1 9.104 ppm2 3.954 CV 1 ASSI { 1142} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG1 )) 3.800 1.800 1.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 9.102 ppm2 2.646 CV 1 ASSI { 1143} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.500 1.500 1.500 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 9.109 ppm2 2.530 CV 1 ASSI { 1148} (( segid " " and resid 113 and name HN )) ( segid " " and resid 114 and name HG2%) 3.300 1.400 1.400 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 9.106 ppm2 0.912 CV 1 OR { 1148} (( segid " " and resid 113 and name HN )) ( segid " " and resid 114 and name HG1%) ASSI { 1149} (( segid " " and resid 113 and name HN )) ( segid " " and resid 50 and name HD1%) 3.200 1.300 1.300 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 9.103 ppm2 0.824 CV 1 ASSI { 1151} (( segid " " and resid 114 and name HN )) (( segid " " and resid 48 and name HN )) 3.300 1.300 1.300 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 9.711 ppm2 9.574 CV 1 ASSI { 1152} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 3.400 1.500 1.500 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 9.710 ppm2 9.289 CV 1 ASSI { 1153} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HN )) 3.400 1.400 1.400 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 9.714 ppm2 9.112 CV 1 ASSI { 1157} (( segid " " and resid 114 and name HN )) (( segid " " and resid 47 and name HA )) 3.500 1.500 1.500 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.24303E-02 ppm1 9.713 ppm2 5.921 CV 1 ASSI { 1159} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 2.700 0.900 0.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 9.710 ppm2 5.574 CV 1 ASSI { 1160} (( segid " " and resid 114 and name HN )) (( segid " " and resid 141 and name HA )) 3.500 1.500 1.500 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 9.713 ppm2 5.222 CV 1 ASSI { 1162} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG1 )) 2.900 1.100 1.100 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 9.714 ppm2 2.651 CV 1 ASSI { 1163} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.500 1.500 1.500 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 9.713 ppm2 2.514 CV 1 ASSI { 1165} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.900 1.900 1.900 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 9.710 ppm2 1.903 CV 1 ASSI { 1166} (( segid " " and resid 114 and name HN )) (( segid " " and resid 140 and name HG )) 2.800 1.000 1.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 9.712 ppm2 1.620 CV 1 ASSI { 1167} (( segid " " and resid 114 and name HN )) ( segid " " and resid 112 and name HB% ) 3.400 1.400 1.400 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 9.710 ppm2 1.561 CV 1 ASSI { 1168} (( segid " " and resid 114 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.300 1.400 1.400 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 9.710 ppm2 1.285 CV 1 ASSI { 1169} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HG2%) 2.900 1.000 1.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.15519E-02 ppm1 9.712 ppm2 0.902 CV 1 ASSI { 1170} (( segid " " and resid 114 and name HN )) ( segid " " and resid 140 and name HD2%) 3.800 1.800 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 9.706 ppm2 0.704 CV 1 ASSI { 1171} (( segid " " and resid 115 and name HN )) (( segid " " and resid 140 and name HN )) 3.200 3.200 2.800 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 9.298 ppm2 9.911 CV 1 ASSI { 1178} (( segid " " and resid 115 and name HN )) (( segid " " and resid 36 and name HE3 )) 3.200 1.300 1.300 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 9.290 ppm2 7.201 CV 1 ASSI { 1179} (( segid " " and resid 115 and name HN )) (( segid " " and resid 36 and name HZ3 )) 2.100 0.600 0.600 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.16837E-02 ppm1 9.294 ppm2 6.999 CV 1 OR { 1179} (( segid " " and resid 115 and name HN )) (( segid " " and resid 36 and name HH2 )) ASSI { 1181} (( segid " " and resid 115 and name HN )) (( segid " " and resid 47 and name HA )) 3.800 1.800 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.16910E-02 ppm1 9.294 ppm2 5.927 CV 1 ASSI { 1184} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HA )) 3.100 3.100 2.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 9.294 ppm2 5.376 CV 1 ASSI { 1185} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.600 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 9.294 ppm2 5.118 CV 1 ASSI { 1188} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB )) 2.700 0.900 0.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 9.296 ppm2 4.113 CV 1 ASSI { 1189} (( segid " " and resid 115 and name HN )) (( segid " " and resid 113 and name HG1 )) 3.800 1.800 1.800 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 9.288 ppm2 2.637 CV 1 ASSI { 1190} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB )) 3.400 1.400 1.400 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 9.294 ppm2 2.023 CV 1 ASSI { 1191} (( segid " " and resid 115 and name HN )) (( segid " " and resid 46 and name HB2 )) 3.200 1.300 1.300 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 9.294 ppm2 1.763 CV 1 OR { 1191} (( segid " " and resid 115 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 1192} (( segid " " and resid 115 and name HN )) (( segid " " and resid 46 and name HG2 )) 1.800 1.800 4.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 9.290 ppm2 1.340 CV 1 ASSI { 1194} (( segid " " and resid 115 and name HN )) ( segid " " and resid 114 and name HG2%) 4.100 2.100 1.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 9.294 ppm2 0.858 CV 1 ASSI { 1195} (( segid " " and resid 115 and name HN )) ( segid " " and resid 45 and name HD1%) 3.300 1.300 1.300 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 9.291 ppm2 0.776 CV 1 ASSI { 1199} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HN )) 3.500 3.500 2.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.22693E-02 ppm1 8.635 ppm2 9.687 CV 1 ASSI { 1200} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) 3.000 1.200 1.200 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.27231E-02 ppm1 8.641 ppm2 9.318 CV 1 ASSI { 1201} (( segid " " and resid 116 and name HN )) (( segid " " and resid 138 and name HN )) 3.000 1.100 1.100 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.16543E-02 ppm1 8.643 ppm2 8.266 CV 1 ASSI { 1202} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HN )) 3.500 1.500 1.500 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 8.637 ppm2 8.164 CV 1 ASSI { 1203} (( segid " " and resid 116 and name HN )) (( segid " " and resid 36 and name HH2 )) 3.500 3.500 2.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 8.648 ppm2 7.016 CV 1 ASSI { 1204} (( segid " " and resid 116 and name HN )) (( segid " " and resid 138 and name HA )) 3.400 1.500 1.500 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.15958E-02 ppm1 8.641 ppm2 5.208 CV 1 ASSI { 1206} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA )) 2.900 1.000 1.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.16543E-02 ppm1 8.640 ppm2 5.334 CV 1 ASSI { 1207} (( segid " " and resid 116 and name HN )) (( segid " " and resid 137 and name HA )) 3.300 3.300 2.700 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.638 ppm2 4.644 CV 1 ASSI { 1208} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB )) 3.900 1.900 1.900 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 8.641 ppm2 4.115 CV 1 ASSI { 1210} (( segid " " and resid 116 and name HN )) (( segid " " and resid 138 and name HB1 )) 2.900 1.000 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 8.642 ppm2 1.878 CV 1 ASSI { 1211} (( segid " " and resid 116 and name HN )) (( segid " " and resid 138 and name HB2 )) 3.200 1.300 1.300 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 8.640 ppm2 1.384 CV 1 ASSI { 1212} (( segid " " and resid 116 and name HN )) ( segid " " and resid 115 and name HG2%) 3.400 1.400 1.400 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 8.639 ppm2 1.162 CV 1 ASSI { 1213} (( segid " " and resid 116 and name HN )) ( segid " " and resid 138 and name HD2%) 3.600 1.600 1.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 8.643 ppm2 0.851 CV 1 ASSI { 1215} (( segid " " and resid 117 and name HN )) (( segid " " and resid 119 and name HN )) 4.200 2.200 1.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.21082E-02 ppm1 8.162 ppm2 9.138 CV 1 ASSI { 1217} (( segid " " and resid 117 and name HN )) ( segid " " and resid 120 and name HD% ) 2.900 1.000 1.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 8.159 ppm2 6.908 CV 1 ASSI { 1219} (( segid " " and resid 117 and name HN )) ( segid " " and resid 120 and name HE% ) 3.900 1.900 1.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 8.156 ppm2 6.691 CV 1 ASSI { 1221} (( segid " " and resid 117 and name HN )) (( segid " " and resid 115 and name HA )) 4.000 2.000 2.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.16690E-02 ppm1 8.163 ppm2 5.088 CV 1 ASSI { 1222} (( segid " " and resid 117 and name HN )) (( segid " " and resid 45 and name HA )) 3.400 1.400 1.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 8.166 ppm2 5.237 CV 1 ASSI { 1233} (( segid " " and resid 118 and name HN )) (( segid " " and resid 137 and name HN )) 3.200 1.300 1.300 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 8.611 ppm2 8.388 CV 1 ASSI { 1234} (( segid " " and resid 118 and name HN )) (( segid " " and resid 138 and name HN )) 3.400 1.400 1.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 8.620 ppm2 8.267 CV 1 ASSI { 1235} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HN )) 3.600 1.600 1.600 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.612 ppm2 8.158 CV 1 ASSI { 1236} (( segid " " and resid 118 and name HN )) (( segid " " and resid 120 and name HN )) 3.200 1.300 1.300 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 8.608 ppm2 7.587 CV 1 ASSI { 1237} (( segid " " and resid 118 and name HN )) (( segid " " and resid 136 and name HN )) 3.300 1.300 1.300 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 8.616 ppm2 7.414 CV 1 ASSI { 1238} (( segid " " and resid 118 and name HN )) ( segid " " and resid 120 and name HD% ) 3.800 1.800 1.800 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 8.613 ppm2 6.912 CV 1 ASSI { 1242} (( segid " " and resid 118 and name HN )) (( segid " " and resid 137 and name HA )) 3.300 1.400 1.400 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 8.616 ppm2 4.628 CV 1 ASSI { 1252} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HD2 )) 4.100 2.100 1.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.21229E-02 ppm1 8.619 ppm2 1.348 CV 1 ASSI { 1254} (( segid " " and resid 119 and name HN )) (( segid " " and resid 123 and name HN )) 2.900 1.000 1.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.25181E-02 ppm1 9.138 ppm2 8.020 CV 1 ASSI { 1255} (( segid " " and resid 119 and name HN )) (( segid " " and resid 121 and name HN )) 3.200 1.200 1.200 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 9.139 ppm2 7.724 CV 1 ASSI { 1260} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.900 1.100 1.100 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.13469E-02 ppm1 9.139 ppm2 3.956 CV 1 ASSI { 1262} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB1 )) 2.600 0.900 0.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 9.139 ppm2 3.567 CV 1 ASSI { 1263} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.200 1.300 1.300 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 9.143 ppm2 3.510 CV 1 ASSI { 1265} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HB1 )) 2.700 0.900 0.900 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 9.143 ppm2 2.969 CV 1 ASSI { 1266} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HE2 )) 3.200 1.300 1.300 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.16690E-02 ppm1 9.142 ppm2 2.745 CV 1 ASSI { 1269} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HD1 )) 4.000 2.000 2.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 9.141 ppm2 1.461 CV 1 ASSI { 1270} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HD2 )) 4.000 2.000 2.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 9.137 ppm2 1.369 CV 1 ASSI { 1273} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG1 )) 3.500 1.500 1.500 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 9.140 ppm2 0.902 CV 1 ASSI { 1274} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG2 )) 2.100 0.500 0.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 9.138 ppm2 0.591 CV 1 ASSI { 1278} (( segid " " and resid 120 and name HN )) (( segid " " and resid 117 and name HN )) 3.200 1.300 1.300 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 7.591 ppm2 8.161 CV 1 ASSI { 1279} (( segid " " and resid 120 and name HN )) (( segid " " and resid 123 and name HN )) 3.300 3.300 2.700 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 7.595 ppm2 8.021 CV 1 ASSI { 1285} (( segid " " and resid 120 and name HN )) ( segid " " and resid 120 and name HE% ) 3.900 1.900 1.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 7.596 ppm2 6.675 CV 1 ASSI { 1287} (( segid " " and resid 120 and name HN )) (( segid " " and resid 116 and name HA )) 3.700 1.700 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 7.584 ppm2 5.365 CV 1 ASSI { 1289} (( segid " " and resid 120 and name HN )) (( segid " " and resid 121 and name HA )) 3.500 1.500 1.500 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 7.596 ppm2 4.461 CV 1 ASSI { 1290} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB1 )) 3.500 1.500 1.500 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 7.591 ppm2 3.262 CV 1 ASSI { 1292} (( segid " " and resid 120 and name HN )) (( segid " " and resid 117 and name HB1 )) 3.100 1.200 1.200 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 7.595 ppm2 2.992 CV 1 ASSI { 1295} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB1 )) 3.600 1.600 1.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 7.597 ppm2 1.636 CV 1 ASSI { 1296} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HD2 )) 3.800 1.800 1.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 7.591 ppm2 1.359 CV 1 ASSI { 1297} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.400 1.500 1.500 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 7.593 ppm2 1.241 CV 1 ASSI { 1298} (( segid " " and resid 120 and name HN )) ( segid " " and resid 116 and name HB% ) 3.700 1.700 1.700 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 7.595 ppm2 1.112 CV 1 ASSI { 1299} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG1 )) 2.600 0.800 0.800 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 7.595 ppm2 0.907 CV 1 ASSI { 1300} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG2 )) 2.500 0.800 0.800 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 7.597 ppm2 0.586 CV 1 ASSI { 1304} (( segid " " and resid 121 and name HN )) (( segid " " and resid 98 and name HN )) 3.300 3.300 2.700 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 7.722 ppm2 8.979 CV 1 ASSI { 1311} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 7.719 ppm2 4.694 CV 1 ASSI { 1313} (( segid " " and resid 121 and name HN )) (( segid " " and resid 123 and name HA1 )) 3.400 3.400 2.600 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.21961E-02 ppm1 7.730 ppm2 4.156 CV 1 ASSI { 1315} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.700 3.700 2.300 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 7.719 ppm2 3.494 CV 1 ASSI { 1318} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.900 1.000 1.000 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 7.720 ppm2 2.645 CV 1 ASSI { 1319} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.300 1.300 1.300 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 7.726 ppm2 2.549 CV 1 ASSI { 1321} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.500 1.500 1.500 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 7.726 ppm2 1.249 CV 1 ASSI { 1322} (( segid " " and resid 121 and name HN )) ( segid " " and resid 96 and name HD1%) 3.600 1.600 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 7.734 ppm2 0.806 CV 1 ASSI { 1324} (( segid " " and resid 122 and name HN )) (( segid " " and resid 138 and name HN )) 3.800 3.800 2.200 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.24522E-02 ppm1 9.381 ppm2 8.254 CV 1 ASSI { 1326} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 3.000 1.100 1.100 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 9.377 ppm2 7.730 CV 1 ASSI { 1327} (( segid " " and resid 122 and name HN )) (( segid " " and resid 125 and name HE21)) 3.100 1.200 1.200 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 9.373 ppm2 7.526 CV 1 ASSI { 1328} (( segid " " and resid 122 and name HN )) (( segid " " and resid 136 and name HN )) 4.100 2.100 1.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 9.383 ppm2 7.405 CV 1 ASSI { 1330} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HD% ) 3.000 1.100 1.100 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 9.379 ppm2 7.089 CV 1 ASSI { 1332} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HE% ) 3.700 1.700 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 9.388 ppm2 6.616 CV 1 ASSI { 1334} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 2.800 1.000 1.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 9.381 ppm2 4.495 CV 1 ASSI { 1337} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB1 )) 3.400 1.500 1.500 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 9.374 ppm2 3.058 CV 1 ASSI { 1338} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 9.379 ppm2 2.645 CV 1 ASSI { 1339} (( segid " " and resid 122 and name HN )) (( segid " " and resid 96 and name HB )) 3.700 3.700 2.300 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 9.378 ppm2 2.122 CV 1 ASSI { 1340} (( segid " " and resid 122 and name HN )) ( segid " " and resid 136 and name HB% ) 3.500 3.500 2.500 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.24449E-02 ppm1 9.374 ppm2 1.230 CV 1 ASSI { 1343} (( segid " " and resid 122 and name HN )) ( segid " " and resid 96 and name HG2%) 3.600 1.700 1.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.24230E-02 ppm1 9.385 ppm2 0.230 CV 1 ASSI { 1346} (( segid " " and resid 123 and name HN )) (( segid " " and resid 118 and name HN )) 3.700 1.700 1.700 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 7.987 ppm2 8.628 CV 1 ASSI { 1350} (( segid " " and resid 123 and name HN )) (( segid " " and resid 134 and name HA )) 4.000 2.000 2.000 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.23132E-02 ppm1 7.994 ppm2 4.358 CV 1 ASSI { 1351} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA1 )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 7.988 ppm2 4.147 CV 1 ASSI { 1352} (( segid " " and resid 123 and name HN )) (( segid " " and resid 135 and name HA )) 3.800 1.800 1.800 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 7.988 ppm2 3.850 CV 1 ASSI { 1354} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB1 )) 3.600 1.600 1.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 7.988 ppm2 3.055 CV 1 ASSI { 1358} (( segid " " and resid 123 and name HN )) ( segid " " and resid 132 and name HG2%) 3.500 3.500 2.500 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.21302E-02 ppm1 7.987 ppm2 0.944 CV 1 OR { 1358} (( segid " " and resid 123 and name HN )) (( segid " " and resid 132 and name HG11)) ASSI { 1362} (( segid " " and resid 125 and name HN )) (( segid " " and resid 123 and name HN )) 2.900 1.000 1.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 8.075 ppm2 8.019 CV 1 ASSI { 1369} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HD1 )) 3.100 1.200 1.200 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 8.074 ppm2 3.926 CV 1 OR { 1369} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) ASSI { 1370} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HD2 )) 2.800 1.000 1.000 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 8.076 ppm2 3.559 CV 1 ASSI { 1371} (( segid " " and resid 125 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.800 1.800 1.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 8.074 ppm2 2.668 CV 1 ASSI { 1372} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HG1 )) 2.700 0.900 0.900 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.075 ppm2 2.537 CV 1 ASSI { 1376} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB2 )) 3.200 1.300 1.300 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 8.075 ppm2 1.895 CV 1 OR { 1376} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG2 )) ASSI { 1377} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 3.800 1.800 1.800 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 7.064 ppm2 8.493 CV 1 ASSI { 1380} (( segid " " and resid 126 and name HN )) ( segid " " and resid 131 and name HD% ) 3.400 3.400 2.600 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 7.060 ppm2 7.232 CV 1 ASSI { 1381} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HE22)) 1.800 1.800 4.200 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 7.060 ppm2 6.894 CV 1 ASSI { 1383} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 3.400 1.400 1.400 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.17496E-02 ppm1 7.065 ppm2 4.139 CV 1 ASSI { 1386} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HB1 )) 2.900 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 7.068 ppm2 3.063 CV 1 ASSI { 1387} (( segid " " and resid 126 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.300 1.300 1.300 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.15958E-02 ppm1 7.063 ppm2 2.677 CV 1 ASSI { 1388} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HG1 )) 3.400 1.400 1.400 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.18886E-02 ppm1 7.063 ppm2 2.559 CV 1 ASSI { 1389} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HG2 )) 4.000 2.000 2.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 7.057 ppm2 2.383 CV 1 ASSI { 1391} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.000 1.100 1.100 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 7.066 ppm2 2.116 CV 1 ASSI { 1392} (( segid " " and resid 126 and name HN )) ( segid " " and resid 132 and name HG2%) 3.700 1.700 1.700 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.22839E-02 ppm1 7.070 ppm2 0.944 CV 1 OR { 1392} (( segid " " and resid 126 and name HN )) (( segid " " and resid 132 and name HG11)) ASSI { 1393} (( segid " " and resid 126 and name HN )) ( segid " " and resid 132 and name HD1%) 3.800 3.800 2.200 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.24522E-02 ppm1 7.074 ppm2 0.508 CV 1 ASSI { 1397} (( segid " " and resid 127 and name HN )) (( segid " " and resid 122 and name HN )) 3.500 3.500 2.500 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.24010E-02 ppm1 8.489 ppm2 9.429 CV 1 ASSI { 1406} (( segid " " and resid 127 and name HN )) (( segid " " and resid 130 and name HA )) 3.600 1.600 1.600 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 8.488 ppm2 4.721 CV 1 ASSI { 1408} (( segid " " and resid 127 and name HN )) (( segid " " and resid 132 and name HA )) 3.700 1.700 1.700 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 8.486 ppm2 4.080 CV 1 ASSI { 1411} (( segid " " and resid 127 and name HN )) (( segid " " and resid 130 and name HD2 )) 3.100 1.200 1.200 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 8.487 ppm2 3.425 CV 1 ASSI { 1412} (( segid " " and resid 127 and name HN )) (( segid " " and resid 131 and name HB1 )) 4.600 2.600 1.400 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.15592E-02 ppm1 8.488 ppm2 2.996 CV 1 ASSI { 1415} (( segid " " and resid 127 and name HN )) (( segid " " and resid 132 and name HG11)) 3.400 1.400 1.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 8.486 ppm2 1.008 CV 1 ASSI { 1418} (( segid " " and resid 127 and name HN )) ( segid " " and resid 132 and name HD1%) 3.300 1.400 1.400 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 8.495 ppm2 0.441 CV 1 ASSI { 1426} (( segid " " and resid 131 and name HN )) (( segid " " and resid 127 and name HN )) 3.700 1.700 1.700 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 8.657 ppm2 8.553 CV 1 ASSI { 1427} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HN )) 3.300 1.400 1.400 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.647 ppm2 8.208 CV 1 ASSI { 1428} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) 3.700 1.700 1.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 8.655 ppm2 7.855 CV 1 ASSI { 1429} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HD% ) 3.900 1.900 1.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 8.658 ppm2 7.162 CV 1 ASSI { 1434} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) 4.200 2.200 1.800 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 8.660 ppm2 2.332 CV 1 ASSI { 1435} (( segid " " and resid 75 and name HN )) ( segid " " and resid 137 and name HB% ) 3.900 1.900 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 8.659 ppm2 1.449 CV 1 ASSI { 1442} (( segid " " and resid 132 and name HN )) ( segid " " and resid 131 and name HD% ) 3.100 1.200 1.200 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 7.854 ppm2 7.181 CV 1 ASSI { 1445} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HA )) 1.800 1.800 4.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 7.854 ppm2 4.771 CV 1 ASSI { 1449} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA )) 2.600 0.900 0.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.18374E-02 ppm1 7.854 ppm2 4.094 CV 1 ASSI { 1451} (( segid " " and resid 132 and name HN )) (( segid " " and resid 126 and name HA2 )) 2.500 0.800 0.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.23278E-02 ppm1 7.850 ppm2 3.487 CV 1 ASSI { 1452} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HD2 )) 3.200 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 7.855 ppm2 3.379 CV 1 ASSI { 1453} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) 4.200 2.200 1.800 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 7.857 ppm2 2.990 CV 1 ASSI { 1454} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB2 )) 4.100 2.100 1.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 7.856 ppm2 2.799 CV 1 ASSI { 1455} (( segid " " and resid 132 and name HN )) (( segid " " and resid 127 and name HB2 )) 3.400 1.400 1.400 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 7.859 ppm2 2.739 CV 1 ASSI { 1456} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HB2 )) 3.200 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.23864E-02 ppm1 7.858 ppm2 1.807 CV 1 OR { 1456} (( segid " " and resid 132 and name HN )) (( segid " " and resid 130 and name HG1 )) ASSI { 1459} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HG11)) 3.000 1.200 1.200 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 7.856 ppm2 0.982 CV 1 OR { 1459} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HG2%) ASSI { 1460} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HG2%) 3.500 1.600 1.600 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 7.856 ppm2 0.948 CV 1 ASSI { 1462} (( segid " " and resid 132 and name HN )) ( segid " " and resid 132 and name HD1%) 3.000 1.100 1.100 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 7.854 ppm2 0.440 CV 1 ASSI { 1470} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) 2.400 0.700 0.700 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.22253E-02 ppm1 7.667 ppm2 4.433 CV 1 ASSI { 1472} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 3.600 1.700 1.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.15519E-02 ppm1 7.662 ppm2 3.212 CV 1 ASSI { 1473} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) 2.900 1.100 1.100 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 7.662 ppm2 3.285 CV 1 ASSI { 1475} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HB1 )) 3.500 1.500 1.500 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 7.660 ppm2 2.290 CV 1 ASSI { 1478} (( segid " " and resid 135 and name HN )) ( segid " " and resid 132 and name HG2%) 3.800 1.800 1.800 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 7.661 ppm2 0.924 CV 1 ASSI { 1482} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 3.800 1.800 1.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 7.406 ppm2 8.409 CV 1 ASSI { 1487} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 3.100 1.200 1.200 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.16543E-02 ppm1 7.406 ppm2 3.863 CV 1 ASSI { 1488} (( segid " " and resid 136 and name HN )) (( segid " " and resid 118 and name HB1 )) 2.700 0.900 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 7.407 ppm2 3.578 CV 1 ASSI { 1489} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HD2 )) 1.800 1.800 4.200 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.23937E-02 ppm1 7.406 ppm2 3.697 CV 1 ASSI { 1490} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) 3.300 1.300 1.300 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 7.403 ppm2 3.229 CV 1 ASSI { 1491} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB1 )) 3.200 1.300 1.300 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.19984E-02 ppm1 7.404 ppm2 3.285 CV 1 ASSI { 1492} (( segid " " and resid 136 and name HN )) (( segid " " and resid 132 and name HB )) 3.900 1.900 1.900 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.13762E-02 ppm1 7.406 ppm2 1.189 CV 1 ASSI { 1497} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 3.500 1.500 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.22326E-02 ppm1 8.400 ppm2 8.236 CV 1 ASSI { 1502} (( segid " " and resid 137 and name HN )) (( segid " " and resid 135 and name HA )) 1.800 1.800 4.200 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.24157E-02 ppm1 8.396 ppm2 3.871 CV 1 ASSI { 1503} (( segid " " and resid 137 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.300 1.400 1.400 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 8.404 ppm2 3.554 CV 1 ASSI { 1510} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HN )) 3.700 1.700 1.700 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.19911E-02 ppm1 8.267 ppm2 8.851 CV 1 ASSI { 1514} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HA )) 3.000 1.100 1.100 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.16324E-02 ppm1 8.259 ppm2 5.231 CV 1 ASSI { 1515} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HA )) 3.400 3.400 2.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.19544E-02 ppm1 8.259 ppm2 5.118 CV 1 ASSI { 1517} (( segid " " and resid 138 and name HN )) (( segid " " and resid 117 and name HA )) 3.500 1.500 1.500 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 8.259 ppm2 4.474 CV 1 ASSI { 1518} (( segid " " and resid 138 and name HN )) (( segid " " and resid 75 and name HA )) 3.400 3.400 2.600 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 8.260 ppm2 3.937 CV 1 ASSI { 1519} (( segid " " and resid 138 and name HN )) (( segid " " and resid 117 and name HB1 )) 1.800 1.800 4.200 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.24157E-02 ppm1 8.261 ppm2 3.051 CV 1 ASSI { 1522} (( segid " " and resid 138 and name HN )) ( segid " " and resid 137 and name HB% ) 3.900 1.900 1.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.13762E-02 ppm1 8.258 ppm2 1.436 CV 1 ASSI { 1523} (( segid " " and resid 138 and name HN )) ( segid " " and resid 116 and name HB% ) 3.200 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 8.258 ppm2 1.089 CV 1 ASSI { 1524} (( segid " " and resid 138 and name HN )) ( segid " " and resid 74 and name HD2%) 3.900 1.900 1.900 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 8.257 ppm2 0.838 CV 1 ASSI { 1530} (( segid " " and resid 139 and name HN )) (( segid " " and resid 73 and name HA )) 2.800 2.800 3.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.22473E-02 ppm1 8.836 ppm2 5.515 CV 1 ASSI { 1533} (( segid " " and resid 139 and name HN )) (( segid " " and resid 72 and name HA )) 3.600 1.700 1.700 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 8.823 ppm2 4.880 CV 1 ASSI { 1534} (( segid " " and resid 139 and name HN )) (( segid " " and resid 74 and name HA )) 3.100 1.200 1.200 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.21156E-02 ppm1 8.826 ppm2 4.723 CV 1 ASSI { 1535} (( segid " " and resid 139 and name HN )) (( segid " " and resid 75 and name HA )) 3.100 3.100 2.900 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 8.834 ppm2 3.975 CV 1 ASSI { 1536} (( segid " " and resid 139 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 8.829 ppm2 3.718 CV 1 OR { 1536} (( segid " " and resid 139 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 1540} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB1 )) 3.100 1.200 1.200 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 8.828 ppm2 1.883 CV 1 ASSI { 1545} (( segid " " and resid 139 and name HN )) ( segid " " and resid 72 and name HG2%) 3.200 1.300 1.300 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 8.828 ppm2 1.155 CV 1 ASSI { 1550} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HN )) 3.500 1.500 1.500 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 9.910 ppm2 9.191 CV 1 ASSI { 1551} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 3.200 1.300 1.300 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.20424E-02 ppm1 9.913 ppm2 8.839 CV 1 ASSI { 1552} (( segid " " and resid 140 and name HN )) (( segid " " and resid 116 and name HN )) 3.600 1.600 1.600 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 9.911 ppm2 8.641 CV 1 ASSI { 1553} (( segid " " and resid 140 and name HN )) (( segid " " and resid 113 and name HA )) 3.300 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 9.914 ppm2 5.502 CV 1 ASSI { 1554} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HA )) 2.700 0.900 0.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 9.911 ppm2 5.268 CV 1 ASSI { 1557} (( segid " " and resid 140 and name HN )) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.23132E-02 ppm1 9.905 ppm2 4.866 CV 1 ASSI { 1558} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.600 1.600 1.600 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 9.910 ppm2 2.883 CV 1 ASSI { 1559} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 3.800 1.800 1.800 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 9.910 ppm2 2.675 CV 1 ASSI { 1560} (( segid " " and resid 140 and name HN )) (( segid " " and resid 113 and name HG2 )) 3.400 1.500 1.500 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 9.916 ppm2 2.521 CV 1 ASSI { 1561} (( segid " " and resid 140 and name HN )) (( segid " " and resid 114 and name HB )) 3.500 1.500 1.500 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 9.909 ppm2 2.025 CV 1 ASSI { 1564} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.500 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.17348E-02 ppm1 9.910 ppm2 1.284 CV 1 ASSI { 1565} (( segid " " and resid 140 and name HN )) ( segid " " and resid 72 and name HG2%) 3.600 1.600 1.600 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.18739E-02 ppm1 9.910 ppm2 1.139 CV 1 ASSI { 1566} (( segid " " and resid 140 and name HN )) ( segid " " and resid 114 and name HG1%) 3.700 1.700 1.700 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.16690E-02 ppm1 9.912 ppm2 0.917 CV 1 ASSI { 1567} (( segid " " and resid 140 and name HN )) ( segid " " and resid 114 and name HG2%) 3.800 1.800 1.800 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 9.911 ppm2 0.833 CV 1 ASSI { 1568} (( segid " " and resid 140 and name HN )) ( segid " " and resid 140 and name HD2%) 3.800 1.800 1.800 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.17496E-02 ppm1 9.911 ppm2 0.694 CV 1 ASSI { 1571} (( segid " " and resid 141 and name HN )) (( segid " " and resid 114 and name HN )) 3.500 1.500 1.500 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 9.193 ppm2 9.695 CV 1 ASSI { 1572} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 3.500 1.500 1.500 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 9.187 ppm2 9.338 CV 1 ASSI { 1574} (( segid " " and resid 141 and name HN )) (( segid " " and resid 113 and name HA )) 3.600 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 9.191 ppm2 5.491 CV 1 ASSI { 1575} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 2.900 1.100 1.100 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.13542E-02 ppm1 9.189 ppm2 5.279 CV 1 ASSI { 1577} (( segid " " and resid 141 and name HN )) (( segid " " and resid 72 and name HA )) 3.600 1.700 1.700 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 9.188 ppm2 4.881 CV 1 ASSI { 1581} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG2 )) 3.900 1.900 1.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 9.189 ppm2 1.953 CV 1 ASSI { 1582} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HG1 )) 4.000 2.000 2.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 9.189 ppm2 2.008 CV 1 ASSI { 1584} (( segid " " and resid 141 and name HN )) ( segid " " and resid 142 and name HG2%) 4.100 2.100 1.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 9.188 ppm2 0.827 CV 1 ASSI { 1585} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) 3.400 1.400 1.400 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 9.190 ppm2 0.926 CV 1 ASSI { 1586} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD2%) 1.800 1.800 4.200 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 9.186 ppm2 0.711 CV 1 ASSI { 1589} (( segid " " and resid 142 and name HN )) (( segid " " and resid 114 and name HN )) 3.400 1.500 1.500 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.22034E-02 ppm1 9.365 ppm2 9.703 CV 1 ASSI { 1592} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) 3.300 1.400 1.400 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 9.364 ppm2 9.162 CV 1 ASSI { 1594} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HA )) 3.100 3.100 2.900 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 9.360 ppm2 5.581 CV 1 ASSI { 1595} (( segid " " and resid 142 and name HN )) (( segid " " and resid 113 and name HA )) 3.400 1.500 1.500 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 9.359 ppm2 5.507 CV 1 ASSI { 1599} (( segid " " and resid 142 and name HN )) (( segid " " and resid 68 and name HB )) 3.700 3.700 2.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 9.364 ppm2 2.181 CV 1 ASSI { 1600} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HG1 )) 3.000 1.200 1.200 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 9.362 ppm2 2.013 CV 1 ASSI { 1602} (( segid " " and resid 142 and name HN )) ( segid " " and resid 112 and name HB% ) 3.200 1.300 1.300 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.23571E-02 ppm1 9.365 ppm2 1.524 CV 1 ASSI { 1603} (( segid " " and resid 142 and name HN )) ( segid " " and resid 111 and name HG2%) 3.400 1.400 1.400 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 9.359 ppm2 1.181 CV 1 ASSI { 1606} (( segid " " and resid 143 and name HN )) (( segid " " and resid 112 and name HN )) 3.300 3.300 2.700 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 9.168 ppm2 9.948 CV 1 ASSI { 1609} (( segid " " and resid 143 and name HN )) (( segid " " and resid 144 and name HN )) 3.400 1.400 1.400 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 9.170 ppm2 8.419 CV 1 ASSI { 1616} (( segid " " and resid 143 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.400 1.400 1.400 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 9.174 ppm2 3.182 CV 1 ASSI { 1617} (( segid " " and resid 143 and name HN )) (( segid " " and resid 69 and name HB2 )) 4.400 2.500 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 9.168 ppm2 3.080 CV 1 ASSI { 1618} (( segid " " and resid 143 and name HN )) (( segid " " and resid 68 and name HB )) 2.900 1.100 1.100 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 9.173 ppm2 2.218 CV 1 ASSI { 1619} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HG1 )) 3.100 1.200 1.200 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.25474E-02 ppm1 9.168 ppm2 2.067 CV 1 ASSI { 1620} (( segid " " and resid 143 and name HN )) (( segid " " and resid 141 and name HG2 )) 2.900 2.900 3.100 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 9.172 ppm2 1.936 CV 1 ASSI { 1622} (( segid " " and resid 143 and name HN )) ( segid " " and resid 111 and name HG2%) 3.400 1.500 1.500 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 9.177 ppm2 1.159 CV 1 ASSI { 1623} (( segid " " and resid 143 and name HN )) ( segid " " and resid 68 and name HG1%) 3.500 1.500 1.500 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 9.168 ppm2 1.046 CV 1 ASSI { 1628} (( segid " " and resid 144 and name HN )) (( segid " " and resid 109 and name HN )) 3.400 1.500 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.22107E-02 ppm1 8.411 ppm2 8.838 CV 1 ASSI { 1629} (( segid " " and resid 144 and name HN )) (( segid " " and resid 145 and name HN )) 3.400 1.400 1.400 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.20570E-02 ppm1 8.416 ppm2 8.973 CV 1 ASSI { 1634} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) 2.900 1.000 1.000 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 8.416 ppm2 4.647 CV 1 ASSI { 1636} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HB )) 3.300 1.400 1.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 8.413 ppm2 4.047 CV 1 ASSI { 1638} (( segid " " and resid 144 and name HN )) ( segid " " and resid 106 and name HE% ) 3.100 1.200 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 8.414 ppm2 1.955 CV 1 ASSI { 1642} (( segid " " and resid 144 and name HN )) ( segid " " and resid 111 and name HG2%) 1.800 1.800 4.200 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.21082E-02 ppm1 8.413 ppm2 1.160 CV 1 ASSI { 1644} (( segid " " and resid 144 and name HN )) ( segid " " and resid 144 and name HD1%) 3.900 1.900 1.900 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 8.416 ppm2 0.839 CV 1 ASSI { 1645} (( segid " " and resid 145 and name HN )) (( segid " " and resid 69 and name HN )) 3.300 1.300 1.300 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 8.955 ppm2 8.737 CV 1 ASSI { 1650} (( segid " " and resid 145 and name HN )) (( segid " " and resid 67 and name HA )) 3.200 3.200 2.800 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 8.969 ppm2 5.313 CV 1 ASSI { 1652} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HA )) 3.800 1.800 1.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.20130E-02 ppm1 8.959 ppm2 4.524 CV 1 ASSI { 1653} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA )) 2.900 1.100 1.100 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 8.957 ppm2 4.319 CV 1 ASSI { 1654} (( segid " " and resid 145 and name HN )) (( segid " " and resid 67 and name HB )) 3.400 1.500 1.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 8.958 ppm2 3.987 CV 1 ASSI { 1655} (( segid " " and resid 145 and name HN )) (( segid " " and resid 108 and name HA )) 1.700 1.700 4.300 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.25328E-02 ppm1 8.959 ppm2 3.322 CV 1 ASSI { 1656} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HE1 )) 3.800 1.800 1.800 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.24376E-02 ppm1 8.954 ppm2 2.964 CV 1 OR { 1656} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HE2 )) ASSI { 1657} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB1 )) 3.500 1.600 1.600 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.21229E-02 ppm1 8.958 ppm2 2.331 CV 1 ASSI { 1658} (( segid " " and resid 145 and name HN )) (( segid " " and resid 68 and name HB )) 1.800 1.800 4.200 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.22766E-02 ppm1 8.959 ppm2 2.197 CV 1 ASSI { 1659} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) 3.200 1.300 1.300 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.23278E-02 ppm1 8.957 ppm2 1.869 CV 1 ASSI { 1660} (( segid " " and resid 145 and name HN )) (( segid " " and resid 66 and name HB )) 3.800 1.800 1.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.16543E-02 ppm1 8.957 ppm2 1.670 CV 1 ASSI { 1662} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HG )) 3.200 1.300 1.300 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.18447E-02 ppm1 8.957 ppm2 1.407 CV 1 ASSI { 1663} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) 3.800 1.800 1.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.20057E-02 ppm1 8.958 ppm2 1.295 CV 1 ASSI { 1664} (( segid " " and resid 145 and name HN )) ( segid " " and resid 143 and name HG2%) 3.400 1.400 1.400 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.18301E-02 ppm1 8.956 ppm2 1.053 CV 1 ASSI { 1667} (( segid " " and resid 145 and name HN )) ( segid " " and resid 66 and name HG2%) 1.800 1.800 4.200 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.22546E-02 ppm1 8.960 ppm2 0.028 CV 1 ASSI { 1671} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HN )) 3.600 1.600 1.600 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.19325E-02 ppm1 7.360 ppm2 8.290 CV 1 ASSI { 1673} (( segid " " and resid 146 and name HN )) (( segid " " and resid 68 and name HA )) 3.600 1.600 1.600 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 7.356 ppm2 5.600 CV 1 ASSI { 1676} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 3.200 1.300 1.300 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 7.360 ppm2 4.312 CV 1 ASSI { 1677} (( segid " " and resid 146 and name HN )) (( segid " " and resid 67 and name HB )) 3.700 1.700 1.700 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 7.360 ppm2 3.982 CV 1 ASSI { 1678} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HA )) 3.400 1.400 1.400 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 7.361 ppm2 4.653 CV 1 ASSI { 1679} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HB1 )) 1.800 1.800 4.200 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 7.358 ppm2 2.362 CV 1 ASSI { 1681} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG1 )) 3.700 1.700 1.700 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.14933E-02 ppm1 7.360 ppm2 1.596 CV 1 ASSI { 1682} (( segid " " and resid 146 and name HN )) (( segid " " and resid 66 and name HB )) 3.400 1.400 1.400 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 7.361 ppm2 1.671 CV 1 ASSI { 1685} (( segid " " and resid 146 and name HN )) ( segid " " and resid 108 and name HG2%) 3.400 1.400 1.400 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.15665E-02 ppm1 7.360 ppm2 0.799 CV 1 ASSI { 1690} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HN )) 3.500 1.600 1.600 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.18886E-02 ppm1 8.279 ppm2 8.716 CV 1 ASSI { 1691} (( segid " " and resid 147 and name HN )) (( segid " " and resid 67 and name HN )) 3.400 1.500 1.500 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 8.285 ppm2 7.827 CV 1 ASSI { 1698} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HA )) 3.600 1.600 1.600 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 8.286 ppm2 4.252 CV 1 ASSI { 1700} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HD1 )) 3.100 1.200 1.200 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.21521E-02 ppm1 8.283 ppm2 3.787 CV 1 ASSI { 1702} (( segid " " and resid 24 and name HN )) ( segid " " and resid 22 and name HB% ) 3.300 1.400 1.400 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.23058E-02 ppm1 8.279 ppm2 1.428 CV 1 ASSI { 1704} (( segid " " and resid 147 and name HN )) ( segid " " and resid 108 and name HG1%) 1.900 1.900 4.100 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.17056E-02 ppm1 8.281 ppm2 1.010 CV 1 ASSI { 1706} (( segid " " and resid 147 and name HN )) ( segid " " and resid 66 and name HG1%) 4.000 2.000 2.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.15738E-02 ppm1 8.282 ppm2 0.732 CV 1 ASSI { 1707} (( segid " " and resid 147 and name HN )) ( segid " " and resid 148 and name HG1%) 3.500 1.600 1.600 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.15006E-02 ppm1 8.283 ppm2 0.837 CV 1 ASSI { 1712} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) 3.500 1.500 1.500 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.19106E-02 ppm1 8.705 ppm2 8.501 CV 1 ASSI { 1717} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HA )) 3.300 1.400 1.400 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.21667E-02 ppm1 8.707 ppm2 4.805 CV 1 ASSI { 1720} (( segid " " and resid 148 and name HN )) (( segid " " and resid 64 and name HA )) 3.300 1.300 1.300 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 8.701 ppm2 4.468 CV 1 ASSI { 1721} (( segid " " and resid 148 and name HN )) (( segid " " and resid 65 and name HA )) 3.100 3.100 2.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.21888E-02 ppm1 8.708 ppm2 4.269 CV 1 ASSI { 1722} (( segid " " and resid 148 and name HN )) (( segid " " and resid 64 and name HB1 )) 2.900 1.100 1.100 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.704 ppm2 2.190 CV 1 ASSI { 1725} (( segid " " and resid 148 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.000 1.100 1.100 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.17422E-02 ppm1 8.703 ppm2 1.615 CV 1 ASSI { 1728} (( segid " " and resid 148 and name HN )) ( segid " " and resid 148 and name HG1%) 3.900 1.900 1.900 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.14347E-02 ppm1 8.704 ppm2 0.839 CV 1 ASSI { 1730} (( segid " " and resid 148 and name HN )) ( segid " " and resid 65 and name HG2%) 3.200 1.300 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 8.707 ppm2 0.471 CV 1 ASSI { 1731} (( segid " " and resid 148 and name HN )) ( segid " " and resid 66 and name HG2%) 1.800 1.800 4.200 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.22546E-02 ppm1 8.706 ppm2 0.008 CV 1 ASSI { 1737} (( segid " " and resid 149 and name HN )) (( segid " " and resid 64 and name HE21)) 3.900 1.900 1.900 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.20276E-02 ppm1 8.505 ppm2 6.335 CV 1 ASSI { 1745} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HB1 )) 3.500 1.500 1.500 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 8.496 ppm2 1.611 CV 1 ASSI { 1746} (( segid " " and resid 149 and name HN )) ( segid " " and resid 150 and name HD1%) 3.600 1.700 1.700 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 8.506 ppm2 0.864 CV 1 ASSI { 1748} (( segid " " and resid 150 and name HN )) (( segid " " and resid 65 and name HN )) 3.300 1.300 1.300 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.19398E-02 ppm1 8.676 ppm2 8.828 CV 1 ASSI { 1750} (( segid " " and resid 150 and name HN )) (( segid " " and resid 64 and name HN )) 3.700 1.700 1.700 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 8.700 ppm2 8.039 CV 1 ASSI { 1754} (( segid " " and resid 150 and name HN )) (( segid " " and resid 64 and name HA )) 2.800 1.000 1.000 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.18080E-02 ppm1 8.702 ppm2 4.464 CV 1 ASSI { 1755} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HA )) 3.800 1.800 1.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.20862E-02 ppm1 8.710 ppm2 4.279 CV 1 ASSI { 1759} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HB )) 3.100 3.100 2.900 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.696 ppm2 2.122 CV 1 ASSI { 1760} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HG1 )) 3.900 1.900 1.900 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 8.700 ppm2 2.238 CV 1 ASSI { 1761} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HB1 )) 3.000 1.100 1.100 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.18960E-02 ppm1 8.703 ppm2 1.575 CV 1 ASSI { 1762} (( segid " " and resid 150 and name HN )) ( segid " " and resid 150 and name HD1%) 3.700 1.700 1.700 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.15226E-02 ppm1 8.702 ppm2 0.852 CV 1 ASSI { 1767} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HN )) 3.800 1.800 1.800 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.17715E-02 ppm1 8.507 ppm2 8.339 CV 1 ASSI { 1768} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HA )) 4.100 2.100 1.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.13103E-02 ppm1 8.513 ppm2 4.805 CV 1 ASSI { 1769} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA )) 3.600 1.600 1.600 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 8.516 ppm2 4.547 CV 1 ASSI { 1770} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) 3.100 1.200 1.200 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.16324E-02 ppm1 8.510 ppm2 4.272 CV 1 ASSI { 1773} (( segid " " and resid 151 and name HN )) (( segid " " and resid 63 and name HA2 )) 3.700 1.700 1.700 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.20789E-02 ppm1 8.512 ppm2 3.552 CV 1 ASSI { 1775} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HB1 )) 3.900 1.900 1.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 8.520 ppm2 2.697 CV 1 ASSI { 1776} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.800 1.800 1.800 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.15592E-02 ppm1 8.512 ppm2 2.308 CV 1 ASSI { 1777} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG2 )) 3.200 1.300 1.300 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.19252E-02 ppm1 8.513 ppm2 2.067 CV 1 ASSI { 1778} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.500 1.500 1.500 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.13250E-02 ppm1 8.512 ppm2 1.950 CV 1 ASSI { 1779} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HB2 )) 3.800 1.800 1.800 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 8.515 ppm2 1.574 CV 1 ASSI { 1780} (( segid " " and resid 151 and name HN )) ( segid " " and resid 150 and name HD1%) 1.900 1.900 4.100 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.16764E-02 ppm1 8.519 ppm2 0.859 CV 1 ASSI { 29} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB1 )) 3.500 1.500 1.500 peak 29 spectrum 1 weight 0.11000E+01 volume 0.76023E-03 ppm1 4.365 ppm2 1.962 CV 1 OR { 29} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB1 )) ASSI { 81} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HG )) 1.600 1.600 4.400 peak 81 spectrum 1 weight 0.11000E+01 volume 0.62951E-01 ppm1 1.305 ppm2 1.307 CV 1 OR { 81} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 103 and name HG1%) ASSI { 86} (( segid " " and resid 99 and name HG )) ( segid " " and resid 99 and name HD2%) 2.600 0.800 0.800 peak 86 spectrum 1 weight 0.11000E+01 volume 0.41771E-02 ppm1 1.375 ppm2 0.783 CV 1 OR { 86} (( segid " " and resid 40 and name HG )) ( segid " " and resid 40 and name HD1%) ASSI { 265} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 45 and name HD1%) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.11000E+01 volume 0.68806E-02 ppm1 0.525 ppm2 0.801 CV 1 OR { 265} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 39 and name HG2%) ASSI { 301} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HG )) 2.500 0.800 0.800 peak 301 spectrum 1 weight 0.11000E+01 volume 0.43102E-02 ppm1 0.958 ppm2 1.610 CV 1 OR { 301} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HG )) ASSI { 302} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HG )) 2.500 0.800 0.800 peak 302 spectrum 1 weight 0.11000E+01 volume 0.53195E-02 ppm1 0.952 ppm2 1.689 CV 1 OR { 302} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HB2 )) ASSI { 303} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 140 and name HB1 )) 2.600 0.800 0.800 peak 303 spectrum 1 weight 0.11000E+01 volume 0.64174E-02 ppm1 0.968 ppm2 1.922 CV 1 OR { 303} ( segid " " and resid 44 and name HD1%) (( segid " " and resid 44 and name HB1 )) ASSI { 329} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HA )) 3.800 1.800 1.800 peak 329 spectrum 1 weight 0.11000E+01 volume 0.77693E-03 ppm1 0.986 ppm2 4.586 CV 1 OR { 329} ( segid " " and resid 37 and name HD2%) (( segid " " and resid 37 and name HA )) ASSI { 393} (( segid " " and resid 90 and name HB2 )) ( segid " " and resid 90 and name HD2%) 3.100 1.200 1.200 peak 393 spectrum 1 weight 0.11000E+01 volume 0.23136E-02 ppm1 1.471 ppm2 0.753 CV 1 OR { 393} (( segid " " and resid 50 and name HB2 )) ( segid " " and resid 50 and name HD2%) ASSI { 477} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 142 and name HB )) 2.300 0.700 0.700 peak 477 spectrum 1 weight 0.11000E+01 volume 0.89649E-02 ppm1 0.935 ppm2 1.993 CV 1 OR { 477} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 61 and name HB )) ASSI { 516} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 147 and name HA )) 2.600 0.800 0.800 peak 516 spectrum 1 weight 0.11000E+01 volume 0.30809E-02 ppm1 0.681 ppm2 5.057 CV 1 OR { 516} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 66 and name HA )) ASSI { 522} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 522 spectrum 1 weight 0.11000E+01 volume 0.27718E-02 ppm1 1.085 ppm2 5.607 CV 1 OR { 522} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 143 and name HA )) ASSI { 563} (( segid " " and resid 87 and name HA )) ( segid " " and resid 87 and name HG2%) 3.100 1.200 1.200 peak 563 spectrum 1 weight 0.11000E+01 volume 0.16885E-02 ppm1 5.359 ppm2 0.731 CV 1 OR { 563} (( segid " " and resid 67 and name HA )) ( segid " " and resid 87 and name HG2%) ASSI { 666} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 67 and name HA )) 3.000 1.100 1.100 peak 666 spectrum 1 weight 0.11000E+01 volume 0.32323E-02 ppm1 1.069 ppm2 5.325 CV 1 OR { 666} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 87 and name HA )) ASSI { 676} ( segid " " and resid 72 and name HG2%) (( segid " " and resid 72 and name HB )) 2.600 0.800 0.800 peak 676 spectrum 1 weight 0.11000E+01 volume 0.35469E-02 ppm1 1.179 ppm2 4.025 CV 1 OR { 676} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 78 and name HB )) ASSI { 726} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HB% ) 3.000 1.100 1.100 peak 726 spectrum 1 weight 0.11000E+01 volume 0.32718E-02 ppm1 4.281 ppm2 1.411 CV 1 OR { 726} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HB% ) OR { 726} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HB% ) OR { 726} (( segid " " and resid 16 and name HA )) ( segid " " and resid 16 and name HB% ) ASSI { 733} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HA )) 3.000 1.100 1.100 peak 733 spectrum 1 weight 0.11000E+01 volume 0.33590E-02 ppm1 1.406 ppm2 4.295 CV 1 OR { 733} ( segid " " and resid 22 and name HB% ) (( segid " " and resid 22 and name HA )) OR { 733} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 21 and name HA )) OR { 733} ( segid " " and resid 16 and name HB% ) (( segid " " and resid 16 and name HA )) ASSI { 737} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 737 spectrum 1 weight 0.11000E+01 volume 0.27415E-02 ppm1 1.360 ppm2 4.589 CV 1 OR { 737} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 28 and name HA )) ASSI { 985} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 2.900 1.100 1.100 peak 985 spectrum 1 weight 0.11000E+01 volume 0.36448E-02 ppm1 1.975 ppm2 4.290 CV 1 OR { 985} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) OR { 985} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HA )) ASSI { 986} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HA )) 3.000 1.100 1.100 peak 986 spectrum 1 weight 0.11000E+01 volume 0.31581E-02 ppm1 2.051 ppm2 4.287 CV 1 OR { 986} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) OR { 986} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) ASSI { 991} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 991 spectrum 1 weight 0.11000E+01 volume 0.21097E-02 ppm1 4.273 ppm2 1.950 CV 1 OR { 991} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) ASSI { 993} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HG1 )) 2.200 0.600 0.600 peak 993 spectrum 1 weight 0.11000E+01 volume 0.18210E-01 ppm1 2.067 ppm2 2.262 CV 1 OR { 993} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HG1 )) ASSI { 994} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HG1 )) 2.900 1.100 1.100 peak 994 spectrum 1 weight 0.11000E+01 volume 0.38235E-02 ppm1 1.986 ppm2 2.262 CV 1 OR { 994} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HG1 )) ASSI { 1000} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HA )) 2.200 0.600 0.600 peak 1000 spectrum 1 weight 0.11000E+01 volume 0.10139E-01 ppm1 2.302 ppm2 4.424 CV 1 OR { 1000} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) ASSI { 1001} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) 2.900 1.000 1.000 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.38751E-02 ppm1 1.911 ppm2 4.423 CV 1 OR { 1001} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) ASSI { 1002} (( segid " " and resid 106 and name HG1 )) (( segid " " and resid 106 and name HG2 )) 1.700 0.300 0.500 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.22602E-01 ppm1 2.282 ppm2 1.914 CV 1 OR { 1002} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HB2 )) OR { 1002} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HB2 )) ASSI { 1009} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB1 )) 4.300 2.300 1.700 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.27154E-03 ppm1 4.463 ppm2 3.255 CV 1 OR { 1009} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HD1 )) OR { 1009} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HD2 )) ASSI { 1052} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB1 )) 4.300 2.400 1.700 peak 1052 spectrum 1 weight 0.11000E+01 volume 0.16980E-03 ppm1 4.767 ppm2 2.576 CV 1 OR { 1052} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) ASSI { 1093} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB2 )) 4.200 2.200 1.800 peak 1093 spectrum 1 weight 0.11000E+01 volume 0.30192E-03 ppm1 4.836 ppm2 2.507 CV 1 OR { 1093} (( segid " " and resid 149 and name HA )) (( segid " " and resid 64 and name HG1 )) ASSI { 1107} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB2 )) 4.400 2.400 1.600 peak 1107 spectrum 1 weight 0.11000E+01 volume 0.41941E-03 ppm1 4.449 ppm2 1.630 CV 1 OR { 1107} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG2 )) ASSI { 1110} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG1 )) 5.800 4.200 0.200 peak 1110 spectrum 1 weight 0.11000E+01 volume 0.20455E-03 ppm1 4.482 ppm2 2.479 CV 1 OR { 1110} (( segid " " and resid 64 and name HA )) (( segid " " and resid 149 and name HB2 )) ASSI { 1169} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HA )) 3.400 1.400 1.400 peak 1169 spectrum 1 weight 0.11000E+01 volume 0.21714E-02 ppm1 2.255 ppm2 4.289 CV 1 OR { 1169} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HA )) ASSI { 1171} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HG2 )) 1.900 0.400 0.400 peak 1171 spectrum 1 weight 0.11000E+01 volume 0.25078E-01 ppm1 2.253 ppm2 2.064 CV 1 OR { 1171} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB1 )) OR { 1171} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HB1 )) ASSI { 1176} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.28789E-02 ppm1 2.254 ppm2 1.944 CV 1 OR { 1176} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 10 and name HB2 )) OR { 1176} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1178} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 1178 spectrum 1 weight 0.11000E+01 volume 0.17819E-02 ppm1 1.884 ppm2 4.509 CV 1 OR { 1178} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HA )) OR { 1178} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) ASSI { 1188} (( segid " " and resid 123 and name HA2 )) (( segid " " and resid 123 and name HA1 )) 2.500 2.500 3.500 peak 1188 spectrum 1 weight 0.11000E+01 volume 0.16607E-02 ppm1 3.598 ppm2 4.139 CV 1 OR { 1188} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 41 and name HA1 )) ASSI { 1198} (( segid " " and resid 109 and name HA2 )) (( segid " " and resid 109 and name HA1 )) 2.900 2.900 3.100 peak 1198 spectrum 1 weight 0.11000E+01 volume 0.13379E-02 ppm1 3.752 ppm2 4.409 CV 1 OR { 1198} (( segid " " and resid 77 and name HA2 )) (( segid " " and resid 77 and name HA1 )) ASSI { 1207} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HG1 )) 2.200 0.600 0.600 peak 1207 spectrum 1 weight 0.11000E+01 volume 0.59733E-02 ppm1 2.062 ppm2 2.218 CV 1 OR { 1207} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 151 and name HG1 )) ASSI { 1208} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HA )) 2.800 1.000 1.000 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.25163E-02 ppm1 2.113 ppm2 5.045 CV 1 OR { 1208} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HA )) ASSI { 1210} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 1.800 1.800 4.200 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.14211E-01 ppm1 2.039 ppm2 2.089 CV 1 OR { 1210} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HB1 )) ASSI { 1213} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG1 )) 3.400 1.500 1.500 peak 1213 spectrum 1 weight 0.11000E+01 volume 0.17228E-02 ppm1 5.055 ppm2 2.198 CV 1 OR { 1213} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) OR { 1213} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) ASSI { 1214} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 3.300 1.400 1.400 peak 1214 spectrum 1 weight 0.11000E+01 volume 0.13763E-02 ppm1 5.063 ppm2 2.050 CV 1 OR { 1214} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG2 )) OR { 1214} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) ASSI { 1215} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 1215 spectrum 1 weight 0.11000E+01 volume 0.23445E-02 ppm1 2.069 ppm2 5.062 CV 1 OR { 1215} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) OR { 1215} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 83 and name HA )) ASSI { 1216} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 83 and name HG1 )) 2.400 0.700 0.700 peak 1216 spectrum 1 weight 0.11000E+01 volume 0.70660E-02 ppm1 2.062 ppm2 2.186 CV 1 OR { 1216} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG1 )) OR { 1216} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 83 and name HG2 )) ASSI { 1217} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 1.700 0.400 0.500 peak 1217 spectrum 1 weight 0.11000E+01 volume 0.20056E-01 ppm1 2.094 ppm2 2.038 CV 1 OR { 1217} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HB2 )) OR { 1217} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HG2 )) ASSI { 1218} (( segid " " and resid 151 and name HB1 )) (( segid " " and resid 151 and name HB2 )) 2.000 0.500 0.500 peak 1218 spectrum 1 weight 0.11000E+01 volume 0.11366E-01 ppm1 2.052 ppm2 1.944 CV 1 OR { 1218} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HB2 )) OR { 1218} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HB2 )) ASSI { 1227} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB1 )) 3.200 1.300 1.300 peak 1227 spectrum 1 weight 0.11000E+01 volume 0.23774E-02 ppm1 4.282 ppm2 2.069 CV 1 OR { 1227} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB1 )) OR { 1227} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG2 )) ASSI { 1232} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HB1 )) 1.100 1.100 4.900 peak 1232 spectrum 1 weight 0.11000E+01 volume 0.26725E+00 ppm1 1.912 ppm2 1.920 CV 1 OR { 1232} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HB2 )) OR { 1232} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HB1 )) OR { 1232} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HB2 )) ASSI { 1289} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HD1 )) 1.600 1.600 4.400 peak 1289 spectrum 1 weight 0.11000E+01 volume 0.23421E-01 ppm1 3.655 ppm2 3.818 CV 1 OR { 1289} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 130 and name HD1 )) ASSI { 1481} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 46 and name HA )) 4.000 2.000 2.000 peak 1481 spectrum 1 weight 0.11000E+01 volume 0.21313E-03 ppm1 1.805 ppm2 5.936 CV 1 OR { 1481} (( segid " " and resid 47 and name HD1 )) (( segid " " and resid 47 and name HA )) ASSI { 1719} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG2 )) 4.100 2.100 1.900 peak 1719 spectrum 1 weight 0.11000E+01 volume 0.20268E-03 ppm1 4.467 ppm2 1.691 CV 1 OR { 1719} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG1 )) OR { 1719} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HG1 )) ASSI { 1770} (( segid " " and resid 65 and name HA )) ( segid " " and resid 89 and name HG2%) 5.400 3.600 0.600 peak 1770 spectrum 1 weight 0.11000E+01 volume 0.30610E-03 ppm1 4.266 ppm2 0.991 CV 1 OR { 1770} (( segid " " and resid 65 and name HA )) ( segid " " and resid 87 and name HG1%) ASSI { 1778} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 147 and name HB% ) 3.200 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 0.848 ppm2 1.139 CV 1 OR { 1778} ( segid " " and resid 44 and name HD2%) ( segid " " and resid 116 and name HB% ) ASSI { 1780} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 43 and name HA1 )) 4.600 2.600 1.400 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.10036E-02 ppm1 0.868 ppm2 4.059 CV 1 OR { 1780} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 57 and name HB1 )) ASSI { 1783} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 59 and name HA )) 4.300 2.400 1.700 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.10297E-02 ppm1 0.846 ppm2 5.232 CV 1 OR { 1783} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 45 and name HA )) ASSI { 1785} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 58 and name HN )) 5.500 3.800 0.500 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.13293E-03 ppm1 0.831 ppm2 8.163 CV 1 OR { 1785} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 117 and name HN )) ASSI { 1786} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 147 and name HN )) 5.000 3.100 1.000 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.20369E-03 ppm1 0.833 ppm2 8.291 CV 1 OR { 1786} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 39 and name HN )) OR { 1786} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 39 and name HN )) ASSI { 1792} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 150 and name HB1 )) 5.500 3.800 0.500 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.18312E-03 ppm1 0.470 ppm2 1.603 CV 1 OR { 1792} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 150 and name HB2 )) OR { 1792} ( segid " " and resid 15 and name HD2%) (( segid " " and resid 17 and name HB2 )) OR { 1792} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 64 and name HB2 )) ASSI { 1801} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 88 and name HA )) 4.700 2.800 1.300 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.27340E-03 ppm1 0.467 ppm2 4.993 CV 1 OR { 1801} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 147 and name HA )) ASSI { 1802} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 87 and name HA )) 4.800 2.800 1.200 peak 1802 spectrum 1 weight 0.11000E+01 volume 0.34701E-03 ppm1 0.467 ppm2 5.360 CV 1 OR { 1802} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 67 and name HA )) ASSI { 1809} (( segid " " and resid 66 and name HA )) (( segid " " and resid 148 and name HA )) 4.500 2.500 1.500 peak 1809 spectrum 1 weight 0.11000E+01 volume 0.73189E-03 ppm1 5.076 ppm2 4.627 CV 1 OR { 1809} (( segid " " and resid 66 and name HA )) (( segid " " and resid 89 and name HA )) ASSI { 1819} (( segid " " and resid 66 and name HB )) ( segid " " and resid 68 and name HG2%) 4.500 2.600 1.500 peak 1819 spectrum 1 weight 0.11000E+01 volume 0.47234E-03 ppm1 1.687 ppm2 0.953 CV 1 OR { 1819} (( segid " " and resid 66 and name HB )) ( segid " " and resid 87 and name HG1%) ASSI { 1821} (( segid " " and resid 66 and name HB )) (( segid " " and resid 60 and name HD1 )) 5.900 4.400 0.100 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.28995E-03 ppm1 1.699 ppm2 3.606 CV 1 OR { 1821} (( segid " " and resid 66 and name HB )) (( segid " " and resid 104 and name HD1 )) ASSI { 1823} (( segid " " and resid 66 and name HB )) (( segid " " and resid 67 and name HA )) 5.600 3.900 0.400 peak 1823 spectrum 1 weight 0.11000E+01 volume 0.91076E-04 ppm1 1.689 ppm2 5.321 CV 1 OR { 1823} (( segid " " and resid 66 and name HB )) (( segid " " and resid 87 and name HA )) ASSI { 1829} ( segid " " and resid 66 and name HG1%) ( segid " " and resid 144 and name HD2%) 3.500 1.500 1.500 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.26594E-02 ppm1 0.685 ppm2 0.850 CV 1 OR { 1829} ( segid " " and resid 66 and name HG1%) ( segid " " and resid 108 and name HG2%) OR { 1829} ( segid " " and resid 66 and name HG1%) ( segid " " and resid 148 and name HG2%) ASSI { 1832} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 64 and name HG2 )) 5.200 3.400 0.800 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.31100E-03 ppm1 0.685 ppm2 2.162 CV 1 OR { 1832} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 148 and name HB )) ASSI { 1844} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 61 and name HN )) 6.000 4.600 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.15533E-03 ppm1 0.689 ppm2 7.914 CV 1 OR { 1844} ( segid " " and resid 66 and name HG1%) (( segid " " and resid 103 and name HN )) ASSI { 1854} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 88 and name HB1 )) 6.000 5.000 0.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.13693E-03 ppm1 0.029 ppm2 3.148 CV 1 OR { 1854} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 88 and name HB2 )) OR { 1854} ( segid " " and resid 66 and name HG2%) (( segid " " and resid 104 and name HD2 )) ASSI { 1896} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HA )) 4.900 3.000 1.100 peak 1896 spectrum 1 weight 0.11000E+01 volume 0.19671E-03 ppm1 2.220 ppm2 5.394 CV 1 OR { 1896} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HA )) ASSI { 1903} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 145 and name HG2 )) 4.200 2.300 1.800 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.13287E-02 ppm1 1.086 ppm2 1.419 CV 1 OR { 1903} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 144 and name HG )) OR { 1903} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 145 and name HG2 )) ASSI { 1909} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 147 and name HN )) 6.000 6.000 0.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.77760E-04 ppm1 1.093 ppm2 8.286 CV 1 OR { 1909} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 85 and name HN )) ASSI { 1913} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HB )) 3.800 1.800 1.800 peak 1913 spectrum 1 weight 0.11000E+01 volume 0.16331E-02 ppm1 0.960 ppm2 1.711 CV 1 OR { 1913} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 145 and name HD2 )) ASSI { 1914} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 61 and name HA )) 3.400 1.400 1.400 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.21665E-02 ppm1 0.960 ppm2 4.418 CV 1 OR { 1914} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 63 and name HA1 )) ASSI { 1915} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HA )) 3.600 3.600 2.400 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.24353E-02 ppm1 0.983 ppm2 5.366 CV 1 OR { 1915} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 87 and name HA )) ASSI { 1927} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 62 and name HG2 )) 5.500 3.800 0.500 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.34943E-03 ppm1 1.997 ppm2 1.368 CV 1 OR { 1927} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 62 and name HG2 )) OR { 1927} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 47 and name HG1 )) OR { 1927} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 99 and name HG )) OR { 1927} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 47 and name HG2 )) OR { 1927} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 99 and name HG )) ASSI { 1932} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 79 and name HG2 )) 5.500 3.800 0.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.45538E-03 ppm1 0.775 ppm2 1.630 CV 1 OR { 1932} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 64 and name HB2 )) ASSI { 1945} (( segid " " and resid 67 and name HA )) (( segid " " and resid 86 and name HA )) 4.300 2.300 1.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.68821E-03 ppm1 5.341 ppm2 4.636 CV 1 OR { 1945} (( segid " " and resid 87 and name HA )) (( segid " " and resid 86 and name HA )) ASSI { 1987} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 132 and name HA )) 3.400 3.400 2.600 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.28433E-02 ppm1 0.984 ppm2 4.145 CV 1 OR { 1987} ( segid " " and resid 87 and name HG1%) (( segid " " and resid 89 and name HB )) ASSI { 1998} (( segid " " and resid 95 and name HB )) ( segid " " and resid 99 and name HD2%) 3.400 1.400 1.400 peak 1998 spectrum 1 weight 0.11000E+01 volume 0.12653E-02 ppm1 1.806 ppm2 0.772 CV 1 OR { 1998} (( segid " " and resid 95 and name HB )) ( segid " " and resid 96 and name HD1%) ASSI { 2007} (( segid " " and resid 95 and name HB )) (( segid " " and resid 99 and name HN )) 4.900 3.000 1.100 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.44303E-03 ppm1 1.789 ppm2 7.228 CV 1 OR { 2007} (( segid " " and resid 95 and name HB )) (( segid " " and resid 100 and name HN )) ASSI { 2062} (( segid " " and resid 57 and name HA )) ( segid " " and resid 108 and name HG2%) 6.000 4.900 0.000 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.13595E-03 ppm1 4.320 ppm2 0.851 CV 1 OR { 2062} (( segid " " and resid 145 and name HA )) ( segid " " and resid 144 and name HD2%) OR { 2062} (( segid " " and resid 145 and name HA )) ( segid " " and resid 108 and name HG2%) ASSI { 2089} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 99 and name HG )) 2.600 0.800 0.800 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.33070E-02 ppm1 1.311 ppm2 1.407 CV 1 OR { 2089} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 99 and name HG )) ASSI { 2097} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 88 and name HZ )) 3.500 1.500 1.500 peak 2097 spectrum 1 weight 0.11000E+01 volume 0.19737E-02 ppm1 1.305 ppm2 6.852 CV 1 OR { 2097} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 88 and name HZ )) ASSI { 2100} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 106 and name HN )) 4.500 2.500 1.500 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.36240E-03 ppm1 1.305 ppm2 7.894 CV 1 OR { 2100} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 106 and name HN )) ASSI { 2107} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 144 and name HA )) 4.900 3.000 1.100 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.44213E-03 ppm1 1.017 ppm2 4.673 CV 1 OR { 2107} ( segid " " and resid 37 and name HD1%) (( segid " " and resid 36 and name HA )) ASSI { 2168} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 103 and name HG1%) 4.400 2.400 1.600 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.21340E-02 ppm1 0.851 ppm2 1.275 CV 1 OR { 2168} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 144 and name HB2 )) ASSI { 2175} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.50263E-02 ppm1 0.843 ppm2 4.269 CV 1 OR { 2175} ( segid " " and resid 15 and name HD1%) (( segid " " and resid 15 and name HA )) ASSI { 2176} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 109 and name HA1 )) 3.800 1.800 1.800 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.20485E-02 ppm1 0.837 ppm2 4.383 CV 1 OR { 2176} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 90 and name HA )) OR { 2176} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 44 and name HA )) ASSI { 2192} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name HB2 )) 6.000 4.500 0.000 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.12595E-03 ppm1 5.630 ppm2 1.886 CV 1 OR { 2192} (( segid " " and resid 114 and name HA )) (( segid " " and resid 140 and name HB1 )) ASSI { 2219} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HA )) 3.400 1.400 1.400 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.15382E-02 ppm1 0.901 ppm2 4.502 CV 1 OR { 2219} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 50 and name HA )) ASSI { 2224} ( segid " " and resid 142 and name HG2%) ( segid " " and resid 112 and name HB% ) 3.300 1.400 1.400 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.19099E-02 ppm1 0.863 ppm2 1.552 CV 1 OR { 2224} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 112 and name HB% ) ASSI { 2231} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 141 and name HA )) 4.300 2.300 1.700 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 0.857 ppm2 5.227 CV 1 OR { 2231} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 141 and name HA )) ASSI { 2260} (( segid " " and resid 142 and name HB )) (( segid " " and resid 70 and name HA )) 6.000 6.000 0.000 peak 2260 spectrum 1 weight 0.11000E+01 volume 0.81591E-04 ppm1 1.999 ppm2 5.396 CV 1 OR { 2260} (( segid " " and resid 142 and name HB )) (( segid " " and resid 69 and name HA )) ASSI { 2262} (( segid " " and resid 143 and name HA )) (( segid " " and resid 142 and name HA )) 5.800 4.200 0.200 peak 2262 spectrum 1 weight 0.11000E+01 volume 0.11542E-03 ppm1 5.614 ppm2 5.063 CV 1 OR { 2262} (( segid " " and resid 111 and name HA )) (( segid " " and resid 142 and name HA )) ASSI { 2263} (( segid " " and resid 142 and name HB )) (( segid " " and resid 143 and name HA )) 5.200 3.400 0.800 peak 2263 spectrum 1 weight 0.11000E+01 volume 0.14346E-03 ppm1 1.999 ppm2 5.632 CV 1 OR { 2263} (( segid " " and resid 142 and name HB )) (( segid " " and resid 111 and name HA )) ASSI { 2302} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 143 and name HA )) 4.000 2.000 2.000 peak 2302 spectrum 1 weight 0.11000E+01 volume 0.19648E-02 ppm1 0.922 ppm2 5.606 CV 1 OR { 2302} ( segid " " and resid 142 and name HG1%) (( segid " " and resid 111 and name HA )) ASSI { 2303} (( segid " " and resid 111 and name HA )) ( segid " " and resid 50 and name HD1%) 5.100 3.300 0.900 peak 2303 spectrum 1 weight 0.11000E+01 volume 0.27601E-03 ppm1 5.619 ppm2 0.854 CV 1 OR { 2303} (( segid " " and resid 111 and name HA )) ( segid " " and resid 142 and name HG2%) ASSI { 2312} (( segid " " and resid 148 and name HB )) (( segid " " and resid 150 and name HB1 )) 4.400 2.500 1.600 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.32104E-03 ppm1 2.119 ppm2 1.598 CV 1 OR { 2312} (( segid " " and resid 148 and name HB )) (( segid " " and resid 64 and name HB2 )) OR { 2312} (( segid " " and resid 148 and name HB )) (( segid " " and resid 150 and name HB2 )) ASSI { 2338} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 38 and name HA )) 5.400 3.600 0.600 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.23409E-03 ppm1 1.731 ppm2 4.797 CV 1 OR { 2338} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HA )) ASSI { 2345} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 120 and name HE% ) 4.400 2.400 1.600 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.65742E-03 ppm1 1.697 ppm2 6.703 CV 1 OR { 2345} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 120 and name HE% ) ASSI { 2346} (( segid " " and resid 44 and name HB2 )) ( segid " " and resid 120 and name HD% ) 4.900 2.900 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.23322E-03 ppm1 1.699 ppm2 6.934 CV 1 OR { 2346} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 120 and name HD% ) ASSI { 2348} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 40 and name HD2%) 4.900 3.000 1.100 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.37453E-03 ppm1 1.734 ppm2 0.602 CV 1 OR { 2348} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 119 and name HG2 )) ASSI { 2351} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 40 and name HG )) 3.700 1.700 1.700 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 1.736 ppm2 1.365 CV 1 OR { 2351} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HG2 )) OR { 2351} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 46 and name HG1 )) OR { 2351} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HG1 )) OR { 2351} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 119 and name HD2 )) OR { 2351} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 46 and name HG2 )) ASSI { 2354} (( segid " " and resid 70 and name HG )) (( segid " " and resid 81 and name HG2 )) 5.800 4.300 0.200 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.18528E-03 ppm1 1.484 ppm2 2.188 CV 1 OR { 2354} (( segid " " and resid 70 and name HG )) (( segid " " and resid 71 and name HG2 )) OR { 2354} (( segid " " and resid 70 and name HG )) (( segid " " and resid 83 and name HG2 )) ASSI { 2358} (( segid " " and resid 70 and name HG )) (( segid " " and resid 71 and name HA )) 4.400 2.500 1.600 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.30658E-03 ppm1 1.489 ppm2 5.061 CV 1 OR { 2358} (( segid " " and resid 70 and name HG )) (( segid " " and resid 142 and name HA )) ASSI { 2368} (( segid " " and resid 47 and name HE1 )) ( segid " " and resid 105 and name HD1%) 3.800 1.800 1.800 peak 2368 spectrum 1 weight 0.11000E+01 volume 0.90733E-03 ppm1 2.587 ppm2 0.975 CV 1 OR { 2368} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 37 and name HD2%) OR { 2368} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 105 and name HD1%) ASSI { 2391} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 97 and name HB1 )) 4.700 2.700 1.300 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.45303E-03 ppm1 0.829 ppm2 2.277 CV 1 OR { 2391} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 97 and name HB2 )) OR { 2391} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 106 and name HG1 )) OR { 2391} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 107 and name HB2 )) ASSI { 2404} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 119 and name HG2 )) 5.000 3.100 1.000 peak 2404 spectrum 1 weight 0.11000E+01 volume 0.55992E-03 ppm1 1.705 ppm2 0.594 CV 1 OR { 2404} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 40 and name HD2%) ASSI { 2406} (( segid " " and resid 97 and name HG2 )) ( segid " " and resid 40 and name HD1%) 5.400 3.600 0.600 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.13946E-03 ppm1 2.479 ppm2 0.830 CV 1 OR { 2406} (( segid " " and resid 97 and name HG2 )) ( segid " " and resid 44 and name HD2%) ASSI { 2412} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 47 and name HE1 )) 5.400 3.600 0.600 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.11521E-03 ppm1 1.928 ppm2 2.597 CV 1 OR { 2412} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 47 and name HE2 )) OR { 2412} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HB2 )) OR { 2412} (( segid " " and resid 44 and name HB1 )) (( segid " " and resid 120 and name HB2 )) ASSI { 2413} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 120 and name HB2 )) 6.000 5.100 0.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.75318E-04 ppm1 1.722 ppm2 2.585 CV 1 OR { 2413} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 120 and name HB2 )) OR { 2413} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 47 and name HE1 )) OR { 2413} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 47 and name HE2 )) OR { 2413} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 38 and name HB1 )) ASSI { 2430} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 72 and name HG2%) 3.500 1.500 1.500 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.33046E-02 ppm1 0.940 ppm2 1.180 CV 1 OR { 2430} ( segid " " and resid 140 and name HD1%) ( segid " " and resid 72 and name HG2%) ASSI { 2438} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 70 and name HA )) 3.800 1.800 1.800 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.28496E-02 ppm1 0.946 ppm2 5.378 CV 1 OR { 2438} ( segid " " and resid 140 and name HD1%) (( segid " " and resid 70 and name HA )) ASSI { 2448} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 120 and name HD% ) 4.000 2.000 2.000 peak 2448 spectrum 1 weight 0.11000E+01 volume 0.37238E-03 ppm1 0.835 ppm2 6.934 CV 1 OR { 2448} ( segid " " and resid 44 and name HD2%) ( segid " " and resid 120 and name HD% ) ASSI { 2492} (( segid " " and resid 45 and name HG )) (( segid " " and resid 38 and name HB1 )) 6.000 6.000 0.000 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.49434E-04 ppm1 1.264 ppm2 2.627 CV 1 OR { 2492} (( segid " " and resid 45 and name HG )) (( segid " " and resid 97 and name HG1 )) OR { 2492} (( segid " " and resid 45 and name HG )) (( segid " " and resid 47 and name HE2 )) ASSI { 2499} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HN )) 6.000 5.400 0.000 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.44896E-04 ppm1 1.270 ppm2 8.389 CV 1 OR { 2499} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HN )) ASSI { 2509} ( segid " " and resid 101 and name HD2%) ( segid " " and resid 101 and name HD1%) 3.400 1.400 1.400 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.16980E-02 ppm1 0.517 ppm2 0.691 CV 1 OR { 2509} ( segid " " and resid 20 and name HD2%) ( segid " " and resid 20 and name HD1%) ASSI { 2524} ( segid " " and resid 101 and name HD2%) (( segid " " and resid 101 and name HN )) 6.000 6.000 0.000 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.52625E-04 ppm1 0.511 ppm2 8.202 CV 1 OR { 2524} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 117 and name HN )) ASSI { 2551} (( segid " " and resid 50 and name HB1 )) ( segid " " and resid 51 and name HG1%) 6.000 5.700 0.000 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.19706E-03 ppm1 1.534 ppm2 1.069 CV 1 OR { 2551} (( segid " " and resid 50 and name HB1 )) ( segid " " and resid 49 and name HG2%) ASSI { 2562} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 58 and name HA )) 3.300 1.300 1.300 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.79929E-03 ppm1 1.590 ppm2 4.782 CV 1 OR { 2562} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 107 and name HA )) ASSI { 2565} (( segid " " and resid 50 and name HG )) (( segid " " and resid 51 and name HN )) 6.000 5.400 0.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.52988E-04 ppm1 1.614 ppm2 8.175 CV 1 OR { 2565} (( segid " " and resid 44 and name HG )) (( segid " " and resid 117 and name HN )) ASSI { 2603} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 68 and name HA )) 6.000 5.400 0.000 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.73134E-04 ppm1 1.891 ppm2 5.618 CV 1 OR { 2603} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 143 and name HA )) ASSI { 2610} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 140 and name HG )) 6.000 6.000 0.000 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.49841E-04 ppm1 1.238 ppm2 1.649 CV 1 OR { 2610} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 86 and name HG )) ASSI { 2611} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 141 and name HG1 )) 5.400 3.600 0.600 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.31832E-03 ppm1 1.239 ppm2 2.015 CV 1 OR { 2611} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 141 and name HB1 )) OR { 2611} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 86 and name HB1 )) OR { 2611} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 114 and name HB )) ASSI { 2633} ( segid " " and resid 70 and name HD1%) ( segid " " and resid 88 and name HE% ) 5.500 3.700 0.500 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.11469E-03 ppm1 0.935 ppm2 7.176 CV 1 OR { 2633} ( segid " " and resid 70 and name HD1%) (( segid " " and resid 100 and name HN )) ASSI { 2635} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 86 and name HB2 )) 3.400 1.400 1.400 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.33025E-02 ppm1 0.782 ppm2 1.300 CV 1 OR { 2635} ( segid " " and resid 70 and name HD2%) (( segid " " and resid 140 and name HB2 )) ASSI { 2658} (( segid " " and resid 72 and name HB )) ( segid " " and resid 70 and name HD1%) 3.800 3.800 2.200 peak 2658 spectrum 1 weight 0.11000E+01 volume 0.13886E-02 ppm1 4.066 ppm2 0.986 CV 1 OR { 2658} (( segid " " and resid 72 and name HB )) ( segid " " and resid 140 and name HD1%) ASSI { 2684} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 108 and name HB )) 4.600 2.600 1.400 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.14405E-02 ppm1 1.733 ppm2 2.081 CV 1 OR { 2684} (( segid " " and resid 79 and name HG1 )) (( segid " " and resid 71 and name HB2 )) OR { 2684} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HB1 )) ASSI { 2686} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HG1 )) 5.600 3.900 0.400 peak 2686 spectrum 1 weight 0.11000E+01 volume 0.25342E-03 ppm1 4.053 ppm2 1.727 CV 1 OR { 2686} (( segid " " and resid 78 and name HA )) (( segid " " and resid 74 and name HG )) ASSI { 2727} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 67 and name HA )) 6.000 4.500 0.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.91526E-04 ppm1 2.042 ppm2 5.350 CV 1 OR { 2727} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 87 and name HA )) OR { 2727} (( segid " " and resid 86 and name HB1 )) (( segid " " and resid 69 and name HA )) ASSI { 2739} (( segid " " and resid 140 and name HG )) (( segid " " and resid 138 and name HB2 )) 4.100 2.100 1.900 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.15470E-02 ppm1 1.629 ppm2 1.423 CV 1 OR { 2739} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 130 and name HG2 )) ASSI { 2747} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 83 and name HB2 )) 4.200 2.200 1.800 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.11689E-02 ppm1 0.957 ppm2 1.918 CV 1 OR { 2747} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 44 and name HB1 )) OR { 2747} ( segid " " and resid 86 and name HD1%) (( segid " " and resid 87 and name HB )) ASSI { 2754} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 107 and name HB1 )) 5.600 3.900 0.400 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.30603E-03 ppm1 0.840 ppm2 2.577 CV 1 OR { 2754} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 120 and name HB2 )) ASSI { 2755} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 97 and name HB1 )) 4.700 2.800 1.300 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.44078E-03 ppm1 0.830 ppm2 2.286 CV 1 OR { 2755} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 97 and name HB2 )) OR { 2755} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HG1 )) OR { 2755} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 107 and name HB2 )) ASSI { 2761} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 3.700 1.700 1.700 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.10153E-02 ppm1 1.303 ppm2 1.893 CV 1 OR { 2761} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 83 and name HB2 )) ASSI { 2772} (( segid " " and resid 90 and name HG )) ( segid " " and resid 89 and name HG2%) 3.800 3.800 2.200 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.22198E-02 ppm1 1.571 ppm2 0.944 CV 1 OR { 2772} (( segid " " and resid 90 and name HG )) ( segid " " and resid 68 and name HG2%) ASSI { 2785} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 39 and name HG11)) 3.500 1.500 1.500 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 0.760 ppm2 1.808 CV 1 OR { 2785} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 104 and name HG2 )) OR { 2785} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 47 and name HB2 )) OR { 2785} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HB2 )) OR { 2785} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 62 and name HB1 )) OR { 2785} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 47 and name HB1 )) ASSI { 2786} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 104 and name HD1 )) 3.000 1.100 1.100 peak 2786 spectrum 1 weight 0.11000E+01 volume 0.93581E-03 ppm1 0.748 ppm2 3.620 CV 1 OR { 2786} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 62 and name HA )) ASSI { 2789} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 61 and name HN )) 6.000 4.800 0.000 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.81741E-04 ppm1 0.762 ppm2 7.913 CV 1 OR { 2789} ( segid " " and resid 90 and name HD2%) (( segid " " and resid 103 and name HN )) ASSI { 2810} (( segid " " and resid 99 and name HA )) ( segid " " and resid 98 and name HB% ) 5.400 3.600 0.600 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.18059E-03 ppm1 4.191 ppm2 1.124 CV 1 OR { 2810} (( segid " " and resid 99 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI { 2830} ( segid " " and resid 99 and name HD2%) (( segid " " and resid 142 and name HB )) 4.200 2.200 1.800 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.83030E-03 ppm1 0.743 ppm2 1.960 CV 1 OR { 2830} ( segid " " and resid 99 and name HD2%) ( segid " " and resid 106 and name HE% ) ASSI { 2859} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 106 and name HN )) 6.000 5.400 0.000 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.94437E-04 ppm1 1.800 ppm2 7.912 CV 1 OR { 2859} (( segid " " and resid 101 and name HG )) (( segid " " and resid 103 and name HN )) ASSI { 2864} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 120 and name HB1 )) 3.100 3.100 2.900 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.98908E-04 ppm1 0.686 ppm2 3.268 CV 1 OR { 2864} ( segid " " and resid 101 and name HD1%) (( segid " " and resid 93 and name HB1 )) ASSI { 2877} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 45 and name HD2%) 3.200 1.300 1.300 peak 2877 spectrum 1 weight 0.11000E+01 volume 0.21471E-02 ppm1 0.788 ppm2 0.517 CV 1 OR { 2877} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 101 and name HD2%) ASSI { 2908} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 37 and name HG )) 1.700 1.700 4.300 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.39270E-02 ppm1 0.964 ppm2 1.494 CV 1 OR { 2908} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 47 and name HD2 )) ASSI { 2912} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 104 and name HB1 )) 2.900 2.900 3.100 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.14152E-03 ppm1 0.968 ppm2 2.452 CV 1 OR { 2912} ( segid " " and resid 105 and name HD1%) (( segid " " and resid 100 and name HB2 )) ASSI { 2915} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 37 and name HB1 )) 1.700 1.700 4.300 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.41133E-02 ppm1 0.864 ppm2 1.912 CV 1 OR { 2915} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 59 and name HB1 )) OR { 2915} ( segid " " and resid 105 and name HD2%) (( segid " " and resid 106 and name HB2 )) ASSI { 2924} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 106 and name HA )) 4.300 2.400 1.700 peak 2924 spectrum 1 weight 0.11000E+01 volume 0.64914E-03 ppm1 2.577 ppm2 4.385 CV 1 OR { 2924} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 106 and name HA )) OR { 2924} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 105 and name HA )) ASSI { 2959} ( segid " " and resid 138 and name HD1%) (( segid " " and resid 81 and name HE22)) 5.600 4.000 0.400 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.19292E-03 ppm1 1.106 ppm2 6.699 CV 1 OR { 2959} ( segid " " and resid 116 and name HB% ) ( segid " " and resid 120 and name HE% ) ASSI { 2962} ( segid " " and resid 138 and name HD2%) ( segid " " and resid 140 and name HD2%) 2.500 2.500 3.500 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.87393E-02 ppm1 0.835 ppm2 0.738 CV 1 OR { 2962} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 132 and name HG12)) OR { 2962} ( segid " " and resid 138 and name HD2%) ( segid " " and resid 96 and name HD1%) ASSI { 2963} ( segid " " and resid 142 and name HG2%) ( segid " " and resid 99 and name HD1%) 2.700 0.900 0.900 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.40340E-02 ppm1 0.849 ppm2 1.305 CV 1 OR { 2963} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 45 and name HG )) ASSI { 2964} ( segid " " and resid 142 and name HG2%) ( segid " " and resid 106 and name HE% ) 2.200 0.600 0.600 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.11033E-01 ppm1 0.854 ppm2 1.968 CV 1 OR { 2964} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 142 and name HB )) ASSI { 2965} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 68 and name HB )) 4.000 2.000 2.000 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.21948E-02 ppm1 0.855 ppm2 2.230 CV 1 OR { 2965} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 97 and name HB1 )) OR { 2965} ( segid " " and resid 44 and name HD2%) (( segid " " and resid 97 and name HB2 )) ASSI { 2967} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 143 and name HA )) 3.400 1.400 1.400 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.29849E-02 ppm1 0.865 ppm2 5.616 CV 1 OR { 2967} ( segid " " and resid 142 and name HG2%) (( segid " " and resid 111 and name HA )) ASSI { 2969} ( segid " " and resid 138 and name HD2%) (( segid " " and resid 138 and name HN )) 5.600 4.000 0.400 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.20198E-03 ppm1 0.843 ppm2 8.293 CV 1 OR { 2969} ( segid " " and resid 148 and name HG1%) (( segid " " and resid 147 and name HN )) ASSI { 2970} (( segid " " and resid 120 and name HB1 )) ( segid " " and resid 98 and name HB% ) 3.500 1.500 1.500 peak 2970 spectrum 1 weight 0.11000E+01 volume 0.50649E-03 ppm1 3.278 ppm2 1.124 CV 1 OR { 2970} (( segid " " and resid 120 and name HB1 )) ( segid " " and resid 116 and name HB% ) ASSI { 2971} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 116 and name HB% ) 3.500 1.600 1.600 peak 2971 spectrum 1 weight 0.11000E+01 volume 0.57951E-03 ppm1 2.565 ppm2 1.124 CV 1 OR { 2971} (( segid " " and resid 120 and name HB2 )) ( segid " " and resid 98 and name HB% ) ASSI { 2978} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 138 and name HD2%) 3.700 1.700 1.700 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.94006E-03 ppm1 1.879 ppm2 0.831 CV 1 OR { 2978} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 142 and name HG2%) ASSI { 2981} (( segid " " and resid 140 and name HG )) ( segid " " and resid 72 and name HG2%) 4.900 3.000 1.100 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.40312E-03 ppm1 1.673 ppm2 1.178 CV 1 OR { 2981} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 72 and name HG2%) OR { 2981} (( segid " " and resid 79 and name HG1 )) ( segid " " and resid 72 and name HG2%) ASSI { 2982} ( segid " " and resid 140 and name HD2%) ( segid " " and resid 116 and name HB% ) 2.800 1.000 1.000 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.45495E-02 ppm1 0.703 ppm2 1.137 CV 1 OR { 2982} ( segid " " and resid 140 and name HD2%) ( segid " " and resid 98 and name HB% ) OR { 2982} ( segid " " and resid 140 and name HD2%) (( segid " " and resid 96 and name HG12)) ASSI { 3009} (( segid " " and resid 49 and name HA )) ( segid " " and resid 112 and name HB% ) 3.400 1.500 1.500 peak 3009 spectrum 1 weight 0.11000E+01 volume 0.96030E-03 ppm1 3.977 ppm2 1.542 CV 1 OR { 3009} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HG )) ASSI { 3013} (( segid " " and resid 49 and name HA )) (( segid " " and resid 111 and name HA )) 6.000 5.600 0.000 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.96171E-04 ppm1 3.964 ppm2 5.594 CV 1 OR { 3013} (( segid " " and resid 49 and name HA )) (( segid " " and resid 114 and name HA )) ASSI { 3056} (( segid " " and resid 87 and name HA )) ( segid " " and resid 66 and name HG2%) 5.500 3.800 0.500 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.11508E-03 ppm1 5.320 ppm2 0.032 CV 1 OR { 3056} (( segid " " and resid 67 and name HA )) ( segid " " and resid 66 and name HG2%) ASSI { 3061} (( segid " " and resid 72 and name HB )) (( segid " " and resid 140 and name HB1 )) 4.700 2.700 1.300 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.39215E-03 ppm1 3.996 ppm2 1.889 CV 1 OR { 3061} (( segid " " and resid 72 and name HB )) (( segid " " and resid 138 and name HG )) OR { 3061} (( segid " " and resid 67 and name HB )) (( segid " " and resid 87 and name HB )) OR { 3061} (( segid " " and resid 67 and name HB )) (( segid " " and resid 145 and name HB1 )) OR { 3061} (( segid " " and resid 72 and name HB )) (( segid " " and resid 70 and name HB1 )) ASSI { 3064} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 145 and name HD1 )) 4.600 2.600 1.400 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.10884E-02 ppm1 1.060 ppm2 1.748 CV 1 OR { 3064} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 85 and name HB2 )) OR { 3064} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HG2 )) ASSI { 3066} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 87 and name HB )) 3.700 1.700 1.700 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 1.064 ppm2 1.902 CV 1 OR { 3066} ( segid " " and resid 143 and name HG2%) (( segid " " and resid 145 and name HB1 )) OR { 3066} ( segid " " and resid 51 and name HG1%) (( segid " " and resid 52 and name HB2 )) ASSI { 3073} (( segid " " and resid 72 and name HA )) (( segid " " and resid 140 and name HB1 )) 4.900 3.000 1.100 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.80692E-04 ppm1 4.904 ppm2 1.912 CV 1 OR { 3073} (( segid " " and resid 72 and name HA )) (( segid " " and resid 138 and name HG )) ASSI { 3076} (( segid " " and resid 60 and name HA )) (( segid " " and resid 107 and name HA )) 5.500 3.800 0.500 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.24150E-03 ppm1 4.922 ppm2 4.709 CV 1 OR { 3076} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HA )) ASSI { 3097} (( segid " " and resid 78 and name HB )) ( segid " " and resid 80 and name HG1%) 3.800 1.800 1.800 peak 3097 spectrum 1 weight 0.11000E+01 volume 0.15237E-02 ppm1 4.067 ppm2 0.985 CV 1 OR { 3097} (( segid " " and resid 72 and name HB )) ( segid " " and resid 140 and name HD1%) ASSI { 3117} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HB )) 6.000 4.900 0.000 peak 3117 spectrum 1 weight 0.11000E+01 volume 0.79151E-04 ppm1 5.528 ppm2 4.032 CV 1 OR { 3117} (( segid " " and resid 73 and name HA )) (( segid " " and resid 78 and name HB )) ASSI { 3133} (( segid " " and resid 143 and name HA )) (( segid " " and resid 144 and name HB2 )) 6.000 6.000 0.000 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.75083E-04 ppm1 5.615 ppm2 1.326 CV 1 OR { 3133} (( segid " " and resid 111 and name HA )) (( segid " " and resid 144 and name HB2 )) ASSI { 3136} (( segid " " and resid 143 and name HA )) (( segid " " and resid 144 and name HA )) 4.600 2.600 1.400 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.43442E-03 ppm1 5.616 ppm2 4.646 CV 1 OR { 3136} (( segid " " and resid 111 and name HA )) (( segid " " and resid 110 and name HA )) ASSI { 3144} (( segid " " and resid 111 and name HB )) (( segid " " and resid 110 and name HB1 )) 6.000 5.700 0.000 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.84440E-04 ppm1 3.786 ppm2 2.179 CV 1 OR { 3144} (( segid " " and resid 111 and name HB )) ( segid " " and resid 113 and name HE% ) ASSI { 3166} (( segid " " and resid 115 and name HB )) (( segid " " and resid 36 and name HE3 )) 5.800 4.200 0.200 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.10047E-03 ppm1 4.113 ppm2 7.232 CV 1 OR { 3166} (( segid " " and resid 115 and name HB )) (( segid " " and resid 46 and name HE )) ASSI { 3178} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 46 and name HA )) 3.000 3.000 3.000 peak 3178 spectrum 1 weight 0.11000E+01 volume 0.14025E-03 ppm1 1.121 ppm2 5.939 CV 1 OR { 3178} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 47 and name HA )) ASSI { 3189} (( segid " " and resid 115 and name HB )) (( segid " " and resid 47 and name HA )) 3.600 3.600 2.400 peak 3189 spectrum 1 weight 0.11000E+01 volume 0.42669E-04 ppm1 4.107 ppm2 5.925 CV 1 OR { 3189} (( segid " " and resid 115 and name HB )) (( segid " " and resid 46 and name HA )) ASSI { 3195} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HA )) 6.000 5.000 0.000 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.59583E-04 ppm1 5.624 ppm2 5.197 CV 1 OR { 3195} (( segid " " and resid 111 and name HA )) (( segid " " and resid 141 and name HA )) ASSI { 3225} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 143 and name HB )) 5.900 4.400 0.100 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.14586E-03 ppm1 1.599 ppm2 4.091 CV 1 OR { 3225} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 146 and name HB )) ASSI { 3304} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 106 and name HA )) 3.100 3.100 2.900 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.10974E-03 ppm1 1.528 ppm2 4.384 CV 1 OR { 3304} ( segid " " and resid 112 and name HB% ) (( segid " " and resid 52 and name HA )) ASSI { 3350} ( segid " " and resid 136 and name HB% ) ( segid " " and resid 74 and name HD2%) 3.000 3.000 3.000 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.58708E-02 ppm1 1.266 ppm2 0.857 CV 1 OR { 3350} ( segid " " and resid 136 and name HB% ) ( segid " " and resid 138 and name HD2%) ASSI { 3363} (( segid " " and resid 147 and name HA )) ( segid " " and resid 108 and name HG2%) 5.900 4.400 0.100 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.10537E-03 ppm1 5.004 ppm2 0.863 CV 1 OR { 3363} (( segid " " and resid 147 and name HA )) ( segid " " and resid 144 and name HD2%) OR { 3363} (( segid " " and resid 147 and name HA )) ( segid " " and resid 148 and name HG2%) ASSI { 3375} (( segid " " and resid 147 and name HA )) ( segid " " and resid 148 and name HG1%) 5.700 4.100 0.300 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.16819E-03 ppm1 5.029 ppm2 0.911 CV 1 OR { 3375} (( segid " " and resid 147 and name HA )) ( segid " " and resid 144 and name HD2%) ASSI { 3378} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HG2 )) 6.000 5.700 0.000 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.16194E-03 ppm1 4.584 ppm2 1.914 CV 1 OR { 3378} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HG1 )) OR { 3378} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HG1 )) ASSI { 3397} (( segid " " and resid 39 and name HA )) (( segid " " and resid 105 and name HB2 )) 6.000 4.700 0.000 peak 3397 spectrum 1 weight 0.10000E+01 volume 0.19185E-03 ppm1 3.479 ppm2 1.734 CV 1 OR { 3397} (( segid " " and resid 39 and name HA )) (( segid " " and resid 37 and name HB2 )) OR { 3397} (( segid " " and resid 39 and name HA )) (( segid " " and resid 45 and name HB1 )) ASSI { 3398} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HA )) 5.100 3.300 0.900 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.17504E-03 ppm1 3.473 ppm2 4.593 CV 1 OR { 3398} (( segid " " and resid 39 and name HA )) (( segid " " and resid 37 and name HA )) ASSI { 3458} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HG1 )) 6.000 5.400 0.000 peak 3458 spectrum 1 weight 0.11000E+01 volume 0.22028E-03 ppm1 4.014 ppm2 2.649 CV 1 OR { 3458} (( segid " " and resid 96 and name HA )) (( segid " " and resid 121 and name HB2 )) ASSI { 3468} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 142 and name HG1%) 2.500 2.500 3.500 peak 3468 spectrum 1 weight 0.10000E+01 volume 0.46638E-02 ppm1 1.307 ppm2 0.942 CV 1 OR { 3468} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 68 and name HG2%) OR { 3468} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 140 and name HD1%) ASSI { 3469} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 103 and name HG2%) 2.500 0.800 0.800 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.45360E-02 ppm1 1.305 ppm2 1.035 CV 1 OR { 3469} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 103 and name HG2%) OR { 3469} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 90 and name HD1%) ASSI { 3470} ( segid " " and resid 103 and name HG1%) (( segid " " and resid 144 and name HG )) 4.000 2.000 2.000 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.20549E-02 ppm1 1.285 ppm2 1.419 CV 1 OR { 3470} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 47 and name HG2 )) OR { 3470} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 47 and name HG1 )) ASSI { 3471} (( segid " " and resid 96 and name HG11)) ( segid " " and resid 95 and name HG2%) 6.000 4.700 0.000 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.15515E-03 ppm1 1.285 ppm2 0.089 CV 1 OR { 3471} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 95 and name HG2%) ASSI { 3474} ( segid " " and resid 96 and name HG2%) ( segid " " and resid 70 and name HD1%) 5.000 3.200 1.000 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.44639E-03 ppm1 0.276 ppm2 0.942 CV 1 OR { 3474} ( segid " " and resid 96 and name HG2%) ( segid " " and resid 140 and name HD1%) OR { 3474} ( segid " " and resid 96 and name HG2%) ( segid " " and resid 142 and name HG1%) OR { 3474} ( segid " " and resid 96 and name HG2%) ( segid " " and resid 114 and name HG1%) ASSI { 3515} (( segid " " and resid 132 and name HG11)) (( segid " " and resid 127 and name HB2 )) 4.500 2.500 1.500 peak 3515 spectrum 1 weight 0.11000E+01 volume 0.28475E-03 ppm1 1.014 ppm2 2.693 CV 1 OR { 3515} (( segid " " and resid 132 and name HG11)) (( segid " " and resid 122 and name HB2 )) ASSI { 3523} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 122 and name HB2 )) 4.400 2.500 1.600 peak 3523 spectrum 1 weight 0.11000E+01 volume 0.73373E-03 ppm1 0.936 ppm2 2.700 CV 1 OR { 3523} ( segid " " and resid 132 and name HG2%) (( segid " " and resid 127 and name HB2 )) ASSI { 3534} ( segid " " and resid 132 and name HD1%) ( segid " " and resid 74 and name HD2%) 2.800 1.000 1.000 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.28099E-02 ppm1 0.456 ppm2 0.843 CV 1 OR { 3534} ( segid " " and resid 132 and name HD1%) ( segid " " and resid 138 and name HD2%) ASSI { 3561} (( segid " " and resid 132 and name HB )) (( segid " " and resid 126 and name HA2 )) 5.600 4.000 0.400 peak 3561 spectrum 1 weight 0.11000E+01 volume 0.82663E-04 ppm1 1.152 ppm2 3.523 CV 1 OR { 3561} (( segid " " and resid 132 and name HB )) (( segid " " and resid 130 and name HD1 )) ASSI { 3588} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 64 and name HE22)) 4.300 2.300 1.700 peak 3588 spectrum 1 weight 0.11000E+01 volume 0.49984E-03 ppm1 1.976 ppm2 7.285 CV 1 OR { 3588} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 36 and name HD1 )) ASSI { 3651} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HD1 )) 6.000 4.900 0.000 peak 3651 spectrum 1 weight 0.10000E+01 volume 0.11531E-03 ppm1 4.414 ppm2 1.789 CV 1 OR { 3651} (( segid " " and resid 131 and name HA )) (( segid " " and resid 130 and name HB2 )) OR { 3651} (( segid " " and resid 61 and name HA )) (( segid " " and resid 104 and name HG2 )) ASSI { 3677} (( segid " " and resid 69 and name HA )) ( segid " " and resid 68 and name HG1%) 6.000 5.100 0.000 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.13061E-03 ppm1 5.398 ppm2 1.085 CV 1 OR { 3677} (( segid " " and resid 69 and name HA )) ( segid " " and resid 67 and name HG2%) ASSI { 3678} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HB1 )) 4.900 3.000 1.100 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.37229E-03 ppm1 5.375 ppm2 1.899 CV 1 OR { 3678} (( segid " " and resid 69 and name HA )) (( segid " " and resid 84 and name HB2 )) OR { 3678} (( segid " " and resid 69 and name HA )) (( segid " " and resid 83 and name HB2 )) ASSI { 3703} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 144 and name HA )) 6.000 5.000 0.000 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.14676E-03 ppm1 3.075 ppm2 4.640 CV 1 OR { 3703} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 86 and name HA )) ASSI { 3725} (( segid " " and resid 121 and name HA )) ( segid " " and resid 116 and name HB% ) 5.800 4.100 0.200 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.14387E-03 ppm1 4.447 ppm2 1.142 CV 1 OR { 3725} (( segid " " and resid 121 and name HA )) (( segid " " and resid 96 and name HG12)) OR { 3725} (( segid " " and resid 121 and name HA )) ( segid " " and resid 98 and name HB% ) ASSI { 3726} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 65 and name HA )) 5.700 4.100 0.300 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.16442E-03 ppm1 2.253 ppm2 4.273 CV 1 OR { 3726} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 151 and name HA )) ASSI { 3753} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 40 and name HD1%) 5.900 4.400 0.100 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.13841E-03 ppm1 2.262 ppm2 0.823 CV 1 OR { 3753} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 45 and name HD1%) OR { 3753} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 40 and name HD1%) OR { 3753} (( segid " " and resid 97 and name HB1 )) (( segid " " and resid 45 and name HB2 )) OR { 3753} (( segid " " and resid 97 and name HB1 )) ( segid " " and resid 44 and name HD2%) OR { 3753} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 44 and name HD2%) ASSI { 3761} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 93 and name HA )) 6.000 6.000 0.000 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.66326E-04 ppm1 2.471 ppm2 4.292 CV 1 OR { 3761} (( segid " " and resid 97 and name HG2 )) (( segid " " and resid 101 and name HA )) ASSI { 3770} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 97 and name HA )) 3.100 1.200 1.200 peak 3770 spectrum 1 weight 0.11000E+01 volume 0.71345E-03 ppm1 2.577 ppm2 4.028 CV 1 OR { 3770} (( segid " " and resid 107 and name HB1 )) (( segid " " and resid 57 and name HB1 )) ASSI { 3779} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 106 and name HN )) 6.000 6.000 0.000 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.81528E-04 ppm1 2.130 ppm2 7.869 CV 1 OR { 3779} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 132 and name HN )) ASSI { 3784} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HG2 )) 4.600 2.600 1.400 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.39395E-03 ppm1 2.400 ppm2 1.892 CV 1 OR { 3784} (( segid " " and resid 81 and name HG1 )) (( segid " " and resid 140 and name HB1 )) ASSI { 3794} (( segid " " and resid 82 and name HA )) (( segid " " and resid 84 and name HA )) 5.000 3.100 1.000 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.32397E-03 ppm1 5.046 ppm2 4.397 CV 1 OR { 3794} (( segid " " and resid 71 and name HA )) (( segid " " and resid 84 and name HA )) OR { 3794} (( segid " " and resid 71 and name HA )) (( segid " " and resid 80 and name HA )) ASSI { 3795} (( segid " " and resid 82 and name HA )) (( segid " " and resid 81 and name HA )) 4.200 2.200 1.800 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.93390E-03 ppm1 5.050 ppm2 4.622 CV 1 OR { 3795} (( segid " " and resid 71 and name HA )) (( segid " " and resid 81 and name HA )) ASSI { 3805} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 84 and name HA )) 4.200 2.200 1.800 peak 3805 spectrum 1 weight 0.11000E+01 volume 0.95534E-03 ppm1 2.049 ppm2 4.395 CV 1 OR { 3805} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 85 and name HA )) ASSI { 3819} (( segid " " and resid 68 and name HB )) ( segid " " and resid 99 and name HD1%) 5.100 3.200 0.900 peak 3819 spectrum 1 weight 0.10000E+01 volume 0.31883E-03 ppm1 2.198 ppm2 1.311 CV 1 OR { 3819} (( segid " " and resid 68 and name HB )) (( segid " " and resid 86 and name HB2 )) OR { 3819} (( segid " " and resid 68 and name HB )) (( segid " " and resid 144 and name HB2 )) ASSI { 3821} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HA )) 3.600 1.600 1.600 peak 3821 spectrum 1 weight 0.10000E+01 volume 0.15391E-02 ppm1 3.985 ppm2 4.744 CV 1 OR { 3821} (( segid " " and resid 119 and name HA )) (( segid " " and resid 120 and name HA )) ASSI { 3844} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB1 )) 2.700 0.900 0.900 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.81543E-02 ppm1 2.200 ppm2 1.945 CV 1 OR { 3844} (( segid " " and resid 18 and name HG1 )) (( segid " " and resid 18 and name HB1 )) OR { 3844} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) ASSI { 3845} (( segid " " and resid 75 and name HG2 )) (( segid " " and resid 76 and name HD21)) 5.900 4.300 0.100 peak 3845 spectrum 1 weight 0.10000E+01 volume 0.62409E-04 ppm1 2.204 ppm2 6.829 CV 1 OR { 3845} (( segid " " and resid 82 and name HG1 )) (( segid " " and resid 79 and name HH11)) ASSI { 3848} (( segid " " and resid 8 and name HG2 )) ( segid " " and resid 9 and name HB% ) 4.200 2.200 1.800 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.44128E-03 ppm1 2.055 ppm2 1.381 CV 1 OR { 3848} (( segid " " and resid 7 and name HG2 )) ( segid " " and resid 9 and name HB% ) ASSI { 3850} (( segid " " and resid 151 and name HG2 )) (( segid " " and resid 62 and name HA )) 3.200 3.200 2.800 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.35379E-03 ppm1 2.059 ppm2 3.584 CV 1 OR { 3850} (( segid " " and resid 51 and name HB )) (( segid " " and resid 60 and name HD1 )) OR { 3850} (( segid " " and resid 51 and name HB )) (( segid " " and resid 102 and name HB1 )) ASSI { 3855} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 79 and name HG2 )) 5.300 3.500 0.700 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.30136E-03 ppm1 2.080 ppm2 1.649 CV 1 OR { 3855} (( segid " " and resid 83 and name HB1 )) (( segid " " and resid 86 and name HG )) ASSI { 3867} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HD2 )) 4.100 2.100 1.900 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.15089E-02 ppm1 1.924 ppm2 3.677 CV 1 OR { 3867} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HD2 )) OR { 3867} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 84 and name HD2 )) ASSI { 3868} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 107 and name HN )) 5.900 4.400 0.100 peak 3868 spectrum 1 weight 0.10000E+01 volume 0.61253E-04 ppm1 1.924 ppm2 7.670 CV 1 OR { 3868} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HE21)) ASSI { 3880} (( segid " " and resid 151 and name HB2 )) ( segid " " and resid 89 and name HG2%) 4.600 2.600 1.400 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.43971E-03 ppm1 1.960 ppm2 0.985 CV 1 OR { 3880} (( segid " " and resid 85 and name HB1 )) ( segid " " and resid 86 and name HD1%) OR { 3880} (( segid " " and resid 85 and name HB1 )) ( segid " " and resid 68 and name HG2%) ASSI { 3882} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HA )) 2.900 1.100 1.100 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.35779E-02 ppm1 1.974 ppm2 4.291 CV 1 OR { 3882} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HA )) OR { 3882} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) OR { 3882} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) ASSI { 3885} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 67 and name HA )) 5.700 4.000 0.300 peak 3885 spectrum 1 weight 0.10000E+01 volume 0.18139E-03 ppm1 1.966 ppm2 5.350 CV 1 OR { 3885} (( segid " " and resid 85 and name HB1 )) (( segid " " and resid 69 and name HA )) ASSI { 3892} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 69 and name HA )) 5.800 4.200 0.200 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.17592E-03 ppm1 2.038 ppm2 5.353 CV 1 OR { 3892} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 67 and name HA )) OR { 3892} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 69 and name HA )) OR { 3892} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 67 and name HA )) ASSI { 3915} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 68 and name HG2%) 4.600 2.600 1.400 peak 3915 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 2.050 ppm2 0.987 CV 1 OR { 3915} (( segid " " and resid 85 and name HG1 )) ( segid " " and resid 68 and name HG2%) OR { 3915} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 86 and name HD1%) OR { 3915} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 87 and name HG1%) ASSI { 3949} (( segid " " and resid 151 and name HG1 )) (( segid " " and resid 63 and name HA1 )) 4.000 2.000 2.000 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.76060E-03 ppm1 2.273 ppm2 4.451 CV 1 OR { 3949} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 25 and name HA )) ASSI { 3976} (( segid " " and resid 107 and name HA )) (( segid " " and resid 106 and name HA )) 4.700 2.800 1.300 peak 3976 spectrum 1 weight 0.10000E+01 volume 0.33870E-03 ppm1 4.768 ppm2 4.429 CV 1 OR { 3976} (( segid " " and resid 107 and name HA )) (( segid " " and resid 52 and name HA )) ASSI { 3977} (( segid " " and resid 38 and name HA )) (( segid " " and resid 42 and name HN )) 6.000 6.000 0.000 peak 3977 spectrum 1 weight 0.10000E+01 volume 0.54402E-04 ppm1 4.773 ppm2 7.056 CV 1 OR { 3977} (( segid " " and resid 38 and name HA )) (( segid " " and resid 46 and name HH12)) OR { 3977} (( segid " " and resid 38 and name HA )) (( segid " " and resid 46 and name HH11)) OR { 3977} (( segid " " and resid 38 and name HA )) (( segid " " and resid 46 and name HH21)) ASSI { 3984} (( segid " " and resid 92 and name HA )) (( segid " " and resid 91 and name HA1 )) 5.700 4.000 0.300 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.15228E-03 ppm1 4.879 ppm2 4.292 CV 1 OR { 3984} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HA )) OR { 3984} (( segid " " and resid 149 and name HA )) (( segid " " and resid 151 and name HA )) ASSI { 4002} (( segid " " and resid 48 and name HA )) (( segid " " and resid 113 and name HB1 )) 6.000 4.600 0.000 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.15355E-03 ppm1 4.667 ppm2 2.008 CV 1 OR { 4002} (( segid " " and resid 48 and name HA )) ( segid " " and resid 106 and name HE% ) ASSI { 4044} (( segid " " and resid 107 and name HA )) (( segid " " and resid 57 and name HB1 )) 6.000 5.800 0.000 peak 4044 spectrum 1 weight 0.11000E+01 volume 0.12103E-03 ppm1 4.746 ppm2 4.025 CV 1 OR { 4044} (( segid " " and resid 107 and name HA )) (( segid " " and resid 53 and name HA1 )) ASSI { 4052} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 53 and name HA1 )) 5.300 3.500 0.700 peak 4052 spectrum 1 weight 0.11000E+01 volume 0.13390E-03 ppm1 2.291 ppm2 3.978 CV 1 OR { 4052} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 57 and name HB2 )) ASSI { 4101} (( segid " " and resid 92 and name HA )) (( segid " " and resid 97 and name HE22)) 5.800 4.200 0.200 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.12583E-03 ppm1 4.861 ppm2 6.781 CV 1 OR { 4101} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HN )) ASSI { 4111} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HA )) 5.700 4.100 0.300 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.14216E-03 ppm1 5.945 ppm2 4.668 CV 1 OR { 4111} (( segid " " and resid 46 and name HA )) (( segid " " and resid 36 and name HA )) ASSI { 4114} (( segid " " and resid 47 and name HA )) (( segid " " and resid 36 and name HH2 )) 5.200 3.400 0.800 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.54222E-03 ppm1 5.946 ppm2 7.018 CV 1 OR { 4114} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HH12)) OR { 4114} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HH21)) OR { 4114} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HH11)) ASSI { 4115} (( segid " " and resid 47 and name HA )) (( segid " " and resid 36 and name HE3 )) 3.900 1.900 1.900 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.53000E-03 ppm1 5.942 ppm2 7.227 CV 1 OR { 4115} (( segid " " and resid 46 and name HA )) (( segid " " and resid 36 and name HE3 )) OR { 4115} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HE )) ASSI { 4117} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 39 and name HD1%) 3.200 1.300 1.300 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.10391E-02 ppm1 1.789 ppm2 0.763 CV 1 OR { 4117} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 39 and name HD1%) OR { 4117} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 45 and name HD1%) OR { 4117} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 39 and name HG2%) ASSI { 4118} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 39 and name HB )) 5.100 3.200 0.900 peak 4118 spectrum 1 weight 0.10000E+01 volume 0.52862E-03 ppm1 1.798 ppm2 1.649 CV 1 OR { 4118} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 39 and name HB )) OR { 4118} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 105 and name HG )) OR { 4118} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 105 and name HG )) ASSI { 4119} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 106 and name HE% ) 4.900 3.000 1.100 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.68907E-03 ppm1 1.786 ppm2 1.978 CV 1 OR { 4119} (( segid " " and resid 47 and name HB1 )) ( segid " " and resid 106 and name HE% ) OR { 4119} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 113 and name HB1 )) OR { 4119} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 142 and name HB )) OR { 4119} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 113 and name HB1 )) ASSI { 4121} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 114 and name HG1%) 3.400 1.500 1.500 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.40742E-02 ppm1 1.386 ppm2 0.936 CV 1 OR { 4121} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 114 and name HG1%) OR { 4121} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 105 and name HD1%) OR { 4121} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 105 and name HD1%) ASSI { 4126} (( segid " " and resid 47 and name HD2 )) ( segid " " and resid 105 and name HD1%) 4.400 2.400 1.600 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 1.469 ppm2 0.954 CV 1 OR { 4126} (( segid " " and resid 47 and name HD2 )) ( segid " " and resid 114 and name HG1%) OR { 4126} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 39 and name HG12)) ASSI { 4127} (( segid " " and resid 47 and name HD2 )) ( segid " " and resid 114 and name HG2%) 4.500 2.500 1.500 peak 4127 spectrum 1 weight 0.10000E+01 volume 0.10108E-02 ppm1 1.479 ppm2 0.855 CV 1 OR { 4127} (( segid " " and resid 47 and name HD2 )) ( segid " " and resid 142 and name HG2%) ASSI { 4129} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 114 and name HA )) 6.000 6.000 0.000 peak 4129 spectrum 1 weight 0.10000E+01 volume 0.81849E-04 ppm1 1.458 ppm2 5.620 CV 1 OR { 4129} (( segid " " and resid 47 and name HD2 )) (( segid " " and resid 111 and name HA )) ASSI { 4133} (( segid " " and resid 47 and name HE1 )) ( segid " " and resid 39 and name HD1%) 5.600 3.900 0.400 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.28038E-03 ppm1 2.578 ppm2 0.758 CV 1 OR { 4133} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 39 and name HD1%) OR { 4133} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 39 and name HG2%) OR { 4133} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 45 and name HD1%) ASSI { 4134} (( segid " " and resid 47 and name HE1 )) ( segid " " and resid 105 and name HD2%) 6.000 4.700 0.000 peak 4134 spectrum 1 weight 0.10000E+01 volume 0.21037E-03 ppm1 2.574 ppm2 0.857 CV 1 OR { 4134} (( segid " " and resid 47 and name HE1 )) ( segid " " and resid 114 and name HG2%) OR { 4134} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 114 and name HG2%) OR { 4134} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 105 and name HD2%) ASSI { 4135} (( segid " " and resid 47 and name HE1 )) (( segid " " and resid 37 and name HB1 )) 4.500 2.500 1.500 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.37863E-03 ppm1 2.593 ppm2 1.964 CV 1 OR { 4135} (( segid " " and resid 47 and name HE2 )) (( segid " " and resid 37 and name HB1 )) OR { 4135} (( segid " " and resid 47 and name HE2 )) ( segid " " and resid 106 and name HE% ) OR { 4135} (( segid " " and resid 47 and name HE1 )) ( segid " " and resid 106 and name HE% ) ASSI { 4151} (( segid " " and resid 124 and name HA )) (( segid " " and resid 134 and name HB2 )) 5.100 3.200 0.900 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.60544E-03 ppm1 3.973 ppm2 2.000 CV 1 OR { 4151} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 110 and name HB2 )) ASSI { 4169} (( segid " " and resid 43 and name HA2 )) ( segid " " and resid 44 and name HD2%) 6.000 6.000 0.000 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.12285E-03 ppm1 3.496 ppm2 0.833 CV 1 OR { 4169} (( segid " " and resid 43 and name HA2 )) (( segid " " and resid 45 and name HB2 )) ASSI { 4187} (( segid " " and resid 109 and name HA1 )) (( segid " " and resid 145 and name HA )) 5.500 3.800 0.500 peak 4187 spectrum 1 weight 0.10000E+01 volume 0.35506E-03 ppm1 4.402 ppm2 4.294 CV 1 OR { 4187} (( segid " " and resid 63 and name HA1 )) (( segid " " and resid 151 and name HA )) ASSI { 4189} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 74 and name HA )) 5.500 3.700 0.500 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.33371E-03 ppm1 4.411 ppm2 4.753 CV 1 OR { 4189} (( segid " " and resid 109 and name HA1 )) (( segid " " and resid 107 and name HA )) ASSI { 4207} (( segid " " and resid 91 and name HA2 )) (( segid " " and resid 100 and name HB2 )) 5.700 4.100 0.300 peak 4207 spectrum 1 weight 0.10000E+01 volume 0.69067E-04 ppm1 3.925 ppm2 2.411 CV 1 OR { 4207} (( segid " " and resid 91 and name HA2 )) (( segid " " and resid 104 and name HB1 )) ASSI { 4215} (( segid " " and resid 63 and name HA2 )) (( segid " " and resid 92 and name HA )) 6.000 6.000 0.000 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.59925E-04 ppm1 3.519 ppm2 4.853 CV 1 OR { 4215} (( segid " " and resid 63 and name HA2 )) (( segid " " and resid 149 and name HA )) ASSI { 4217} (( segid " " and resid 63 and name HA2 )) (( segid " " and resid 64 and name HN )) 5.900 4.400 0.100 peak 4217 spectrum 1 weight 0.10000E+01 volume 0.10002E-03 ppm1 3.524 ppm2 8.103 CV 1 OR { 4217} (( segid " " and resid 126 and name HA2 )) (( segid " " and resid 125 and name HN )) ASSI { 4254} (( segid " " and resid 75 and name HA )) (( segid " " and resid 139 and name HB1 )) 6.000 6.000 0.000 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.41706E-04 ppm1 3.992 ppm2 2.879 CV 1 OR { 4254} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HB2 )) ASSI { 4256} (( segid " " and resid 78 and name HA )) (( segid " " and resid 74 and name HB1 )) 5.400 3.700 0.600 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.48994E-03 ppm1 4.054 ppm2 1.983 CV 1 OR { 4256} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 110 and name HB2 )) OR { 4256} (( segid " " and resid 78 and name HA )) (( segid " " and resid 80 and name HB )) ASSI { 4304} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 47 and name HD2 )) 6.000 4.500 0.000 peak 4304 spectrum 1 weight 0.10000E+01 volume 0.10711E-03 ppm1 3.548 ppm2 1.485 CV 1 OR { 4304} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 99 and name HB1 )) ASSI { 4307} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 45 and name HD2%) 6.000 6.000 0.000 peak 4307 spectrum 1 weight 0.11000E+01 volume 0.14528E-03 ppm1 3.534 ppm2 0.514 CV 1 OR { 4307} (( segid " " and resid 102 and name HB2 )) ( segid " " and resid 101 and name HD2%) ASSI { 4339} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 3.100 1.200 1.200 peak 4339 spectrum 1 weight 0.11000E+01 volume 0.99526E-03 ppm1 5.523 ppm2 1.924 CV 1 OR { 4339} (( segid " " and resid 113 and name HA )) (( segid " " and resid 141 and name HB2 )) ASSI { 4340} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB1 )) 3.800 1.800 1.800 peak 4340 spectrum 1 weight 0.11000E+01 volume 0.93177E-03 ppm1 5.523 ppm2 2.018 CV 1 OR { 4340} (( segid " " and resid 113 and name HA )) (( segid " " and resid 141 and name HB1 )) ASSI { 4429} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HA )) 5.200 3.400 0.800 peak 4429 spectrum 1 weight 0.10000E+01 volume 0.26636E-03 ppm1 3.616 ppm2 4.426 CV 1 OR { 4429} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HA1 )) ASSI { 4438} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 145 and name HA )) 5.100 3.200 0.900 peak 4438 spectrum 1 weight 0.10000E+01 volume 0.58878E-03 ppm1 1.689 ppm2 4.326 CV 1 OR { 4438} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 104 and name HA )) ASSI { 4439} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HA )) 4.800 2.900 1.200 peak 4439 spectrum 1 weight 0.10000E+01 volume 0.63060E-03 ppm1 1.755 ppm2 4.324 CV 1 OR { 4439} (( segid " " and resid 145 and name HD1 )) (( segid " " and resid 145 and name HA )) ASSI { 4478} (( segid " " and resid 145 and name HB2 )) ( segid " " and resid 143 and name HG2%) 4.600 2.700 1.400 peak 4478 spectrum 1 weight 0.11000E+01 volume 0.93772E-03 ppm1 1.686 ppm2 1.054 CV 1 OR { 4478} (( segid " " and resid 145 and name HB2 )) ( segid " " and resid 67 and name HG2%) ASSI { 4482} (( segid " " and resid 66 and name HB )) (( segid " " and resid 68 and name HA )) 5.900 4.400 0.100 peak 4482 spectrum 1 weight 0.11000E+01 volume 0.11814E-03 ppm1 1.693 ppm2 5.599 CV 1 OR { 4482} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 68 and name HA )) ASSI { 4516} (( segid " " and resid 59 and name HA )) (( segid " " and resid 106 and name HA )) 5.800 4.200 0.200 peak 4516 spectrum 1 weight 0.10000E+01 volume 0.14556E-03 ppm1 5.206 ppm2 4.363 CV 1 OR { 4516} (( segid " " and resid 59 and name HA )) (( segid " " and resid 105 and name HA )) OR { 4516} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HA )) ASSI { 4519} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 25 and name HD2 )) 5.700 4.000 0.300 peak 4519 spectrum 1 weight 0.10000E+01 volume 0.31091E-03 ppm1 1.923 ppm2 3.733 CV 1 OR { 4519} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 73 and name HB1 )) OR { 4519} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 73 and name HB2 )) OR { 4519} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 73 and name HB2 )) ASSI { 4521} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 57 and name HB2 )) 6.000 4.500 0.000 peak 4521 spectrum 1 weight 0.10000E+01 volume 0.21260E-03 ppm1 1.528 ppm2 4.009 CV 1 OR { 4521} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 103 and name HA )) ASSI { 4541} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 103 and name HG2%) 6.000 5.500 0.000 peak 4541 spectrum 1 weight 0.10000E+01 volume 0.17344E-03 ppm1 2.112 ppm2 0.997 CV 1 OR { 4541} (( segid " " and resid 104 and name HG1 )) ( segid " " and resid 105 and name HD1%) ASSI { 4544} (( segid " " and resid 39 and name HG11)) (( segid " " and resid 39 and name HG12)) 2.300 0.700 0.700 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.22280E-02 ppm1 1.809 ppm2 0.990 CV 1 OR { 4544} (( segid " " and resid 39 and name HG11)) ( segid " " and resid 105 and name HD1%) ASSI { 4652} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 146 and name HB )) 4.500 2.500 1.500 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.59437E-03 ppm1 0.783 ppm2 4.025 CV 1 OR { 4652} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 67 and name HB )) ASSI { 4659} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 60 and name HG2 )) 6.000 5.800 0.000 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.94737E-04 ppm1 2.375 ppm2 1.862 CV 1 OR { 4659} (( segid " " and resid 144 and name HB1 )) (( segid " " and resid 145 and name HB1 )) ASSI { 4660} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 60 and name HG2 )) 6.000 4.600 0.000 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.13006E-03 ppm1 1.311 ppm2 1.867 CV 1 OR { 4660} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HB1 )) ASSI { 103} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 103 spectrum 1 weight 0.11000E+01 volume 0.22372E-02 ppm1 8.142 ppm2 4.474 CV 1 OR { 103} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 225} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 225 spectrum 1 weight 0.11000E+01 volume 0.26613E-02 ppm1 8.212 ppm2 4.270 CV 1 OR { 225} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 229} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 229 spectrum 1 weight 0.11000E+01 volume 0.20882E-02 ppm1 8.135 ppm2 4.307 CV 1 OR { 229} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 232} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 3.200 1.300 1.300 peak 232 spectrum 1 weight 0.11000E+01 volume 0.20216E-02 ppm1 8.068 ppm2 4.270 CV 1 OR { 232} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) ASSI { 235} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 3.400 3.400 2.600 peak 235 spectrum 1 weight 0.11000E+01 volume 0.15461E-02 ppm1 8.032 ppm2 4.232 CV 1 OR { 235} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 382} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.400 0.700 0.700 peak 382 spectrum 1 weight 0.11000E+01 volume 0.80936E-02 ppm1 8.661 ppm2 2.010 CV 1 OR { 382} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 409} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.11000E+01 volume 0.37724E-02 ppm1 8.510 ppm2 4.272 CV 1 OR { 409} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) ASSI { 418} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) 2.700 0.900 0.900 peak 418 spectrum 1 weight 0.11000E+01 volume 0.50664E-02 ppm1 7.864 ppm2 4.360 CV 1 OR { 418} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) ASSI { 492} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 2.500 0.800 0.800 peak 492 spectrum 1 weight 0.11000E+01 volume 0.43793E-02 ppm1 8.060 ppm2 4.445 CV 1 OR { 492} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA1 )) ASSI { 556} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 3.200 1.300 1.300 peak 556 spectrum 1 weight 0.11000E+01 volume 0.22030E-02 ppm1 8.417 ppm2 4.269 CV 1 OR { 556} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 565} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.500 0.800 0.800 peak 565 spectrum 1 weight 0.11000E+01 volume 0.10542E-01 ppm1 8.276 ppm2 4.284 CV 1 OR { 565} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) ASSI { 584} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 3.200 1.300 1.300 peak 584 spectrum 1 weight 0.11000E+01 volume 0.12349E-02 ppm1 9.381 ppm2 4.495 CV 1 OR { 584} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) ASSI { 628} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) 2.400 0.700 0.700 peak 628 spectrum 1 weight 0.11000E+01 volume 0.65036E-02 ppm1 9.139 ppm2 3.956 CV 1 OR { 628} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 685} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HA )) 5.100 3.200 0.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.33836E-03 ppm1 7.938 ppm2 3.598 CV 1 OR { 685} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HD1 )) ASSI { 716} (( segid " " and resid 68 and name HN )) (( segid " " and resid 86 and name HA )) 4.500 2.500 1.500 peak 716 spectrum 1 weight 0.11000E+01 volume 0.49820E-03 ppm1 9.569 ppm2 4.623 CV 1 OR { 716} (( segid " " and resid 68 and name HN )) (( segid " " and resid 144 and name HA )) ASSI { 743} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HN )) 4.100 2.100 1.900 peak 743 spectrum 1 weight 0.11000E+01 volume 0.75865E-03 ppm1 8.334 ppm2 8.820 CV 1 OR { 743} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HN )) ASSI { 744} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HN )) 3.300 1.300 1.300 peak 744 spectrum 1 weight 0.11000E+01 volume 0.26892E-02 ppm1 8.803 ppm2 8.321 CV 1 OR { 744} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HN )) ASSI { 795} (( segid " " and resid 142 and name HN )) (( segid " " and resid 111 and name HA )) 4.600 4.600 1.400 peak 795 spectrum 1 weight 0.11000E+01 volume 0.40234E-03 ppm1 9.358 ppm2 5.675 CV 1 OR { 795} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HA )) ASSI { 811} (( segid " " and resid 37 and name HN )) (( segid " " and resid 47 and name HN )) 3.000 1.200 1.200 peak 811 spectrum 1 weight 0.11000E+01 volume 0.33935E-02 ppm1 9.578 ppm2 9.015 CV 1 OR { 811} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 814} (( segid " " and resid 37 and name HN )) (( segid " " and resid 46 and name HA )) 4.100 2.100 1.900 peak 814 spectrum 1 weight 0.11000E+01 volume 0.96855E-03 ppm1 9.578 ppm2 5.930 CV 1 OR { 814} (( segid " " and resid 37 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 844} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HD22)) 3.500 1.500 1.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.10999E-02 ppm1 7.658 ppm2 7.874 CV 1 OR { 844} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) ASSI { 856} (( segid " " and resid 50 and name HN )) (( segid " " and resid 113 and name HB1 )) 5.400 3.700 0.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.44177E-03 ppm1 9.130 ppm2 1.985 CV 1 OR { 856} (( segid " " and resid 50 and name HN )) ( segid " " and resid 106 and name HE% ) OR { 856} (( segid " " and resid 50 and name HN )) (( segid " " and resid 141 and name HG1 )) ASSI { 880} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HN )) 3.800 1.800 1.800 peak 880 spectrum 1 weight 0.11000E+01 volume 0.11518E-02 ppm1 8.192 ppm2 8.658 CV 1 OR { 880} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 882} (( segid " " and resid 86 and name HN )) ( segid " " and resid 67 and name HG2%) 3.700 1.700 1.700 peak 882 spectrum 1 weight 0.11000E+01 volume 0.30353E-02 ppm1 8.805 ppm2 1.064 CV 1 OR { 882} (( segid " " and resid 86 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 885} (( segid " " and resid 86 and name HN )) (( segid " " and resid 67 and name HA )) 3.600 1.600 1.600 peak 885 spectrum 1 weight 0.11000E+01 volume 0.12493E-02 ppm1 8.802 ppm2 5.350 CV 1 OR { 885} (( segid " " and resid 86 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 910} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 2.300 0.700 0.700 peak 910 spectrum 1 weight 0.11000E+01 volume 0.69581E-02 ppm1 8.223 ppm2 7.186 CV 1 OR { 910} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HN )) ASSI { 932} (( segid " " and resid 105 and name HN )) ( segid " " and resid 103 and name HG1%) 4.500 2.500 1.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.40612E-03 ppm1 7.383 ppm2 1.300 CV 1 OR { 932} (( segid " " and resid 105 and name HN )) ( segid " " and resid 99 and name HD1%) ASSI { 938} (( segid " " and resid 138 and name HN )) (( segid " " and resid 118 and name HA )) 4.100 2.100 1.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.47696E-03 ppm1 8.268 ppm2 3.946 CV 1 OR { 938} (( segid " " and resid 138 and name HN )) (( segid " " and resid 75 and name HA )) ASSI { 999} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 3.000 1.200 1.200 peak 999 spectrum 1 weight 0.11000E+01 volume 0.25255E-02 ppm1 7.770 ppm2 4.717 CV 1 OR { 999} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 1003} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 2.200 0.600 0.600 peak 1003 spectrum 1 weight 0.11000E+01 volume 0.65865E-02 ppm1 8.196 ppm2 7.767 CV 1 OR { 1003} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) ASSI { 1011} (( segid " " and resid 89 and name HN )) (( segid " " and resid 94 and name HB2 )) 4.000 2.000 2.000 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.73763E-03 ppm1 9.139 ppm2 2.710 CV 1 OR { 1011} (( segid " " and resid 89 and name HN )) (( segid " " and resid 92 and name HB2 )) ASSI { 1067} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HG )) 3.800 1.800 1.800 peak 1067 spectrum 1 weight 0.11000E+01 volume 0.12822E-02 ppm1 7.362 ppm2 1.428 CV 1 OR { 1067} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG2 )) ASSI { 1073} (( segid " " and resid 116 and name HN )) ( segid " " and resid 96 and name HD1%) 4.300 2.300 1.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.69654E-03 ppm1 8.637 ppm2 0.784 CV 1 OR { 1073} (( segid " " and resid 116 and name HN )) ( segid " " and resid 45 and name HD1%) ASSI { 1074} (( segid " " and resid 116 and name HN )) ( segid " " and resid 138 and name HD2%) 4.700 2.800 1.300 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.57069E-03 ppm1 8.637 ppm2 0.874 CV 1 OR { 1074} (( segid " " and resid 116 and name HN )) (( segid " " and resid 45 and name HB2 )) OR { 1074} (( segid " " and resid 116 and name HN )) ( segid " " and resid 114 and name HG2%) ASSI { 1076} (( segid " " and resid 116 and name HN )) (( segid " " and resid 139 and name HB2 )) 5.300 3.500 0.700 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.44862E-03 ppm1 8.643 ppm2 2.688 CV 1 OR { 1076} (( segid " " and resid 116 and name HN )) (( segid " " and resid 113 and name HG1 )) ASSI { 1078} (( segid " " and resid 112 and name HN )) ( segid " " and resid 142 and name HG2%) 3.400 1.400 1.400 peak 1078 spectrum 1 weight 0.11000E+01 volume 0.12474E-02 ppm1 9.965 ppm2 0.832 CV 1 OR { 1078} (( segid " " and resid 112 and name HN )) ( segid " " and resid 50 and name HD1%) ASSI { 1081} (( segid " " and resid 112 and name HN )) (( segid " " and resid 144 and name HB2 )) 5.000 3.100 1.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.48238E-03 ppm1 9.961 ppm2 1.304 CV 1 OR { 1081} (( segid " " and resid 112 and name HN )) ( segid " " and resid 99 and name HD1%) ASSI { 1133} (( segid " " and resid 39 and name HN )) (( segid " " and resid 45 and name HG )) 3.600 1.700 1.700 peak 1133 spectrum 1 weight 0.11000E+01 volume 0.13447E-02 ppm1 8.295 ppm2 1.328 CV 1 OR { 1133} (( segid " " and resid 39 and name HN )) (( segid " " and resid 46 and name HG2 )) ASSI { 1138} (( segid " " and resid 39 and name HN )) (( segid " " and resid 47 and name HN )) 3.900 1.900 1.900 peak 1138 spectrum 1 weight 0.11000E+01 volume 0.11404E-02 ppm1 8.294 ppm2 9.006 CV 1 OR { 1138} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 1149} (( segid " " and resid 132 and name HN )) (( segid " " and resid 127 and name HB1 )) 3.100 1.200 1.200 peak 1149 spectrum 1 weight 0.11000E+01 volume 0.23435E-02 ppm1 7.857 ppm2 2.990 CV 1 OR { 1149} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB1 )) ASSI { 1159} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.100 1.200 1.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.34249E-02 ppm1 8.272 ppm2 1.968 CV 1 OR { 1159} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 1191} (( segid " " and resid 122 and name HN )) ( segid " " and resid 96 and name HD1%) 5.200 3.400 0.800 peak 1191 spectrum 1 weight 0.11000E+01 volume 0.31734E-03 ppm1 9.379 ppm2 0.718 CV 1 OR { 1191} (( segid " " and resid 122 and name HN )) (( segid " " and resid 132 and name HG12)) ASSI { 1196} (( segid " " and resid 122 and name HN )) (( segid " " and resid 118 and name HB2 )) 4.200 2.200 1.800 peak 1196 spectrum 1 weight 0.11000E+01 volume 0.66018E-03 ppm1 9.380 ppm2 3.552 CV 1 OR { 1196} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HA2 )) ASSI { 1219} (( segid " " and resid 69 and name HN )) ( segid " " and resid 143 and name HG2%) 4.000 2.000 2.000 peak 1219 spectrum 1 weight 0.11000E+01 volume 0.13832E-02 ppm1 8.726 ppm2 1.057 CV 1 OR { 1219} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 1240} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 89 and name HA )) 5.700 4.000 0.300 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.24155E-03 ppm1 6.336 ppm2 4.562 CV 1 OR { 1240} (( segid " " and resid 64 and name HE21)) (( segid " " and resid 148 and name HA )) ASSI { 1249} (( segid " " and resid 97 and name HN )) ( segid " " and resid 98 and name HB% ) 4.500 2.500 1.500 peak 1249 spectrum 1 weight 0.11000E+01 volume 0.91519E-03 ppm1 9.046 ppm2 1.130 CV 1 OR { 1249} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HG12)) ASSI { 1269} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 62 and name HG1 )) 5.000 3.200 1.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.68072E-03 ppm1 6.775 ppm2 1.512 CV 1 OR { 1269} (( segid " " and resid 97 and name HE22)) (( segid " " and resid 99 and name HB1 )) ASSI { 1271} (( segid " " and resid 97 and name HE22)) ( segid " " and resid 101 and name HD2%) 5.100 3.200 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.44012E-03 ppm1 6.777 ppm2 0.555 CV 1 OR { 1271} (( segid " " and resid 97 and name HE22)) ( segid " " and resid 45 and name HD2%) ASSI { 1279} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HD2 )) 3.000 1.200 1.200 peak 1279 spectrum 1 weight 0.11000E+01 volume 0.23409E-02 ppm1 8.076 ppm2 3.559 CV 1 OR { 1279} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HA2 )) ASSI { 1308} (( segid " " and resid 125 and name HE22)) (( segid " " and resid 126 and name HN )) 2.000 2.000 4.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.15518E-02 ppm1 6.829 ppm2 7.079 CV 1 OR { 1308} (( segid " " and resid 125 and name HE22)) ( segid " " and resid 122 and name HD% ) ASSI { 1345} (( segid " " and resid 71 and name HE22)) (( segid " " and resid 140 and name HB2 )) 5.100 3.300 0.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.42690E-03 ppm1 6.659 ppm2 1.323 CV 1 OR { 1345} (( segid " " and resid 71 and name HE22)) ( segid " " and resid 99 and name HD1%) ASSI { 1349} (( segid " " and resid 75 and name HN )) ( segid " " and resid 132 and name HG2%) 3.900 1.900 1.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.11706E-02 ppm1 8.662 ppm2 0.948 CV 1 OR { 1349} (( segid " " and resid 75 and name HN )) ( segid " " and resid 80 and name HG1%) ASSI { 1361} (( segid " " and resid 83 and name HN )) (( segid " " and resid 69 and name HE1 )) 4.900 3.100 1.100 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.41485E-03 ppm1 9.068 ppm2 7.747 CV 1 OR { 1361} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HE1 )) ASSI { 1373} (( segid " " and resid 141 and name HN )) ( segid " " and resid 140 and name HD1%) 3.300 1.300 1.300 peak 1373 spectrum 1 weight 0.11000E+01 volume 0.33772E-02 ppm1 9.190 ppm2 0.926 CV 1 OR { 1373} (( segid " " and resid 141 and name HN )) ( segid " " and resid 70 and name HD1%) ASSI { 1413} (( segid " " and resid 42 and name HD21)) (( segid " " and resid 46 and name HB2 )) 4.900 3.000 1.100 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.54024E-03 ppm1 6.488 ppm2 1.782 CV 1 OR { 1413} (( segid " " and resid 42 and name HD21)) (( segid " " and resid 39 and name HG11)) OR { 1413} (( segid " " and resid 42 and name HD21)) (( segid " " and resid 46 and name HB1 )) ASSI { 1419} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.900 1.100 1.100 peak 1419 spectrum 1 weight 0.11000E+01 volume 0.13910E-02 ppm1 7.722 ppm2 1.992 CV 1 OR { 1419} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1466} (( segid " " and resid 100 and name HN )) (( segid " " and resid 95 and name HB )) 4.400 2.400 1.600 peak 1466 spectrum 1 weight 0.11000E+01 volume 0.74401E-03 ppm1 7.201 ppm2 1.797 CV 1 OR { 1466} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HG )) ASSI { 1469} (( segid " " and resid 100 and name HN )) (( segid " " and resid 96 and name HG11)) 3.400 1.500 1.500 peak 1469 spectrum 1 weight 0.11000E+01 volume 0.23626E-02 ppm1 7.201 ppm2 1.330 CV 1 OR { 1469} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HG )) OR { 1469} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HB2 )) ASSI { 1492} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HA )) 4.900 3.000 1.100 peak 1492 spectrum 1 weight 0.11000E+01 volume 0.40801E-03 ppm1 8.166 ppm2 3.974 CV 1 OR { 1492} (( segid " " and resid 117 and name HN )) (( segid " " and resid 119 and name HA )) ASSI { 1597} (( segid " " and resid 53 and name HN )) (( segid " " and resid 107 and name HB2 )) 3.200 1.200 1.200 peak 1597 spectrum 1 weight 0.11000E+01 volume 0.31626E-02 ppm1 9.206 ppm2 2.309 CV 1 OR { 1597} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 1602} (( segid " " and resid 41 and name HN )) ( segid " " and resid 39 and name HG2%) 4.400 2.400 1.600 peak 1602 spectrum 1 weight 0.11000E+01 volume 0.81886E-03 ppm1 7.561 ppm2 0.815 CV 1 OR { 1602} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD1%) ASSI { 1605} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 4.200 2.200 1.800 peak 1605 spectrum 1 weight 0.11000E+01 volume 0.10194E-02 ppm1 7.557 ppm2 1.814 CV 1 OR { 1605} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HG11)) ASSI { 1608} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 3.800 1.800 1.800 peak 1608 spectrum 1 weight 0.11000E+01 volume 0.88898E-03 ppm1 7.558 ppm2 3.479 CV 1 OR { 1608} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HA2 )) ASSI { 1664} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HB2 )) 5.300 3.600 0.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.47578E-03 ppm1 8.827 ppm2 1.975 CV 1 OR { 1664} (( segid " " and resid 109 and name HN )) ( segid " " and resid 106 and name HE% ) OR { 1664} (( segid " " and resid 109 and name HN )) (( segid " " and resid 60 and name HG1 )) ASSI { 1700} (( segid " " and resid 121 and name HN )) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 1700 spectrum 1 weight 0.11000E+01 volume 0.31618E-02 ppm1 7.720 ppm2 3.949 CV 1 OR { 1700} (( segid " " and resid 121 and name HN )) (( segid " " and resid 119 and name HA )) ASSI { 1722} (( segid " " and resid 73 and name HN )) (( segid " " and resid 140 and name HB1 )) 4.300 2.300 1.700 peak 1722 spectrum 1 weight 0.11000E+01 volume 0.48286E-03 ppm1 9.172 ppm2 1.882 CV 1 OR { 1722} (( segid " " and resid 73 and name HN )) (( segid " " and resid 79 and name HB1 )) OR { 1722} (( segid " " and resid 73 and name HN )) (( segid " " and resid 79 and name HB2 )) ASSI { 1743} (( segid " " and resid 102 and name HN )) ( segid " " and resid 99 and name HD1%) 4.000 2.000 2.000 peak 1743 spectrum 1 weight 0.11000E+01 volume 0.10533E-02 ppm1 7.162 ppm2 1.285 CV 1 OR { 1743} (( segid " " and resid 102 and name HN )) ( segid " " and resid 103 and name HG1%) ASSI { 1783} (( segid " " and resid 106 and name HN )) ( segid " " and resid 39 and name HD1%) 4.000 2.000 2.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.89866E-03 ppm1 7.865 ppm2 0.765 CV 1 OR { 1783} (( segid " " and resid 106 and name HN )) ( segid " " and resid 144 and name HD1%) ASSI { 1801} (( segid " " and resid 113 and name HN )) ( segid " " and resid 114 and name HG1%) 5.000 3.100 1.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.43918E-03 ppm1 9.104 ppm2 0.940 CV 1 OR { 1801} (( segid " " and resid 113 and name HN )) ( segid " " and resid 140 and name HD1%) OR { 1801} (( segid " " and resid 113 and name HN )) ( segid " " and resid 142 and name HG1%) OR { 1801} (( segid " " and resid 94 and name HN )) ( segid " " and resid 68 and name HG2%) ASSI { 1812} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB2 )) 4.200 2.200 1.800 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.73527E-03 ppm1 9.140 ppm2 1.741 CV 1 OR { 1812} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HG2 )) OR { 1812} (( segid " " and resid 49 and name HN )) (( segid " " and resid 105 and name HB2 )) OR { 1812} (( segid " " and resid 119 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 1813} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HD2 )) 4.900 3.000 1.100 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.34827E-03 ppm1 9.141 ppm2 1.461 CV 1 OR { 1813} (( segid " " and resid 119 and name HN )) ( segid " " and resid 137 and name HB% ) ASSI { 21} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 117 and name HB2 )) 3.400 1.400 1.400 peak 21 spectrum 1 weight 0.11000E+01 volume 0.56409E-03 ppm1 6.694 ppm2 2.484 CV 1 OR { 21} ( segid " " and resid 120 and name HE% ) (( segid " " and resid 97 and name HG2 )) ASSI { 23} ( segid " " and resid 120 and name HD% ) (( segid " " and resid 117 and name HB2 )) 2.600 0.800 0.800 peak 23 spectrum 1 weight 0.11000E+01 volume 0.99039E-03 ppm1 6.910 ppm2 2.484 CV 1 OR { 23} ( segid " " and resid 120 and name HD% ) (( segid " " and resid 97 and name HG2 )) ASSI { 48} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 48 spectrum 1 weight 0.11000E+01 volume 0.93543E-03 ppm1 6.908 ppm2 5.386 CV 1 OR { 48} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HA )) ASSI { 95} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 86 and name HG )) 3.100 1.200 1.200 peak 95 spectrum 1 weight 0.11000E+01 volume 0.11454E-02 ppm1 6.955 ppm2 1.596 CV 1 OR { 95} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 90 and name HG )) ASSI { 96} ( segid " " and resid 88 and name HD% ) ( segid " " and resid 103 and name HG1%) 4.600 2.600 1.400 peak 96 spectrum 1 weight 0.11000E+01 volume 0.19382E-03 ppm1 6.949 ppm2 1.297 CV 1 OR { 96} ( segid " " and resid 88 and name HD% ) (( segid " " and resid 99 and name HB2 )) ASSI { 99} ( segid " " and resid 88 and name HE% ) (( segid " " and resid 90 and name HG )) 4.500 2.500 1.500 peak 99 spectrum 1 weight 0.11000E+01 volume 0.29212E-03 ppm1 7.155 ppm2 1.592 CV 1 OR { 99} ( segid " " and resid 88 and name HE% ) (( segid " " and resid 86 and name HG )) ASSI { 117} ( segid " " and resid 120 and name HD% ) ( segid " " and resid 116 and name HB% ) 4.500 2.500 1.500 peak 117 spectrum 1 weight 0.11000E+01 volume 0.29892E-03 ppm1 6.917 ppm2 1.117 CV 1 OR { 117} ( segid " " and resid 120 and name HD% ) ( segid " " and resid 98 and name HB% ) ASSI { 120} ( segid " " and resid 122 and name HE% ) ( segid " " and resid 96 and name HD1%) 3.500 1.600 1.600 peak 120 spectrum 1 weight 0.11000E+01 volume 0.61503E-03 ppm1 6.623 ppm2 0.750 CV 1 OR { 120} ( segid " " and resid 122 and name HE% ) (( segid " " and resid 132 and name HG12)) ASSI { 145} (( segid " " and resid 129 and name HN )) (( segid " " and resid 127 and name HB2 )) 4.900 3.000 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.27953E-03 ppm1 7.457 ppm2 2.660 CV 1 OR { 145} (( segid " " and resid 36 and name HZ2 )) (( segid " " and resid 113 and name HG1 )) ASSI { 157} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 157 spectrum 1 weight 0.11000E+01 volume 0.42151E-03 ppm1 7.221 ppm2 5.939 CV 1 OR { 157} (( segid " " and resid 36 and name HE3 )) (( segid " " and resid 46 and name HA )) ASSI { 166} ( segid " " and resid 88 and name HE% ) ( segid " " and resid 99 and name HD1%) 3.700 1.700 1.700 peak 166 spectrum 1 weight 0.11000E+01 volume 0.61272E-03 ppm1 7.170 ppm2 1.301 CV 1 OR { 166} ( segid " " and resid 88 and name HE% ) ( segid " " and resid 103 and name HG1%) ASSI { 268} (( segid " " and resid 96 and name HG11)) (( segid " " and resid 100 and name HN )) 3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.40690E-02 ppm1 1.304 ppm2 7.178 CV 1 OR { 268} ( segid " " and resid 99 and name HD1%) ( segid " " and resid 88 and name HE% ) OR { 268} ( segid " " and resid 99 and name HD1%) (( segid " " and resid 102 and name HN )) OR { 268} ( segid " " and resid 103 and name HG1%) ( segid " " and resid 88 and name HE% ) ASSI { 343} (( segid " " and resid 68 and name HB )) ( segid " " and resid 142 and name HG1%) 3.000 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.37825E-02 ppm1 2.225 ppm2 0.859 CV 1 OR { 343} (( segid " " and resid 83 and name HG1 )) ( segid " " and resid 70 and name HD2%) OR { 343} (( segid " " and resid 83 and name HG1 )) ( segid " " and resid 86 and name HD2%) OR { 343} (( segid " " and resid 83 and name HG2 )) ( segid " " and resid 70 and name HD2%) OR { 343} (( segid " " and resid 68 and name HB )) ( segid " " and resid 142 and name HG2%) OR { 343} (( segid " " and resid 106 and name HB1 )) ( segid " " and resid 142 and name HG2%) OR { 343} (( segid " " and resid 68 and name HB )) ( segid " " and resid 86 and name HD2%) OR { 343} (( segid " " and resid 83 and name HG2 )) ( segid " " and resid 86 and name HD2%) ASSI { 481} (( segid " " and resid 17 and name HD1 )) (( segid " " and resid 19 and name HA )) 2.900 2.900 3.100 peak 481 spectrum 1 weight 0.10000E+01 volume 0.31521E-02 ppm1 3.218 ppm2 4.630 CV 1 OR { 481} (( segid " " and resid 128 and name HD2 )) (( segid " " and resid 81 and name HA ))
Contact the webmaster for help, if required. Friday, September 20, 2024 10:21:06 PM GMT (wattos1)