NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
455595 | 2kma | 15615 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 9} (( segid " " and resid 202 and name HG3 )) (( segid " " and resid 202 and name HA )) 2.900 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.49017E-02 ppm1 2.209 ppm2 4.066 CV 1 OR { 9} (( segid " " and resid 202 and name HG2 )) (( segid " " and resid 202 and name HA )) ASSI { 11} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB2 )) 2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.89976E-02 ppm1 4.068 ppm2 2.042 CV 1 ASSI { 12} (( segid " " and resid 202 and name HA )) (( segid " " and resid 202 and name HB3 )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.66787E-02 ppm1 4.069 ppm2 1.836 CV 1 ASSI { 15} (( segid " " and resid 202 and name HB2 )) (( segid " " and resid 202 and name HB3 )) 1.600 0.300 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.30056E-01 ppm1 2.050 ppm2 1.835 CV 1 ASSI { 17} (( segid " " and resid 202 and name HG2 )) (( segid " " and resid 202 and name HB2 )) 1.900 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.43712E-01 ppm1 2.213 ppm2 2.043 CV 1 OR { 17} (( segid " " and resid 202 and name HG3 )) (( segid " " and resid 202 and name HB2 )) ASSI { 18} (( segid " " and resid 202 and name HG3 )) (( segid " " and resid 202 and name HB3 )) 2.400 0.700 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10792E-01 ppm1 2.208 ppm2 1.835 CV 1 OR { 18} (( segid " " and resid 202 and name HG2 )) (( segid " " and resid 202 and name HB3 )) ASSI { 19} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB3 )) 2.600 0.800 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.13175E-01 ppm1 4.583 ppm2 2.674 CV 1 ASSI { 20} (( segid " " and resid 201 and name HA )) (( segid " " and resid 201 and name HB2 )) 2.300 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.10558E-01 ppm1 4.583 ppm2 2.607 CV 1 ASSI { 21} (( segid " " and resid 197 and name HB3 )) (( segid " " and resid 126 and name HB3 )) 3.800 1.800 1.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.23730E-02 ppm1 2.663 ppm2 2.090 CV 1 ASSI { 22} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 85 and name HG3 )) 2.300 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25524E-02 ppm1 2.601 ppm2 2.038 CV 1 ASSI { 26} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 23 and name HG2%) 2.500 0.800 0.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 2.604 ppm2 1.358 CV 1 OR { 26} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 23 and name HG2%) ASSI { 27} (( segid " " and resid 110 and name HB2 )) ( segid " " and resid 109 and name HG2%) 4.400 2.400 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 2.665 ppm2 1.209 CV 1 ASSI { 33} (( segid " " and resid 197 and name HB3 )) (( segid " " and resid 197 and name H )) 3.600 1.600 1.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.18550E-02 ppm1 2.687 ppm2 7.544 CV 1 ASSI { 36} (( segid " " and resid 201 and name HA )) (( segid " " and resid 202 and name H )) 2.700 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.76029E-02 ppm1 4.583 ppm2 7.716 CV 1 ASSI { 37} (( segid " " and resid 197 and name HB3 )) (( segid " " and resid 198 and name H )) 2.200 0.600 0.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.75455E-02 ppm1 2.676 ppm2 8.164 CV 1 ASSI { 42} (( segid " " and resid 200 and name HA )) (( segid " " and resid 201 and name H )) 2.200 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.89842E-02 ppm1 4.347 ppm2 8.166 CV 1 ASSI { 44} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name H )) 2.200 0.600 0.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.93972E-02 ppm1 3.709 ppm2 8.143 CV 1 ASSI { 45} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 53 and name H )) 3.000 1.200 1.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.80802E-02 ppm1 3.708 ppm2 8.037 CV 1 ASSI { 49} (( segid " " and resid 182 and name HA )) (( segid " " and resid 184 and name H )) 3.100 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.19803E-02 ppm1 4.347 ppm2 7.715 CV 1 ASSI { 50} (( segid " " and resid 200 and name HB2 )) ( segid " " and resid 199 and name HD% ) 4.400 2.400 1.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.64994E-03 ppm1 3.819 ppm2 6.972 CV 1 ASSI { 51} (( segid " " and resid 200 and name HB3 )) ( segid " " and resid 199 and name HD% ) 4.300 2.300 1.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 3.713 ppm2 6.970 CV 1 ASSI { 52} (( segid " " and resid 200 and name HA )) ( segid " " and resid 199 and name HD% ) 4.100 2.100 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14184E-02 ppm1 4.348 ppm2 6.968 CV 1 ASSI { 53} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 50 and name HD% ) 3.600 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 3.708 ppm2 5.502 CV 1 ASSI { 54} (( segid " " and resid 52 and name HB3 )) ( segid " " and resid 50 and name HE% ) 3.100 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.45495E-02 ppm1 3.708 ppm2 6.501 CV 1 OR { 54} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 50 and name HE% ) ASSI { 55} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 173 and name HZ3 )) 3.400 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 3.703 ppm2 6.730 CV 1 OR { 55} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 173 and name HZ3 )) ASSI { 56} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 61 and name HD1 )) 3.900 1.900 1.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.87335E-03 ppm1 3.713 ppm2 7.324 CV 1 ASSI { 58} (( segid " " and resid 200 and name HB2 )) (( segid " " and resid 200 and name HA )) 2.300 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.11784E-01 ppm1 3.821 ppm2 4.346 CV 1 ASSI { 59} (( segid " " and resid 200 and name HB3 )) (( segid " " and resid 200 and name HA )) 2.300 0.700 0.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10958E-01 ppm1 3.710 ppm2 4.346 CV 1 ASSI { 63} (( segid " " and resid 200 and name HB3 )) (( segid " " and resid 200 and name HB2 )) 1.600 0.300 0.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.33635E-01 ppm1 3.710 ppm2 3.819 CV 1 ASSI { 65} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 52 and name HA )) 2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.87268E-02 ppm1 3.708 ppm2 3.951 CV 1 OR { 65} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) ASSI { 66} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HB3 )) 2.400 0.700 0.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.21597E-02 ppm1 3.709 ppm2 2.408 CV 1 ASSI { 67} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 61 and name HB3 )) 4.100 2.100 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 3.717 ppm2 3.137 CV 1 ASSI { 68} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HB3 )) 3.200 1.300 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.22579E-02 ppm1 4.389 ppm2 2.314 CV 1 ASSI { 70} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 194 and name HB3 )) 4.600 2.700 1.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.78874E-03 ppm1 3.695 ppm2 1.702 CV 1 ASSI { 71} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 194 and name HB2 )) 3.400 1.400 1.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 3.703 ppm2 1.501 CV 1 OR { 71} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 194 and name HB2 )) ASSI { 72} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 78 and name HG2%) 3.500 1.500 1.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 3.710 ppm2 0.997 CV 1 OR { 72} (( segid " " and resid 52 and name HB3 )) ( segid " " and resid 78 and name HG2%) ASSI { 73} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 51 and name HD2%) 3.700 1.800 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 3.703 ppm2 0.774 CV 1 OR { 73} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 51 and name HD1%) ASSI { 74} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HB2 )) 2.300 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.10802E-01 ppm1 4.474 ppm2 2.965 CV 1 ASSI { 75} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name HB3 )) 2.500 0.800 0.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.78365E-02 ppm1 4.474 ppm2 2.789 CV 1 ASSI { 77} (( segid " " and resid 199 and name HB2 )) (( segid " " and resid 199 and name HB3 )) 1.600 0.300 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.23103E-01 ppm1 2.967 ppm2 2.790 CV 1 ASSI { 81} (( segid " " and resid 199 and name HA )) ( segid " " and resid 199 and name HD% ) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.10264E-01 ppm1 4.474 ppm2 6.968 CV 1 ASSI { 82} (( segid " " and resid 199 and name HA )) ( segid " " and resid 199 and name HE% ) 5.000 3.200 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 4.475 ppm2 6.616 CV 1 ASSI { 84} (( segid " " and resid 199 and name HB2 )) ( segid " " and resid 199 and name HE% ) 4.700 2.700 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 2.967 ppm2 6.606 CV 1 ASSI { 86} (( segid " " and resid 199 and name HB3 )) ( segid " " and resid 199 and name HE% ) 4.900 3.000 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 2.786 ppm2 6.613 CV 1 ASSI { 87} (( segid " " and resid 199 and name HA )) (( segid " " and resid 199 and name H )) 2.600 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.52232E-02 ppm1 4.474 ppm2 7.829 CV 1 ASSI { 91} (( segid " " and resid 199 and name HA )) (( segid " " and resid 198 and name H )) 4.100 2.100 1.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 4.478 ppm2 8.152 CV 1 ASSI { 94} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name H )) 2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.29756E-02 ppm1 4.408 ppm2 8.154 CV 1 ASSI { 95} (( segid " " and resid 198 and name HB2 )) (( segid " " and resid 198 and name H )) 2.600 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.34460E-02 ppm1 2.682 ppm2 8.155 CV 1 ASSI { 96} (( segid " " and resid 198 and name HB3 )) (( segid " " and resid 199 and name H )) 4.000 2.000 2.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 2.954 ppm2 7.830 CV 1 ASSI { 97} (( segid " " and resid 198 and name HB2 )) (( segid " " and resid 199 and name H )) 3.900 1.900 1.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 2.669 ppm2 7.827 CV 1 ASSI { 98} (( segid " " and resid 198 and name HA )) (( segid " " and resid 199 and name H )) 2.400 0.700 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.53248E-02 ppm1 4.410 ppm2 7.829 CV 1 ASSI { 99} (( segid " " and resid 198 and name HB3 )) (( segid " " and resid 198 and name H )) 3.600 1.600 1.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.31278E-02 ppm1 2.958 ppm2 8.153 CV 1 ASSI { 100} (( segid " " and resid 198 and name HB3 )) ( segid " " and resid 198 and name HE% ) 5.000 3.100 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 2.960 ppm2 7.105 CV 1 ASSI { 101} (( segid " " and resid 198 and name HB3 )) ( segid " " and resid 198 and name HD% ) 2.700 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.54364E-02 ppm1 2.951 ppm2 6.965 CV 1 ASSI { 102} (( segid " " and resid 198 and name HB2 )) ( segid " " and resid 198 and name HE% ) 5.100 3.200 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.76166E-03 ppm1 2.678 ppm2 7.096 CV 1 ASSI { 103} (( segid " " and resid 198 and name HB2 )) ( segid " " and resid 198 and name HD% ) 2.600 0.900 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.48947E-02 ppm1 2.680 ppm2 6.965 CV 1 ASSI { 106} (( segid " " and resid 198 and name HB2 )) (( segid " " and resid 198 and name HA )) 3.000 1.200 1.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.40587E-02 ppm1 2.680 ppm2 4.410 CV 1 ASSI { 107} (( segid " " and resid 198 and name HB2 )) (( segid " " and resid 198 and name HB3 )) 1.700 0.400 0.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16570E-01 ppm1 2.680 ppm2 2.951 CV 1 ASSI { 108} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name HB3 )) 2.400 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.65399E-02 ppm1 4.408 ppm2 2.952 CV 1 ASSI { 111} (( segid " " and resid 110 and name HA )) ( segid " " and resid 109 and name HG2%) 3.300 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 4.382 ppm2 1.204 CV 1 ASSI { 112} (( segid " " and resid 110 and name HA )) (( segid " " and resid 113 and name HB3 )) 3.600 1.600 1.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 4.379 ppm2 1.750 CV 1 OR { 112} (( segid " " and resid 110 and name HA )) ( segid " " and resid 113 and name HE% ) ASSI { 114} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name H )) 3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.19498E-02 ppm1 3.774 ppm2 8.347 CV 1 ASSI { 115} (( segid " " and resid 196 and name HA )) (( segid " " and resid 197 and name H )) 3.100 1.200 1.200 peak 115 spectrum 1 weight 0.10000E+01 volume 0.35002E-02 ppm1 3.771 ppm2 7.549 CV 1 ASSI { 116} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 197 and name H )) 4.600 2.600 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 0.902 ppm2 7.546 CV 1 ASSI { 120} (( segid " " and resid 196 and name HA )) (( segid " " and resid 194 and name HE )) 2.400 2.400 3.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 3.769 ppm2 7.336 CV 1 ASSI { 121} (( segid " " and resid 196 and name HD2 )) ( segid " " and resid 197 and name HE% ) 4.300 2.300 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 0.885 ppm2 7.112 CV 1 ASSI { 122} (( segid " " and resid 196 and name HE2 )) ( segid " " and resid 197 and name HE% ) 3.700 1.700 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 1.959 ppm2 7.095 CV 1 ASSI { 123} (( segid " " and resid 196 and name HE3 )) ( segid " " and resid 197 and name HE% ) 3.300 1.400 1.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.19160E-02 ppm1 2.215 ppm2 7.103 CV 1 ASSI { 124} (( segid " " and resid 196 and name HB2 )) ( segid " " and resid 197 and name HD% ) 5.100 3.300 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 0.898 ppm2 7.008 CV 1 ASSI { 133} (( segid " " and resid 196 and name HE3 )) (( segid " " and resid 196 and name HE2 )) 1.800 0.400 0.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11035E-01 ppm1 2.215 ppm2 1.954 CV 1 ASSI { 138} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HD3 )) 4.900 3.000 1.100 peak 138 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 3.768 ppm2 0.540 CV 1 ASSI { 139} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB2 )) 2.600 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.37000E-02 ppm1 3.775 ppm2 0.892 CV 1 ASSI { 140} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HB3 )) 3.100 1.200 1.200 peak 140 spectrum 1 weight 0.10000E+01 volume 0.32090E-02 ppm1 3.773 ppm2 0.826 CV 1 ASSI { 141} (( segid " " and resid 196 and name HB3 )) (( segid " " and resid 196 and name HB2 )) 2.200 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.26471E-02 ppm1 0.821 ppm2 0.890 CV 1 OR { 141} (( segid " " and resid 196 and name HB3 )) (( segid " " and resid 196 and name HD2 )) ASSI { 142} (( segid " " and resid 196 and name HD3 )) (( segid " " and resid 196 and name HD2 )) 2.100 0.500 0.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.42145E-02 ppm1 0.545 ppm2 0.882 CV 1 OR { 142} (( segid " " and resid 196 and name HD3 )) (( segid " " and resid 196 and name HB2 )) ASSI { 143} (( segid " " and resid 196 and name HD2 )) (( segid " " and resid 196 and name HD3 )) 2.000 0.500 0.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.37982E-02 ppm1 0.884 ppm2 0.540 CV 1 ASSI { 144} (( segid " " and resid 196 and name HE2 )) (( segid " " and resid 196 and name HD3 )) 2.800 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.20040E-02 ppm1 1.951 ppm2 0.543 CV 1 ASSI { 145} (( segid " " and resid 196 and name HE2 )) (( segid " " and resid 196 and name HD2 )) 3.000 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.24474E-02 ppm1 1.957 ppm2 0.882 CV 1 ASSI { 146} (( segid " " and resid 196 and name HE3 )) (( segid " " and resid 196 and name HD3 )) 3.000 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.23357E-02 ppm1 2.215 ppm2 0.540 CV 1 ASSI { 147} (( segid " " and resid 196 and name HE3 )) (( segid " " and resid 196 and name HD2 )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.36933E-02 ppm1 2.216 ppm2 0.884 CV 1 ASSI { 150} (( segid " " and resid 196 and name HG3 )) (( segid " " and resid 196 and name HD2 )) 2.900 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 0.179 ppm2 0.882 CV 1 OR { 150} (( segid " " and resid 196 and name HG3 )) (( segid " " and resid 196 and name HB2 )) ASSI { 151} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HB2 )) 3.400 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 0.104 ppm2 0.886 CV 1 OR { 151} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HD2 )) ASSI { 152} (( segid " " and resid 196 and name HG2 )) (( segid " " and resid 196 and name HB3 )) 2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 0.112 ppm2 0.830 CV 1 ASSI { 153} (( segid " " and resid 196 and name HG3 )) (( segid " " and resid 196 and name HG2 )) 2.100 0.600 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.28198E-02 ppm1 0.178 ppm2 0.113 CV 1 ASSI { 155} (( segid " " and resid 196 and name HE3 )) (( segid " " and resid 196 and name HG3 )) 3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 2.213 ppm2 0.175 CV 1 ASSI { 156} (( segid " " and resid 196 and name HE3 )) (( segid " " and resid 196 and name HG2 )) 2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.26877E-02 ppm1 2.215 ppm2 0.106 CV 1 ASSI { 157} (( segid " " and resid 196 and name HE2 )) (( segid " " and resid 196 and name HG3 )) 3.400 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.23019E-02 ppm1 1.957 ppm2 0.176 CV 1 ASSI { 158} (( segid " " and resid 196 and name HE2 )) (( segid " " and resid 196 and name HG2 )) 3.200 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 1.953 ppm2 0.106 CV 1 ASSI { 159} (( segid " " and resid 196 and name HD2 )) (( segid " " and resid 196 and name HG2 )) 3.300 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 0.881 ppm2 0.116 CV 1 ASSI { 160} (( segid " " and resid 196 and name HD3 )) (( segid " " and resid 196 and name HG3 )) 3.500 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 0.547 ppm2 0.180 CV 1 ASSI { 161} (( segid " " and resid 196 and name HD3 )) (( segid " " and resid 196 and name HG2 )) 3.100 1.200 1.200 peak 161 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 0.545 ppm2 0.102 CV 1 ASSI { 162} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HG3 )) 2.800 1.000 1.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.23967E-02 ppm1 3.773 ppm2 0.179 CV 1 ASSI { 163} (( segid " " and resid 196 and name HA )) (( segid " " and resid 196 and name HG2 )) 3.400 1.400 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.22240E-02 ppm1 3.773 ppm2 0.102 CV 1 ASSI { 164} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 196 and name HG3 )) 3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 0.884 ppm2 0.178 CV 1 ASSI { 165} (( segid " " and resid 196 and name HB2 )) (( segid " " and resid 196 and name HG2 )) 3.800 1.800 1.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 0.903 ppm2 0.106 CV 1 ASSI { 166} (( segid " " and resid 196 and name HB3 )) (( segid " " and resid 196 and name HG3 )) 3.700 1.700 1.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 0.816 ppm2 0.181 CV 1 ASSI { 169} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 195 and name H )) 3.300 1.300 1.300 peak 169 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 1.189 ppm2 8.792 CV 1 ASSI { 170} (( segid " " and resid 195 and name HD3 )) (( segid " " and resid 195 and name H )) 4.500 2.500 1.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.93090E-03 ppm1 2.705 ppm2 8.792 CV 1 OR { 170} (( segid " " and resid 195 and name HD2 )) (( segid " " and resid 195 and name H )) ASSI { 171} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name H )) 3.800 1.800 1.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 0.784 ppm2 8.791 CV 1 OR { 171} (( segid " " and resid 195 and name HG3 )) (( segid " " and resid 195 and name H )) ASSI { 172} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 192 and name H )) 2.400 2.400 3.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 0.777 ppm2 9.084 CV 1 ASSI { 173} (( segid " " and resid 195 and name HA )) (( segid " " and resid 196 and name H )) 2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 3.580 ppm2 8.349 CV 1 ASSI { 174} (( segid " " and resid 195 and name HD2 )) (( segid " " and resid 196 and name H )) 5.000 3.100 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 2.695 ppm2 8.348 CV 1 OR { 174} (( segid " " and resid 195 and name HD3 )) (( segid " " and resid 196 and name H )) ASSI { 175} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 191 and name H )) 3.300 1.400 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 0.777 ppm2 8.432 CV 1 ASSI { 178} (( segid " " and resid 195 and name HD3 )) ( segid " " and resid 198 and name HE% ) 3.200 1.300 1.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 2.705 ppm2 7.106 CV 1 OR { 178} (( segid " " and resid 195 and name HD2 )) ( segid " " and resid 198 and name HE% ) ASSI { 179} (( segid " " and resid 195 and name HD3 )) ( segid " " and resid 198 and name HD% ) 3.700 1.700 1.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 2.704 ppm2 6.964 CV 1 OR { 179} (( segid " " and resid 195 and name HD2 )) ( segid " " and resid 198 and name HD% ) ASSI { 181} (( segid " " and resid 121 and name HG12)) ( segid " " and resid 127 and name HE% ) 4.600 2.700 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 0.809 ppm2 6.641 CV 1 OR { 181} (( segid " " and resid 121 and name HG13)) ( segid " " and resid 127 and name HE% ) ASSI { 183} (( segid " " and resid 195 and name HA )) (( segid " " and resid 127 and name HA )) 2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 3.580 ppm2 4.747 CV 1 ASSI { 184} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 191 and name HA )) 3.000 1.100 1.100 peak 184 spectrum 1 weight 0.10000E+01 volume 0.21732E-02 ppm1 0.778 ppm2 4.893 CV 1 ASSI { 185} (( segid " " and resid 121 and name HG12)) (( segid " " and resid 121 and name HA )) 3.000 1.100 1.100 peak 185 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 0.819 ppm2 4.100 CV 1 OR { 185} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 121 and name HA )) ASSI { 186} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 73 and name HA )) 3.600 1.600 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.20412E-02 ppm1 0.822 ppm2 4.212 CV 1 ASSI { 187} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 68 and name HA )) 3.300 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 0.820 ppm2 3.916 CV 1 ASSI { 188} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 195 and name HA )) 3.000 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 1.184 ppm2 3.579 CV 1 ASSI { 189} (( segid " " and resid 195 and name HD2 )) (( segid " " and resid 195 and name HA )) 4.500 2.500 1.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.74811E-03 ppm1 2.687 ppm2 3.595 CV 1 OR { 189} (( segid " " and resid 195 and name HD3 )) (( segid " " and resid 195 and name HA )) ASSI { 190} (( segid " " and resid 195 and name HG3 )) (( segid " " and resid 195 and name HA )) 3.200 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 0.790 ppm2 3.582 CV 1 OR { 190} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HA )) ASSI { 191} (( segid " " and resid 195 and name HA )) (( segid " " and resid 127 and name HB2 )) 4.700 2.800 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 3.579 ppm2 2.801 CV 1 OR { 191} (( segid " " and resid 195 and name HA )) (( segid " " and resid 127 and name HB3 )) ASSI { 196} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 189 and name HG3 )) 2.300 2.300 3.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 0.779 ppm2 1.953 CV 1 ASSI { 197} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 189 and name HB2 )) 2.900 2.900 3.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 0.779 ppm2 1.839 CV 1 ASSI { 198} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 191 and name HG )) 2.200 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.99386E-02 ppm1 0.778 ppm2 1.632 CV 1 OR { 198} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 191 and name HB2 )) ASSI { 199} (( segid " " and resid 195 and name HD3 )) (( segid " " and resid 195 and name HB3 )) 3.000 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 2.695 ppm2 1.498 CV 1 OR { 199} (( segid " " and resid 195 and name HD2 )) (( segid " " and resid 195 and name HB3 )) ASSI { 200} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 195 and name HB3 )) 2.100 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.26404E-02 ppm1 1.192 ppm2 1.502 CV 1 ASSI { 201} (( segid " " and resid 195 and name HD2 )) (( segid " " and resid 195 and name HB2 )) 2.900 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 2.696 ppm2 1.189 CV 1 OR { 201} (( segid " " and resid 195 and name HD3 )) (( segid " " and resid 195 and name HB2 )) ASSI { 202} (( segid " " and resid 195 and name HD3 )) (( segid " " and resid 195 and name HG2 )) 2.600 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.42450E-02 ppm1 2.698 ppm2 0.795 CV 1 OR { 202} (( segid " " and resid 195 and name HD2 )) (( segid " " and resid 195 and name HG3 )) OR { 202} (( segid " " and resid 195 and name HD2 )) (( segid " " and resid 195 and name HG2 )) OR { 202} (( segid " " and resid 195 and name HD3 )) (( segid " " and resid 195 and name HG3 )) ASSI { 205} (( segid " " and resid 195 and name HB2 )) ( segid " " and resid 93 and name HD1%) 3.400 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 1.184 ppm2 0.948 CV 1 ASSI { 206} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 195 and name HG3 )) 3.100 1.200 1.200 peak 206 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 1.192 ppm2 0.797 CV 1 OR { 206} (( segid " " and resid 195 and name HB2 )) (( segid " " and resid 195 and name HG2 )) ASSI { 207} (( segid " " and resid 195 and name HB3 )) (( segid " " and resid 195 and name HG2 )) 3.000 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 1.509 ppm2 0.795 CV 1 OR { 207} (( segid " " and resid 195 and name HB3 )) (( segid " " and resid 195 and name HG3 )) ASSI { 211} (( segid " " and resid 195 and name HA )) (( segid " " and resid 195 and name HB3 )) 3.300 1.300 1.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 3.578 ppm2 1.516 CV 1 ASSI { 212} ( segid " " and resid 73 and name HD2%) ( segid " " and resid 62 and name HD1%) 2.900 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.29009E-02 ppm1 0.822 ppm2 0.396 CV 1 ASSI { 213} ( segid " " and resid 73 and name HD2%) ( segid " " and resid 62 and name HD2%) 3.000 1.100 1.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 0.823 ppm2 -0.162 CV 1 ASSI { 214} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 195 and name H )) 3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 1.707 ppm2 8.789 CV 1 ASSI { 216} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 195 and name H )) 4.100 2.100 1.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 1.513 ppm2 8.792 CV 1 ASSI { 217} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 195 and name H )) 4.100 2.100 1.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 3.011 ppm2 8.794 CV 1 ASSI { 218} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 194 and name H )) 4.500 2.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 2.985 ppm2 8.646 CV 1 OR { 218} (( segid " " and resid 194 and name HD3 )) (( segid " " and resid 194 and name H )) ASSI { 219} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name H )) 3.200 1.300 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.18990E-02 ppm1 1.483 ppm2 8.732 CV 1 ASSI { 220} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 82 and name HE )) 4.400 2.400 1.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.74811E-03 ppm1 1.707 ppm2 6.627 CV 1 ASSI { 222} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 194 and name HA )) 3.500 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 1.506 ppm2 4.735 CV 1 ASSI { 223} (( segid " " and resid 192 and name HG )) (( segid " " and resid 192 and name HA )) 3.400 1.500 1.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 1.366 ppm2 4.714 CV 1 ASSI { 226} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 194 and name HD2 )) 4.500 2.500 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 1.521 ppm2 2.989 CV 1 OR { 226} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 194 and name HD3 )) ASSI { 227} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 194 and name HD2 )) 3.400 1.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 1.717 ppm2 2.993 CV 1 OR { 227} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 194 and name HD3 )) ASSI { 228} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 194 and name HD2 )) 2.400 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.44887E-02 ppm1 1.437 ppm2 2.990 CV 1 OR { 228} (( segid " " and resid 194 and name HG3 )) (( segid " " and resid 194 and name HD3 )) OR { 228} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 194 and name HD3 )) OR { 228} (( segid " " and resid 194 and name HG3 )) (( segid " " and resid 194 and name HD2 )) ASSI { 231} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 80 and name HB3 )) 3.700 1.700 1.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.87335E-03 ppm1 1.715 ppm2 1.969 CV 1 ASSI { 232} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HD2 )) 3.400 1.400 1.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 1.472 ppm2 2.426 CV 1 ASSI { 233} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HD3 )) 4.200 2.200 1.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.73796E-03 ppm1 1.465 ppm2 2.138 CV 1 ASSI { 234} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 80 and name HB3 )) 4.800 2.900 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 1.475 ppm2 1.972 CV 1 ASSI { 235} (( segid " " and resid 194 and name HA )) (( segid " " and resid 194 and name HB3 )) 2.300 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.37982E-02 ppm1 4.748 ppm2 1.722 CV 1 ASSI { 237} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 194 and name HB3 )) 1.900 0.500 0.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.36186E-02 ppm1 1.504 ppm2 1.709 CV 1 ASSI { 238} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 194 and name HG2 )) 2.300 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.65771E-02 ppm1 3.010 ppm2 1.434 CV 1 OR { 238} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 194 and name HG3 )) ASSI { 239} (( segid " " and resid 194 and name HD3 )) (( segid " " and resid 194 and name HG3 )) 2.200 0.600 0.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.63877E-02 ppm1 2.977 ppm2 1.433 CV 1 OR { 239} (( segid " " and resid 194 and name HD3 )) (( segid " " and resid 194 and name HG2 )) ASSI { 240} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 34 and name HG2 )) 3.700 1.700 1.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 3.009 ppm2 2.141 CV 1 ASSI { 241} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 34 and name HB3 )) 2.800 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 3.009 ppm2 2.038 CV 1 ASSI { 242} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 34 and name HB2 )) 4.100 2.100 1.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 3.009 ppm2 1.959 CV 1 ASSI { 243} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name HB2 )) 3.300 1.400 1.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.31550E-02 ppm1 3.010 ppm2 1.881 CV 1 ASSI { 244} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name HG2 )) 1.900 1.900 4.100 peak 244 spectrum 1 weight 0.10000E+01 volume 0.14939E-01 ppm1 3.009 ppm2 1.665 CV 1 ASSI { 245} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 80 and name HB3 )) 2.600 0.900 0.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.19870E-02 ppm1 1.460 ppm2 1.977 CV 1 OR { 245} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 80 and name HG2 )) ASSI { 247} (( segid " " and resid 4 and name HG )) (( segid " " and resid 21 and name HB3 )) 3.600 1.600 1.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 1.491 ppm2 2.354 CV 1 ASSI { 248} (( segid " " and resid 194 and name HB2 )) ( segid " " and resid 193 and name HD2%) 2.500 2.500 3.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 1.522 ppm2 0.704 CV 1 ASSI { 250} (( segid " " and resid 194 and name HB3 )) ( segid " " and resid 130 and name HG1%) 4.600 2.600 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 1.718 ppm2 0.221 CV 1 ASSI { 251} (( segid " " and resid 194 and name HB2 )) ( segid " " and resid 130 and name HG1%) 4.100 2.100 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 1.506 ppm2 0.223 CV 1 ASSI { 252} (( segid " " and resid 194 and name HD2 )) ( segid " " and resid 130 and name HG1%) 3.800 1.800 1.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.27081E-02 ppm1 3.014 ppm2 0.227 CV 1 ASSI { 255} (( segid " " and resid 194 and name HD3 )) ( segid " " and resid 130 and name HG2%) 2.400 2.400 3.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 2.982 ppm2 0.477 CV 1 ASSI { 256} (( segid " " and resid 194 and name HG2 )) ( segid " " and resid 130 and name HG1%) 2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.28875E-02 ppm1 1.434 ppm2 0.225 CV 1 OR { 256} (( segid " " and resid 194 and name HG3 )) ( segid " " and resid 130 and name HG1%) ASSI { 257} (( segid " " and resid 194 and name HG3 )) ( segid " " and resid 130 and name HG2%) 3.400 1.400 1.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 1.439 ppm2 0.482 CV 1 ASSI { 258} (( segid " " and resid 171 and name HG )) (( segid " " and resid 171 and name HB3 )) 2.800 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.40486E-02 ppm1 1.434 ppm2 0.851 CV 1 ASSI { 259} (( segid " " and resid 192 and name HG )) ( segid " " and resid 130 and name HG1%) 3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 1.370 ppm2 0.230 CV 1 ASSI { 261} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 91 and name H )) 3.100 1.200 1.200 peak 261 spectrum 1 weight 0.10000E+01 volume 0.30568E-02 ppm1 0.925 ppm2 9.212 CV 1 ASSI { 262} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 90 and name H )) 4.100 2.100 1.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 0.924 ppm2 8.809 CV 1 ASSI { 263} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 191 and name H )) 2.600 0.800 0.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.51622E-02 ppm1 0.925 ppm2 8.436 CV 1 ASSI { 264} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 190 and name H )) 3.800 1.800 1.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.26505E-02 ppm1 0.926 ppm2 8.621 CV 1 ASSI { 266} (( segid " " and resid 190 and name HA )) (( segid " " and resid 191 and name H )) 2.600 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.28570E-02 ppm1 4.559 ppm2 8.442 CV 1 ASSI { 267} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 90 and name HA )) 3.200 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.23899E-02 ppm1 0.929 ppm2 5.054 CV 1 ASSI { 268} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 190 and name HA )) 2.500 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.58055E-02 ppm1 0.927 ppm2 4.559 CV 1 ASSI { 269} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 190 and name HB )) 2.400 0.700 0.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.66991E-02 ppm1 0.927 ppm2 3.892 CV 1 ASSI { 270} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 91 and name HD3 )) 4.500 2.500 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 0.925 ppm2 3.165 CV 1 ASSI { 272} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 89 and name HG2 )) 3.200 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.35747E-02 ppm1 0.907 ppm2 1.307 CV 1 ASSI { 273} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 89 and name HB3 )) 2.900 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.39910E-02 ppm1 0.926 ppm2 1.820 CV 1 OR { 273} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 89 and name HB2 )) ASSI { 274} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 91 and name HB2 )) 2.400 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.76062E-02 ppm1 0.926 ppm2 1.365 CV 1 ASSI { 277} (( segid " " and resid 188 and name HB2 )) (( segid " " and resid 188 and name H )) 4.500 2.500 1.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.50777E-03 ppm1 3.226 ppm2 7.589 CV 1 ASSI { 278} (( segid " " and resid 188 and name HA )) (( segid " " and resid 188 and name H )) 3.300 1.400 1.400 peak 278 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 4.521 ppm2 7.587 CV 1 ASSI { 279} (( segid " " and resid 7 and name HA )) (( segid " " and resid 17 and name H )) 3.400 1.500 1.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 4.510 ppm2 9.141 CV 1 ASSI { 284} (( segid " " and resid 7 and name HA )) (( segid " " and resid 16 and name HA )) 2.800 1.000 1.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.20852E-02 ppm1 4.500 ppm2 4.952 CV 1 ASSI { 286} (( segid " " and resid 188 and name HA )) (( segid " " and resid 188 and name HB2 )) 2.700 0.900 0.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.55008E-02 ppm1 4.517 ppm2 3.233 CV 1 ASSI { 287} (( segid " " and resid 188 and name HA )) (( segid " " and resid 188 and name HB3 )) 2.600 0.800 0.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.57682E-02 ppm1 4.518 ppm2 2.966 CV 1 ASSI { 288} (( segid " " and resid 188 and name HA )) (( segid " " and resid 89 and name HE2 )) 3.300 1.400 1.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.14827E-02 ppm1 4.517 ppm2 2.793 CV 1 OR { 288} (( segid " " and resid 188 and name HA )) (( segid " " and resid 89 and name HE3 )) ASSI { 289} (( segid " " and resid 188 and name HB2 )) (( segid " " and resid 188 and name HB3 )) 2.100 0.500 0.500 peak 289 spectrum 1 weight 0.10000E+01 volume 0.55313E-02 ppm1 3.238 ppm2 2.971 CV 1 ASSI { 290} (( segid " " and resid 188 and name HA )) (( segid " " and resid 187 and name HB3 )) 3.400 1.500 1.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.13879E-02 ppm1 4.513 ppm2 1.911 CV 1 OR { 290} (( segid " " and resid 188 and name HA )) (( segid " " and resid 187 and name HB2 )) ASSI { 291} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 3.300 1.400 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 4.506 ppm2 1.817 CV 1 ASSI { 293} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB3 )) 2.900 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.13033E-02 ppm1 4.510 ppm2 1.326 CV 1 ASSI { 295} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 51 and name HB2 )) 3.200 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 2.139 ppm2 0.991 CV 1 OR { 295} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 51 and name HB2 )) ASSI { 296} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 66 and name HG3 )) 3.500 1.500 1.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 2.401 ppm2 0.995 CV 1 ASSI { 297} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 66 and name HD3 )) 3.200 1.300 1.300 peak 297 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 2.397 ppm2 0.846 CV 1 ASSI { 298} (( segid " " and resid 186 and name HG2 )) ( segid " " and resid 185 and name HG2%) 2.400 2.400 3.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 2.187 ppm2 0.743 CV 1 OR { 298} (( segid " " and resid 186 and name HG2 )) ( segid " " and resid 185 and name HG1%) ASSI { 299} (( segid " " and resid 186 and name HG3 )) (( segid " " and resid 186 and name HB3 )) 2.500 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.40926E-02 ppm1 2.389 ppm2 1.664 CV 1 ASSI { 300} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 66 and name HB3 )) 2.900 1.000 1.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.20581E-02 ppm1 2.399 ppm2 1.530 CV 1 ASSI { 304} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HG3 )) 1.400 0.200 0.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.31570E-01 ppm1 2.401 ppm2 2.284 CV 1 ASSI { 305} (( segid " " and resid 186 and name HG3 )) (( segid " " and resid 186 and name HG2 )) 1.700 0.400 0.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.20520E-01 ppm1 2.390 ppm2 2.172 CV 1 OR { 305} (( segid " " and resid 186 and name HG3 )) (( segid " " and resid 186 and name HB2 )) ASSI { 307} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.69056E-02 ppm1 2.400 ppm2 1.919 CV 1 ASSI { 308} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 187 and name HG2 )) 1.500 0.300 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.18181E-01 ppm1 2.208 ppm2 2.055 CV 1 ASSI { 310} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name HB3 )) 3.000 1.100 1.100 peak 310 spectrum 1 weight 0.10000E+01 volume 0.42042E-02 ppm1 2.173 ppm2 1.667 CV 1 ASSI { 313} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HB3 )) 2.000 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.52333E-02 ppm1 2.095 ppm2 2.343 CV 1 ASSI { 314} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB3 )) 2.500 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.44345E-02 ppm1 2.147 ppm2 1.819 CV 1 OR { 314} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HB3 )) ASSI { 316} (( segid " " and resid 186 and name HB3 )) (( segid " " and resid 186 and name HB2 )) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.26642E-02 ppm1 1.666 ppm2 2.168 CV 1 OR { 316} (( segid " " and resid 186 and name HB3 )) (( segid " " and resid 186 and name HG2 )) ASSI { 317} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HB3 )) 3.800 1.800 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 4.324 ppm2 2.048 CV 1 ASSI { 318} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.40011E-02 ppm1 4.326 ppm2 1.885 CV 1 ASSI { 320} (( segid " " and resid 186 and name HA )) (( segid " " and resid 186 and name HB2 )) 3.000 1.100 1.100 peak 320 spectrum 1 weight 0.10000E+01 volume 0.39437E-02 ppm1 4.320 ppm2 2.170 CV 1 ASSI { 324} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 187 and name HA )) 2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.41569E-02 ppm1 2.206 ppm2 3.831 CV 1 ASSI { 325} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 62 and name HA )) 3.800 1.800 1.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 2.395 ppm2 3.870 CV 1 ASSI { 326} (( segid " " and resid 186 and name HG3 )) (( segid " " and resid 186 and name HA )) 3.400 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.37034E-02 ppm1 2.390 ppm2 4.320 CV 1 ASSI { 327} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HA )) 3.300 1.300 1.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.43533E-02 ppm1 2.400 ppm2 4.214 CV 1 ASSI { 328} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name HA )) 3.000 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.38150E-02 ppm1 2.178 ppm2 4.317 CV 1 ASSI { 330} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HA )) 2.600 0.800 0.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.30025E-02 ppm1 2.148 ppm2 4.896 CV 1 OR { 330} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HA )) ASSI { 332} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name H )) 3.300 1.400 1.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.17941E-02 ppm1 4.331 ppm2 7.973 CV 1 ASSI { 333} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name H )) 2.100 0.600 0.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.39910E-02 ppm1 2.401 ppm2 8.481 CV 1 ASSI { 334} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 65 and name H )) 4.400 2.500 1.600 peak 334 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 2.398 ppm2 8.156 CV 1 ASSI { 335} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 133 and name H )) 4.700 2.800 1.300 peak 335 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 2.118 ppm2 8.201 CV 1 ASSI { 336} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 188 and name HE1 )) 4.900 3.000 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 2.180 ppm2 7.837 CV 1 ASSI { 338} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name H )) 2.800 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.22409E-02 ppm1 2.174 ppm2 8.795 CV 1 ASSI { 339} (( segid " " and resid 186 and name HG3 )) (( segid " " and resid 186 and name H )) 3.600 1.600 1.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.32700E-02 ppm1 2.388 ppm2 8.796 CV 1 ASSI { 340} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 186 and name H )) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 2.146 ppm2 8.798 CV 1 ASSI { 341} (( segid " " and resid 186 and name HA )) (( segid " " and resid 186 and name H )) 3.200 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 4.326 ppm2 8.795 CV 1 ASSI { 347} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name H )) 3.800 1.800 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.19803E-02 ppm1 2.144 ppm2 9.051 CV 1 OR { 347} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name H )) ASSI { 348} (( segid " " and resid 186 and name HG3 )) (( segid " " and resid 187 and name H )) 4.500 2.600 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.14184E-02 ppm1 2.390 ppm2 9.148 CV 1 ASSI { 350} (( segid " " and resid 185 and name HA )) (( segid " " and resid 186 and name H )) 2.800 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.25151E-02 ppm1 3.846 ppm2 8.796 CV 1 ASSI { 351} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 98 and name H )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.65976E-02 ppm1 0.692 ppm2 9.136 CV 1 ASSI { 353} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name H )) 2.300 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.93057E-02 ppm1 0.709 ppm2 8.895 CV 1 ASSI { 355} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 16 and name H )) 3.700 1.700 1.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 0.707 ppm2 8.603 CV 1 ASSI { 356} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 64 and name H )) 3.100 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25151E-02 ppm1 0.755 ppm2 8.428 CV 1 ASSI { 357} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 97 and name H )) 3.200 1.300 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.49728E-02 ppm1 0.690 ppm2 8.405 CV 1 ASSI { 358} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name H )) 3.400 1.500 1.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.36729E-02 ppm1 0.709 ppm2 8.208 CV 1 ASSI { 359} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 103 and name H )) 2.900 1.100 1.100 peak 359 spectrum 1 weight 0.10000E+01 volume 0.28164E-02 ppm1 0.742 ppm2 8.060 CV 1 ASSI { 360} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 185 and name H )) 2.600 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 0.754 ppm2 7.345 CV 1 ASSI { 361} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 185 and name H )) 2.200 0.600 0.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.82528E-02 ppm1 0.696 ppm2 7.347 CV 1 ASSI { 363} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 184 and name H )) 3.900 1.900 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 0.698 ppm2 7.705 CV 1 ASSI { 366} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 183 and name H )) 2.400 2.400 3.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 0.756 ppm2 7.171 CV 1 ASSI { 367} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 183 and name H )) 4.200 2.200 1.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.14082E-02 ppm1 0.695 ppm2 7.168 CV 1 ASSI { 369} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 91 and name HH22)) 3.300 1.400 1.400 peak 369 spectrum 1 weight 0.10000E+01 volume 0.15538E-02 ppm1 0.696 ppm2 6.848 CV 1 ASSI { 370} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 27 and name H )) 4.100 2.100 1.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 0.756 ppm2 6.718 CV 1 ASSI { 371} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.37912E-02 ppm1 0.710 ppm2 5.306 CV 1 ASSI { 372} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HA )) 2.400 0.700 0.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.86658E-02 ppm1 0.709 ppm2 4.990 CV 1 ASSI { 374} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 374 spectrum 1 weight 0.10000E+01 volume 0.34765E-02 ppm1 0.706 ppm2 4.495 CV 1 ASSI { 375} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.21055E-02 ppm1 0.755 ppm2 4.377 CV 1 ASSI { 377} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 114 and name HB )) 2.900 1.000 1.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.22782E-02 ppm1 0.705 ppm2 4.223 CV 1 ASSI { 378} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 102 and name HA )) 2.300 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.63029E-02 ppm1 0.742 ppm2 4.652 CV 1 ASSI { 380} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 64 and name HA )) 2.600 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.70953E-02 ppm1 0.757 ppm2 3.910 CV 1 ASSI { 381} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 185 and name HA )) 2.900 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.76672E-02 ppm1 0.755 ppm2 3.848 CV 1 ASSI { 382} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 185 and name HA )) 2.400 0.700 0.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.75047E-02 ppm1 0.696 ppm2 3.841 CV 1 ASSI { 383} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 9 and name HB3 )) 3.700 1.700 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.27283E-02 ppm1 0.707 ppm2 3.661 CV 1 ASSI { 384} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 9 and name HB2 )) 3.000 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.31177E-02 ppm1 0.709 ppm2 3.575 CV 1 ASSI { 385} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HD3 )) 4.600 2.700 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.57887E-03 ppm1 1.692 ppm2 3.164 CV 1 ASSI { 386} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HD2 )) 3.300 1.300 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.58561E-03 ppm1 1.688 ppm2 2.957 CV 1 ASSI { 387} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 25 and name HA )) 2.700 0.900 0.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.47154E-02 ppm1 0.759 ppm2 3.280 CV 1 ASSI { 388} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 131 and name HD3 )) 2.300 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.22308E-02 ppm1 0.696 ppm2 3.061 CV 1 ASSI { 390} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 131 and name HD2 )) 3.000 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.32227E-02 ppm1 0.696 ppm2 2.956 CV 1 ASSI { 392} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 25 and name HB )) 2.300 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.51726E-02 ppm1 0.758 ppm2 2.751 CV 1 ASSI { 393} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 111 and name HG2 )) 3.100 1.200 1.200 peak 393 spectrum 1 weight 0.10000E+01 volume 0.32260E-02 ppm1 0.754 ppm2 2.613 CV 1 ASSI { 395} (( segid " " and resid 185 and name HA )) (( segid " " and resid 186 and name HG2 )) 4.000 2.000 2.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 3.840 ppm2 2.162 CV 1 OR { 395} (( segid " " and resid 185 and name HA )) (( segid " " and resid 186 and name HB2 )) ASSI { 396} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 111 and name HG3 )) 2.700 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 0.744 ppm2 2.243 CV 1 ASSI { 397} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 183 and name HB2 )) 3.100 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 0.753 ppm2 2.168 CV 1 ASSI { 398} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 183 and name HB2 )) 2.500 0.800 0.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.33005E-02 ppm1 0.697 ppm2 2.161 CV 1 ASSI { 399} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 183 and name HB3 )) 2.800 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.32464E-02 ppm1 0.702 ppm2 2.062 CV 1 OR { 399} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 183 and name HB3 )) ASSI { 400} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 102 and name HB )) 2.100 0.600 0.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.98337E-02 ppm1 0.745 ppm2 1.955 CV 1 ASSI { 402} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 185 and name HB )) 2.100 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.98135E-02 ppm1 0.754 ppm2 1.683 CV 1 ASSI { 403} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 185 and name HB )) 2.000 0.500 0.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11096E-01 ppm1 0.697 ppm2 1.681 CV 1 ASSI { 404} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 64 and name HB% ) 2.700 0.900 0.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.79515E-02 ppm1 0.755 ppm2 1.516 CV 1 ASSI { 405} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 7 and name HD3 )) 2.400 0.700 0.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.15148E-01 ppm1 0.705 ppm2 1.464 CV 1 OR { 405} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 7 and name HD2 )) ASSI { 406} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 7 and name HB3 )) 2.000 0.500 0.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.12153E-01 ppm1 0.701 ppm2 1.336 CV 1 ASSI { 407} ( segid " " and resid 102 and name HG1%) ( segid " " and resid 114 and name HG2%) 2.200 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.80735E-02 ppm1 0.705 ppm2 1.187 CV 1 ASSI { 409} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 78 and name HG2%) 1.900 1.900 4.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.49999E-02 ppm1 0.709 ppm2 1.006 CV 1 ASSI { 410} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 25 and name HG2%) 2.100 0.600 0.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.13222E-01 ppm1 0.758 ppm2 0.979 CV 1 ASSI { 411} ( segid " " and resid 97 and name HG2%) ( segid " " and resid 190 and name HG2%) 2.500 0.800 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.79213E-02 ppm1 0.694 ppm2 0.925 CV 1 ASSI { 413} (( segid " " and resid 91 and name HB3 )) ( segid " " and resid 190 and name HG2%) 4.100 2.100 1.900 peak 413 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 1.697 ppm2 0.929 CV 1 ASSI { 414} (( segid " " and resid 185 and name HB )) ( segid " " and resid 185 and name HG1%) 2.500 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.37269E-02 ppm1 1.701 ppm2 0.712 CV 1 OR { 414} (( segid " " and resid 185 and name HB )) ( segid " " and resid 185 and name HG2%) ASSI { 416} (( segid " " and resid 185 and name HA )) ( segid " " and resid 185 and name HG1%) 2.900 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.29384E-02 ppm1 3.843 ppm2 0.699 CV 1 OR { 416} (( segid " " and resid 185 and name HA )) ( segid " " and resid 185 and name HG2%) ASSI { 417} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 62 and name HD1%) 4.200 2.200 1.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.27216E-02 ppm1 0.758 ppm2 0.400 CV 1 ASSI { 418} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 68 and name HD2%) 4.100 2.100 1.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.25151E-02 ppm1 0.757 ppm2 0.293 CV 1 ASSI { 419} ( segid " " and resid 25 and name HG1%) ( segid " " and resid 62 and name HD2%) 4.700 2.800 1.300 peak 419 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 0.756 ppm2 -0.161 CV 1 ASSI { 420} (( segid " " and resid 120 and name HA2 )) (( segid " " and resid 119 and name HG12)) 5.100 3.300 0.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.75150E-03 ppm1 3.668 ppm2 1.205 CV 1 ASSI { 422} (( segid " " and resid 184 and name HA3 )) (( segid " " and resid 57 and name HG2 )) 4.900 3.000 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 4.048 ppm2 1.419 CV 1 OR { 422} (( segid " " and resid 184 and name HA3 )) (( segid " " and resid 57 and name HG3 )) ASSI { 423} (( segid " " and resid 184 and name HA2 )) (( segid " " and resid 57 and name HG3 )) 4.200 2.200 1.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 3.665 ppm2 1.429 CV 1 OR { 423} (( segid " " and resid 184 and name HA2 )) (( segid " " and resid 57 and name HG2 )) ASSI { 424} (( segid " " and resid 184 and name HA2 )) (( segid " " and resid 57 and name HD2 )) 3.200 1.300 1.300 peak 424 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 3.666 ppm2 1.658 CV 1 OR { 424} (( segid " " and resid 184 and name HA2 )) (( segid " " and resid 57 and name HD3 )) ASSI { 425} (( segid " " and resid 120 and name HA3 )) (( segid " " and resid 119 and name HG12)) 5.100 3.200 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 4.049 ppm2 1.209 CV 1 ASSI { 429} (( segid " " and resid 120 and name HA2 )) (( segid " " and resid 119 and name HA )) 4.500 2.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 3.671 ppm2 4.325 CV 1 ASSI { 430} (( segid " " and resid 120 and name HA3 )) (( segid " " and resid 119 and name HA )) 4.200 2.200 1.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 4.055 ppm2 4.326 CV 1 ASSI { 432} (( segid " " and resid 184 and name HA3 )) (( segid " " and resid 183 and name H )) 5.000 3.100 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 4.056 ppm2 7.164 CV 1 ASSI { 441} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name HB )) 3.000 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 4.581 ppm2 4.714 CV 1 ASSI { 442} (( segid " " and resid 179 and name HA )) (( segid " " and resid 180 and name H )) 2.900 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 4.586 ppm2 8.962 CV 1 ASSI { 443} (( segid " " and resid 179 and name HA )) (( segid " " and resid 179 and name H )) 3.500 1.500 1.500 peak 443 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 4.595 ppm2 9.375 CV 1 ASSI { 445} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 97 and name HA )) 3.500 1.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 1.072 ppm2 4.868 CV 1 ASSI { 446} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HA )) 2.300 0.700 0.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.12860E-01 ppm1 1.072 ppm2 4.172 CV 1 ASSI { 447} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HB )) 2.100 0.500 0.500 peak 447 spectrum 1 weight 0.10000E+01 volume 0.18039E-01 ppm1 1.073 ppm2 4.069 CV 1 ASSI { 448} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 97 and name H )) 2.500 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.78163E-02 ppm1 1.073 ppm2 8.397 CV 1 ASSI { 449} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name H )) 3.300 1.400 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.65231E-02 ppm1 1.073 ppm2 8.052 CV 1 ASSI { 450} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 92 and name HB2 )) 4.200 2.200 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 1.073 ppm2 2.453 CV 1 ASSI { 452} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 97 and name HB )) 4.100 2.100 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.20615E-02 ppm1 1.072 ppm2 1.807 CV 1 ASSI { 454} (( segid " " and resid 179 and name HA )) ( segid " " and resid 108 and name HG2%) 3.600 1.600 1.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 4.578 ppm2 0.929 CV 1 ASSI { 456} (( segid " " and resid 177 and name HA2 )) ( segid " " and resid 107 and name HG2%) 3.500 1.600 1.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 3.709 ppm2 1.203 CV 1 ASSI { 457} (( segid " " and resid 65 and name HA3 )) ( segid " " and resid 64 and name HB% ) 4.300 2.400 1.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 4.359 ppm2 1.528 CV 1 ASSI { 458} (( segid " " and resid 65 and name HA3 )) ( segid " " and resid 24 and name HE% ) 4.200 2.200 1.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 4.351 ppm2 2.024 CV 1 ASSI { 459} (( segid " " and resid 177 and name HA3 )) (( segid " " and resid 177 and name HA2 )) 2.300 0.600 0.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.44955E-02 ppm1 4.377 ppm2 3.703 CV 1 ASSI { 460} (( segid " " and resid 65 and name HA3 )) (( segid " " and resid 65 and name HA2 )) 2.200 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.45970E-02 ppm1 4.347 ppm2 3.571 CV 1 ASSI { 461} (( segid " " and resid 95 and name HA2 )) (( segid " " and resid 95 and name HA3 )) 2.200 0.600 0.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.46477E-02 ppm1 4.330 ppm2 3.503 CV 1 ASSI { 462} (( segid " " and resid 177 and name HA3 )) ( segid " " and resid 107 and name HG2%) 4.700 2.700 1.300 peak 462 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 4.373 ppm2 1.200 CV 1 ASSI { 464} (( segid " " and resid 65 and name HA3 )) (( segid " " and resid 66 and name H )) 4.000 2.000 2.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 4.365 ppm2 7.471 CV 1 ASSI { 466} (( segid " " and resid 177 and name HA2 )) (( segid " " and resid 178 and name H )) 3.900 1.900 1.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 3.709 ppm2 7.012 CV 1 ASSI { 474} (( segid " " and resid 176 and name HA )) (( segid " " and resid 108 and name H )) 3.500 1.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 4.259 ppm2 7.894 CV 1 ASSI { 475} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name H )) 2.300 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.53010E-02 ppm1 4.274 ppm2 8.324 CV 1 ASSI { 479} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name H )) 3.000 1.100 1.100 peak 479 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 4.278 ppm2 9.174 CV 1 ASSI { 480} (( segid " " and resid 176 and name HB3 )) (( segid " " and resid 176 and name H )) 4.300 2.300 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 3.511 ppm2 9.309 CV 1 ASSI { 481} (( segid " " and resid 176 and name HB2 )) (( segid " " and resid 176 and name H )) 3.600 1.700 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 3.001 ppm2 9.308 CV 1 ASSI { 482} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HA )) 3.900 1.900 1.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 4.269 ppm2 4.863 CV 1 ASSI { 484} (( segid " " and resid 176 and name HB2 )) (( segid " " and resid 176 and name HB3 )) 2.400 0.700 0.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18990E-02 ppm1 3.004 ppm2 3.515 CV 1 ASSI { 485} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB3 )) 2.900 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 4.256 ppm2 3.519 CV 1 ASSI { 486} (( segid " " and resid 100 and name HA )) (( segid " " and resid 118 and name HD2 )) 6.000 4.600 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 4.267 ppm2 3.152 CV 1 ASSI { 487} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB2 )) 3.600 1.600 1.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 4.261 ppm2 3.006 CV 1 ASSI { 489} (( segid " " and resid 176 and name HA )) (( segid " " and resid 108 and name HB )) 2.300 0.600 0.600 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 4.254 ppm2 2.312 CV 1 ASSI { 490} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HG3 )) 5.000 3.200 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 4.277 ppm2 2.506 CV 1 ASSI { 491} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HB2 )) 4.500 2.500 1.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 4.282 ppm2 1.885 CV 1 ASSI { 492} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB )) 2.500 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.26066E-02 ppm1 4.275 ppm2 1.582 CV 1 ASSI { 495} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG13)) 3.700 1.700 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 4.276 ppm2 1.068 CV 1 ASSI { 496} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG12)) 2.600 0.800 0.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 4.274 ppm2 1.245 CV 1 ASSI { 499} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 174 and name H )) 3.800 1.800 1.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 3.542 ppm2 8.445 CV 1 ASSI { 502} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 173 and name HE3 )) 3.400 1.400 1.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 3.546 ppm2 7.590 CV 1 ASSI { 507} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name H )) 2.900 1.100 1.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 4.631 ppm2 6.713 CV 1 ASSI { 508} (( segid " " and resid 173 and name HB3 )) (( segid " " and resid 173 and name HA )) 2.900 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 3.545 ppm2 4.663 CV 1 ASSI { 509} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name HA )) 3.300 1.400 1.400 peak 509 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 2.986 ppm2 4.670 CV 1 ASSI { 510} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name HB3 )) 2.300 0.600 0.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.30162E-02 ppm1 2.992 ppm2 3.549 CV 1 ASSI { 512} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 173 and name H )) 4.000 2.000 2.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 2.629 ppm2 7.679 CV 1 ASSI { 515} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 173 and name H )) 4.000 2.000 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 2.845 ppm2 7.677 CV 1 ASSI { 516} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD21)) 2.900 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.26877E-02 ppm1 2.846 ppm2 7.505 CV 1 OR { 516} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HD21)) ASSI { 517} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 172 and name HD21)) 2.200 0.600 0.600 peak 517 spectrum 1 weight 0.10000E+01 volume 0.26234E-02 ppm1 2.839 ppm2 7.400 CV 1 ASSI { 518} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD22)) 4.000 2.000 2.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20818E-02 ppm1 2.848 ppm2 6.817 CV 1 OR { 518} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HD22)) ASSI { 519} (( segid " " and resid 172 and name HA )) (( segid " " and resid 173 and name H )) 2.300 0.600 0.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.81412E-02 ppm1 4.769 ppm2 7.681 CV 1 ASSI { 520} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HD21)) 3.900 1.900 1.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.15098E-02 ppm1 4.762 ppm2 7.399 CV 1 ASSI { 521} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 172 and name H )) 2.900 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.34630E-02 ppm1 2.838 ppm2 8.335 CV 1 ASSI { 523} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name H )) 2.200 0.600 0.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.46242E-02 ppm1 2.626 ppm2 8.341 CV 1 ASSI { 524} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name H )) 2.600 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.31278E-02 ppm1 4.774 ppm2 8.334 CV 1 ASSI { 525} (( segid " " and resid 172 and name HA )) (( segid " " and resid 171 and name H )) 4.800 2.800 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 4.763 ppm2 8.190 CV 1 ASSI { 529} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 172 and name HA )) 2.900 1.000 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.36323E-02 ppm1 2.837 ppm2 4.769 CV 1 ASSI { 531} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name HA )) 4.100 2.100 1.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 2.835 ppm2 4.226 CV 1 OR { 531} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 13 and name HA )) ASSI { 533} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 132 and name HA )) 4.500 2.600 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 2.618 ppm2 4.146 CV 1 ASSI { 534} (( segid " " and resid -3 and name HA )) (( segid " " and resid -4 and name HA )) 3.800 1.800 1.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 4.790 ppm2 4.132 CV 1 ASSI { 535} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 11 and name HA3 )) 4.800 2.900 1.200 peak 535 spectrum 1 weight 0.10000E+01 volume 0.70749E-03 ppm1 2.859 ppm2 3.670 CV 1 OR { 535} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 11 and name HA3 )) ASSI { 536} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 172 and name HB2 )) 1.700 0.300 0.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.10897E-01 ppm1 2.628 ppm2 2.837 CV 1 ASSI { 539} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HB3 )) 2.400 0.700 0.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.40587E-02 ppm1 4.778 ppm2 2.633 CV 1 ASSI { 540} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 131 and name HB2 )) 2.400 0.700 0.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.13033E-02 ppm1 2.836 ppm2 1.987 CV 1 ASSI { 542} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 131 and name HB2 )) 3.500 1.500 1.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.10189E-02 ppm1 2.628 ppm2 1.995 CV 1 ASSI { 543} (( segid " " and resid 172 and name HB3 )) ( segid " " and resid 133 and name HD1%) 4.700 2.800 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 2.631 ppm2 0.821 CV 1 OR { 543} (( segid " " and resid 172 and name HB3 )) ( segid " " and resid 133 and name HD2%) ASSI { 546} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 13 and name HG1%) 4.700 2.700 1.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 2.850 ppm2 0.912 CV 1 ASSI { 547} (( segid " " and resid 172 and name HB2 )) ( segid " " and resid 133 and name HD2%) 4.000 2.000 2.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 2.844 ppm2 0.819 CV 1 OR { 547} (( segid " " and resid 172 and name HB2 )) ( segid " " and resid 133 and name HD1%) ASSI { 548} (( segid " " and resid 172 and name HB2 )) ( segid " " and resid 174 and name HD2%) 3.800 1.800 1.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.96476E-03 ppm1 2.840 ppm2 0.691 CV 1 ASSI { 550} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name H )) 3.000 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 4.392 ppm2 8.789 CV 1 ASSI { 552} (( segid " " and resid 130 and name HB )) (( segid " " and resid 130 and name H )) 3.200 1.300 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 1.656 ppm2 8.792 CV 1 ASSI { 553} (( segid " " and resid 130 and name HB )) (( segid " " and resid 192 and name H )) 4.700 2.800 1.300 peak 553 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 1.664 ppm2 9.100 CV 1 ASSI { 555} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 130 and name H )) 2.300 0.700 0.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.57073E-02 ppm1 0.228 ppm2 8.792 CV 1 ASSI { 556} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 194 and name H )) 3.800 1.900 1.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 0.229 ppm2 8.641 CV 1 ASSI { 557} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 192 and name H )) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.15808E-02 ppm1 0.228 ppm2 9.084 CV 1 ASSI { 559} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 131 and name H )) 2.300 0.700 0.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.88521E-02 ppm1 0.485 ppm2 8.411 CV 1 ASSI { 560} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 171 and name H )) 4.500 2.500 1.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 0.482 ppm2 8.193 CV 1 ASSI { 561} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 108 and name H )) 3.700 1.700 1.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.25422E-02 ppm1 0.490 ppm2 7.899 CV 1 ASSI { 562} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 129 and name H )) 3.800 1.800 1.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.12254E-02 ppm1 0.487 ppm2 8.899 CV 1 ASSI { 564} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 132 and name H )) 3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 0.487 ppm2 8.638 CV 1 ASSI { 566} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 173 and name H )) 3.600 1.600 1.600 peak 566 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 0.485 ppm2 7.677 CV 1 ASSI { 567} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 173 and name HE3 )) 4.000 2.000 2.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 0.484 ppm2 7.563 CV 1 ASSI { 568} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name H )) 4.900 3.000 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 0.226 ppm2 7.677 CV 1 ASSI { 570} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name HE3 )) 3.600 1.700 1.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 0.228 ppm2 7.563 CV 1 ASSI { 571} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 172 and name HD21)) 3.900 1.900 1.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 0.486 ppm2 7.402 CV 1 ASSI { 572} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 173 and name HD1 )) 3.400 1.400 1.400 peak 572 spectrum 1 weight 0.10000E+01 volume 0.14895E-02 ppm1 0.485 ppm2 7.268 CV 1 ASSI { 573} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 129 and name HA )) 4.500 2.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 0.485 ppm2 5.576 CV 1 ASSI { 574} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 129 and name HA )) 3.600 1.600 1.600 peak 574 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 0.229 ppm2 5.578 CV 1 ASSI { 576} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 176 and name HD2 )) 3.200 1.300 1.300 peak 576 spectrum 1 weight 0.10000E+01 volume 0.25828E-02 ppm1 0.493 ppm2 6.920 CV 1 ASSI { 577} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 173 and name HZ3 )) 4.400 2.400 1.600 peak 577 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 0.484 ppm2 6.704 CV 1 ASSI { 578} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name HH2 )) 4.200 2.200 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 0.231 ppm2 6.839 CV 1 ASSI { 579} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name HZ3 )) 4.000 2.000 2.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 0.227 ppm2 6.711 CV 1 ASSI { 580} (( segid " " and resid 130 and name HB )) (( segid " " and resid 173 and name HA )) 3.400 1.400 1.400 peak 580 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 1.645 ppm2 4.681 CV 1 ASSI { 581} (( segid " " and resid 130 and name HA )) (( segid " " and resid 173 and name HA )) 2.500 0.800 0.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 4.382 ppm2 4.668 CV 1 ASSI { 582} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name HA )) 3.800 1.800 1.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.32056E-02 ppm1 0.226 ppm2 4.672 CV 1 ASSI { 584} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 130 and name HA )) 2.800 1.000 1.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.53992E-02 ppm1 0.227 ppm2 4.387 CV 1 ASSI { 585} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 193 and name HA )) 3.700 1.700 1.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 0.226 ppm2 4.880 CV 1 ASSI { 587} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 191 and name HA )) 4.000 2.000 2.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 0.482 ppm2 4.887 CV 1 ASSI { 588} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 173 and name HA )) 2.600 0.900 0.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.43872E-02 ppm1 0.485 ppm2 4.678 CV 1 ASSI { 589} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 130 and name HA )) 2.200 0.600 0.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.94005E-02 ppm1 0.485 ppm2 4.389 CV 1 ASSI { 590} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 176 and name HA )) 3.200 1.300 1.300 peak 590 spectrum 1 weight 0.10000E+01 volume 0.46882E-02 ppm1 0.494 ppm2 4.255 CV 1 ASSI { 591} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 171 and name HA )) 2.900 1.000 1.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.42753E-02 ppm1 0.484 ppm2 4.131 CV 1 ASSI { 592} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 109 and name HA )) 3.800 1.800 1.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.18957E-02 ppm1 0.493 ppm2 3.777 CV 1 ASSI { 593} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 108 and name HA )) 2.400 0.700 0.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.44244E-02 ppm1 0.495 ppm2 3.456 CV 1 ASSI { 594} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 194 and name HD3 )) 3.000 1.100 1.100 peak 594 spectrum 1 weight 0.10000E+01 volume 0.40688E-02 ppm1 0.227 ppm2 2.990 CV 1 OR { 594} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 194 and name HD2 )) ASSI { 596} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 172 and name HB2 )) 3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.24643E-02 ppm1 0.485 ppm2 2.835 CV 1 ASSI { 597} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 109 and name HB )) 4.800 2.900 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 0.492 ppm2 4.010 CV 1 ASSI { 598} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB )) 2.700 0.900 0.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 4.386 ppm2 1.648 CV 1 ASSI { 599} (( segid " " and resid 130 and name HA )) (( segid " " and resid 192 and name HB2 )) 4.800 2.900 1.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.56871E-03 ppm1 4.383 ppm2 1.362 CV 1 ASSI { 600} (( segid " " and resid 130 and name HB )) (( segid " " and resid 192 and name HB2 )) 4.000 2.000 2.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 1.658 ppm2 1.382 CV 1 OR { 600} (( segid " " and resid 130 and name HB )) (( segid " " and resid 192 and name HG )) ASSI { 601} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 130 and name HB )) 2.100 0.600 0.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.91736E-02 ppm1 0.227 ppm2 1.659 CV 1 ASSI { 604} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 108 and name HB )) 2.300 0.600 0.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.42923E-02 ppm1 0.494 ppm2 2.313 CV 1 ASSI { 605} ( segid " " and resid 108 and name HG1%) ( segid " " and resid 111 and name HE% ) 2.700 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.38083E-02 ppm1 0.487 ppm2 1.998 CV 1 ASSI { 606} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 130 and name HB )) 2.000 0.500 0.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.13771E-01 ppm1 0.485 ppm2 1.655 CV 1 ASSI { 608} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 172 and name HB3 )) 3.700 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.27386E-02 ppm1 0.485 ppm2 2.624 CV 1 ASSI { 614} (( segid " " and resid 130 and name HB )) ( segid " " and resid 192 and name HD2%) 4.000 2.000 2.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.28368E-02 ppm1 1.659 ppm2 0.706 CV 1 OR { 614} (( segid " " and resid 130 and name HB )) ( segid " " and resid 192 and name HD1%) ASSI { 615} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 171 and name HB3 )) 3.700 1.700 1.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 0.226 ppm2 0.815 CV 1 ASSI { 616} ( segid " " and resid 130 and name HG1%) ( segid " " and resid 192 and name HD1%) 2.400 0.700 0.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.12653E-01 ppm1 0.227 ppm2 0.701 CV 1 ASSI { 617} ( segid " " and resid 130 and name HG1%) ( segid " " and resid 129 and name HD2%) 3.400 1.400 1.400 peak 617 spectrum 1 weight 0.10000E+01 volume 0.45665E-02 ppm1 0.224 ppm2 0.629 CV 1 ASSI { 618} ( segid " " and resid 130 and name HG1%) ( segid " " and resid 130 and name HG2%) 2.000 0.500 0.500 peak 618 spectrum 1 weight 0.10000E+01 volume 0.17704E-01 ppm1 0.227 ppm2 0.482 CV 1 ASSI { 620} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 171 and name HB3 )) 2.200 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.47898E-02 ppm1 0.486 ppm2 0.844 CV 1 ASSI { 622} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 129 and name HB2 )) 2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 0.491 ppm2 1.202 CV 1 ASSI { 624} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name H )) 2.700 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.19092E-02 ppm1 5.581 ppm2 8.795 CV 1 ASSI { 625} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 130 and name H )) 3.200 1.300 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.53653E-02 ppm1 0.742 ppm2 8.794 CV 1 ASSI { 626} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 194 and name H )) 2.700 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.66686E-02 ppm1 0.741 ppm2 8.641 CV 1 ASSI { 627} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 129 and name H )) 3.500 1.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.34664E-02 ppm1 0.683 ppm2 8.880 CV 1 ASSI { 628} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name H )) 4.200 2.200 1.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 0.637 ppm2 8.883 CV 1 ASSI { 629} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 130 and name H )) 2.900 1.100 1.100 peak 629 spectrum 1 weight 0.10000E+01 volume 0.18618E-02 ppm1 0.638 ppm2 8.788 CV 1 ASSI { 630} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name H )) 3.700 1.700 1.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.47221E-02 ppm1 0.682 ppm2 8.749 CV 1 ASSI { 631} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 131 and name H )) 4.100 2.100 1.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 0.632 ppm2 8.405 CV 1 ASSI { 632} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HA )) 3.100 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.61947E-02 ppm1 0.739 ppm2 5.577 CV 1 ASSI { 633} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HA )) 2.900 1.100 1.100 peak 633 spectrum 1 weight 0.10000E+01 volume 0.20548E-02 ppm1 0.637 ppm2 5.576 CV 1 ASSI { 634} (( segid " " and resid 129 and name HA )) (( segid " " and resid 193 and name HA )) 3.500 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 5.587 ppm2 4.871 CV 1 ASSI { 635} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 191 and name HA )) 2.500 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.10470E-01 ppm1 0.745 ppm2 4.883 CV 1 ASSI { 636} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 90 and name HA )) 2.400 2.400 3.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 0.748 ppm2 5.045 CV 1 ASSI { 638} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB2 )) 3.300 1.400 1.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 5.587 ppm2 1.151 CV 1 ASSI { 639} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB3 )) 3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 5.583 ppm2 1.482 CV 1 ASSI { 640} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HB3 )) 2.200 0.600 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 1.165 ppm2 1.466 CV 1 ASSI { 642} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 111 and name HE% ) 3.400 1.500 1.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.21936E-02 ppm1 0.636 ppm2 1.949 CV 1 ASSI { 643} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 191 and name HB2 )) 3.100 1.200 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.37811E-02 ppm1 0.637 ppm2 1.619 CV 1 OR { 643} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 191 and name HG )) ASSI { 644} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HB3 )) 2.100 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10362E-01 ppm1 0.637 ppm2 1.502 CV 1 ASSI { 645} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 129 and name HB2 )) 2.900 1.100 1.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.48102E-02 ppm1 0.636 ppm2 1.160 CV 1 ASSI { 646} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 193 and name HB2 )) 3.700 1.700 1.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 0.636 ppm2 1.014 CV 1 ASSI { 647} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 193 and name HB3 )) 2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.47019E-02 ppm1 0.742 ppm2 1.842 CV 1 ASSI { 649} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 191 and name HB3 )) 2.700 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.68550E-02 ppm1 0.745 ppm2 1.227 CV 1 ASSI { 650} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB2 )) 2.400 0.700 0.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.69157E-02 ppm1 0.740 ppm2 1.170 CV 1 ASSI { 653} (( segid " " and resid 129 and name HB3 )) ( segid " " and resid 129 and name HD1%) 3.100 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 1.450 ppm2 0.745 CV 1 ASSI { 658} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 129 and name HD1%) 2.000 0.500 0.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.26980E-01 ppm1 0.637 ppm2 0.743 CV 1 ASSI { 663} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name H )) 3.000 1.100 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 1.225 ppm2 7.952 CV 1 ASSI { 664} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name H )) 3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.34630E-02 ppm1 0.286 ppm2 7.949 CV 1 ASSI { 665} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 123 and name H )) 2.800 1.000 1.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.27249E-02 ppm1 0.492 ppm2 8.700 CV 1 ASSI { 666} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 122 and name H )) 3.100 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.24339E-02 ppm1 0.491 ppm2 8.498 CV 1 ASSI { 667} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 116 and name H )) 4.900 3.000 1.100 peak 667 spectrum 1 weight 0.10000E+01 volume 0.10223E-02 ppm1 0.490 ppm2 8.346 CV 1 ASSI { 668} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name H )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.35170E-02 ppm1 0.490 ppm2 7.950 CV 1 ASSI { 671} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 93 and name H )) 3.700 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 0.283 ppm2 8.506 CV 1 ASSI { 672} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 116 and name H )) 4.600 2.700 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.85304E-03 ppm1 0.284 ppm2 8.346 CV 1 ASSI { 674} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 118 and name H )) 2.600 2.600 3.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.84627E-03 ppm1 0.292 ppm2 7.675 CV 1 ASSI { 678} ( segid " " and resid 121 and name HG2%) ( segid " " and resid 127 and name HD% ) 3.600 1.700 1.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.31855E-02 ppm1 0.490 ppm2 6.866 CV 1 ASSI { 679} ( segid " " and resid 121 and name HG2%) ( segid " " and resid 127 and name HE% ) 2.400 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.56429E-02 ppm1 0.491 ppm2 6.636 CV 1 ASSI { 680} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 127 and name HD% ) 3.700 1.700 1.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 0.285 ppm2 6.863 CV 1 ASSI { 681} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 127 and name HE% ) 2.900 1.000 1.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.29009E-02 ppm1 0.286 ppm2 6.638 CV 1 ASSI { 682} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 123 and name HA )) 3.900 1.900 1.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 0.491 ppm2 4.893 CV 1 ASSI { 683} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HA )) 3.300 1.400 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.24407E-02 ppm1 0.866 ppm2 4.390 CV 1 ASSI { 684} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 124 and name HA )) 3.200 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.26337E-02 ppm1 0.491 ppm2 4.382 CV 1 ASSI { 685} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 119 and name HA )) 2.500 2.500 3.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 0.288 ppm2 4.322 CV 1 ASSI { 686} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HA )) 2.500 0.800 0.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.52741E-02 ppm1 0.491 ppm2 4.114 CV 1 ASSI { 687} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HA )) 3.900 1.900 1.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.34597E-02 ppm1 0.285 ppm2 4.114 CV 1 ASSI { 688} (( segid " " and resid 121 and name HB )) (( segid " " and resid 116 and name HA )) 3.400 1.500 1.500 peak 688 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.225 ppm2 3.746 CV 1 ASSI { 689} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 116 and name HA )) 2.500 0.800 0.800 peak 689 spectrum 1 weight 0.10000E+01 volume 0.36695E-02 ppm1 0.285 ppm2 3.744 CV 1 ASSI { 690} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 116 and name HA )) 4.000 2.000 2.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.23696E-02 ppm1 0.492 ppm2 3.745 CV 1 ASSI { 691} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 116 and name HB2 )) 3.000 1.200 1.200 peak 691 spectrum 1 weight 0.10000E+01 volume 0.32227E-02 ppm1 0.492 ppm2 2.996 CV 1 ASSI { 692} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 116 and name HB3 )) 3.500 1.500 1.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.33782E-02 ppm1 0.491 ppm2 2.804 CV 1 ASSI { 693} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 123 and name HB3 )) 3.400 1.500 1.500 peak 693 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 0.489 ppm2 2.694 CV 1 ASSI { 694} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 116 and name HB2 )) 3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.16892E-02 ppm1 0.286 ppm2 2.989 CV 1 ASSI { 695} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 116 and name HB3 )) 3.600 1.600 1.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.19397E-02 ppm1 0.286 ppm2 2.801 CV 1 ASSI { 696} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB )) 3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 4.121 ppm2 1.211 CV 1 ASSI { 698} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 119 and name HB )) 3.000 1.100 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.37372E-02 ppm1 0.286 ppm2 1.916 CV 1 ASSI { 702} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HB3 )) 2.800 1.000 1.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 0.864 ppm2 1.549 CV 1 ASSI { 703} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HB )) 2.000 0.500 0.500 peak 703 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 0.491 ppm2 1.211 CV 1 ASSI { 704} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HG12)) 2.500 0.800 0.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.59003E-02 ppm1 0.491 ppm2 0.816 CV 1 OR { 704} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 121 and name HG13)) ASSI { 705} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HD2 )) 1.600 0.300 0.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.61947E-02 ppm1 0.865 ppm2 0.496 CV 1 ASSI { 706} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HG13)) 3.200 1.300 1.300 peak 706 spectrum 1 weight 0.10000E+01 volume 0.81580E-03 ppm1 1.207 ppm2 0.809 CV 1 OR { 706} (( segid " " and resid 121 and name HB )) (( segid " " and resid 121 and name HG12)) ASSI { 707} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 93 and name HD2%) 2.400 0.700 0.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.57817E-02 ppm1 0.286 ppm2 0.957 CV 1 ASSI { 708} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HG13)) 2.100 0.500 0.500 peak 708 spectrum 1 weight 0.10000E+01 volume 0.10687E-01 ppm1 0.286 ppm2 0.808 CV 1 OR { 708} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HG12)) ASSI { 711} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 121 and name HG2%) 2.100 0.500 0.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.16783E-01 ppm1 0.286 ppm2 0.490 CV 1 ASSI { 713} (( segid " " and resid 121 and name HB )) ( segid " " and resid 193 and name HD1%) 3.900 1.900 1.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 1.215 ppm2 0.594 CV 1 ASSI { 715} (( segid " " and resid 121 and name HB )) ( segid " " and resid 121 and name HD1%) 3.000 1.100 1.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 1.214 ppm2 0.285 CV 1 ASSI { 720} (( segid " " and resid 119 and name HA )) (( segid " " and resid 121 and name H )) 4.600 2.600 1.400 peak 720 spectrum 1 weight 0.10000E+01 volume 0.58900E-03 ppm1 4.306 ppm2 7.948 CV 1 ASSI { 721} (( segid " " and resid 119 and name HB )) (( segid " " and resid 121 and name H )) 3.600 1.600 1.600 peak 721 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 1.960 ppm2 7.968 CV 1 ASSI { 722} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 121 and name H )) 4.700 2.700 1.300 peak 722 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 0.590 ppm2 7.949 CV 1 ASSI { 724} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 116 and name H )) 2.500 2.500 3.500 peak 724 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 0.594 ppm2 8.344 CV 1 ASSI { 725} (( segid " " and resid 119 and name HA )) (( segid " " and resid 118 and name H )) 4.300 2.300 1.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 4.323 ppm2 7.668 CV 1 ASSI { 727} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name H )) 2.700 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.27353E-02 ppm1 4.319 ppm2 7.456 CV 1 ASSI { 729} (( segid " " and resid 119 and name HB )) (( segid " " and resid 119 and name H )) 3.200 1.200 1.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 1.963 ppm2 7.456 CV 1 ASSI { 730} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 117 and name H )) 4.700 2.800 1.300 peak 730 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 0.596 ppm2 7.783 CV 1 ASSI { 731} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 118 and name H )) 4.200 2.200 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.90721E-03 ppm1 0.587 ppm2 7.676 CV 1 ASSI { 733} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name H )) 2.500 0.800 0.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.30601E-02 ppm1 0.590 ppm2 7.457 CV 1 ASSI { 734} (( segid " " and resid 119 and name HG12)) (( segid " " and resid 119 and name H )) 2.200 0.600 0.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.16452E-02 ppm1 1.274 ppm2 7.458 CV 1 OR { 734} (( segid " " and resid 119 and name HG13)) (( segid " " and resid 119 and name H )) ASSI { 736} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 120 and name H )) 4.100 2.100 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.21292E-02 ppm1 0.764 ppm2 7.549 CV 1 ASSI { 737} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name H )) 3.300 1.300 1.300 peak 737 spectrum 1 weight 0.10000E+01 volume 0.59375E-02 ppm1 0.766 ppm2 7.459 CV 1 ASSI { 738} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 118 and name H )) 4.400 2.500 1.600 peak 738 spectrum 1 weight 0.10000E+01 volume 0.19532E-02 ppm1 0.764 ppm2 7.675 CV 1 ASSI { 739} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 121 and name H )) 4.600 2.700 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 0.763 ppm2 7.948 CV 1 ASSI { 740} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 81 and name H )) 2.600 0.900 0.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.41096E-02 ppm1 0.730 ppm2 8.538 CV 1 ASSI { 741} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 116 and name H )) 3.600 1.600 1.600 peak 741 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 0.724 ppm2 8.347 CV 1 ASSI { 742} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 19 and name HE% ) 5.300 3.500 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 0.743 ppm2 7.106 CV 1 ASSI { 743} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HA )) 3.000 1.100 1.100 peak 743 spectrum 1 weight 0.10000E+01 volume 0.29619E-02 ppm1 0.591 ppm2 4.319 CV 1 ASSI { 744} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 118 and name HA )) 4.700 2.800 1.300 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 0.591 ppm2 4.089 CV 1 ASSI { 745} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 116 and name HA )) 3.400 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.29213E-02 ppm1 0.592 ppm2 3.747 CV 1 ASSI { 746} (( segid " " and resid 119 and name HG12)) (( segid " " and resid 116 and name HA )) 2.900 1.000 1.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 1.271 ppm2 3.747 CV 1 OR { 746} (( segid " " and resid 119 and name HG13)) (( segid " " and resid 116 and name HA )) ASSI { 747} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HA )) 2.200 0.600 0.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.11628E-01 ppm1 0.766 ppm2 4.319 CV 1 ASSI { 748} (( segid " " and resid 119 and name HG13)) (( segid " " and resid 119 and name HA )) 4.400 2.400 1.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 1.292 ppm2 4.319 CV 1 ASSI { 749} (( segid " " and resid 119 and name HA )) (( segid " " and resid 118 and name HA )) 3.600 1.600 1.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 4.321 ppm2 4.106 CV 1 ASSI { 750} (( segid " " and resid 119 and name HB )) (( segid " " and resid 119 and name HA )) 2.600 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.43939E-02 ppm1 1.963 ppm2 4.319 CV 1 ASSI { 751} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 116 and name HB2 )) 5.200 3.300 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 0.595 ppm2 2.979 CV 1 ASSI { 752} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 115 and name HA )) 2.600 2.600 3.400 peak 752 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 0.587 ppm2 3.371 CV 1 ASSI { 753} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 98 and name HE2 )) 4.300 2.300 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.23764E-02 ppm1 0.764 ppm2 2.874 CV 1 ASSI { 754} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 81 and name HB3 )) 3.300 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 0.765 ppm2 3.147 CV 1 ASSI { 758} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HG12)) 1.900 0.400 0.400 peak 758 spectrum 1 weight 0.10000E+01 volume 0.15236E-01 ppm1 0.592 ppm2 1.248 CV 1 OR { 758} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HG13)) ASSI { 759} (( segid " " and resid 119 and name HG13)) (( segid " " and resid 119 and name HB )) 2.600 0.800 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.18652E-02 ppm1 1.257 ppm2 1.959 CV 1 OR { 759} (( segid " " and resid 119 and name HG12)) (( segid " " and resid 119 and name HB )) ASSI { 762} (( segid " " and resid 119 and name HB )) ( segid " " and resid 119 and name HD1%) 3.100 1.200 1.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.45766E-02 ppm1 1.962 ppm2 0.589 CV 1 ASSI { 763} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 93 and name HD2%) 3.700 1.700 1.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 0.592 ppm2 0.962 CV 1 ASSI { 766} (( segid " " and resid 119 and name HG12)) ( segid " " and resid 119 and name HD1%) 2.300 0.700 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.46544E-02 ppm1 1.243 ppm2 0.595 CV 1 ASSI { 768} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 121 and name HD1%) 3.000 1.100 1.100 peak 768 spectrum 1 weight 0.10000E+01 volume 0.12444E-01 ppm1 0.592 ppm2 0.285 CV 1 ASSI { 769} (( segid " " and resid 119 and name HG13)) ( segid " " and resid 121 and name HD1%) 2.900 1.100 1.100 peak 769 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 1.291 ppm2 0.286 CV 1 ASSI { 770} (( segid " " and resid 119 and name HG12)) ( segid " " and resid 121 and name HD1%) 3.500 1.500 1.500 peak 770 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 1.248 ppm2 0.284 CV 1 ASSI { 771} ( segid " " and resid 119 and name HG2%) ( segid " " and resid 121 and name HD1%) 3.000 1.100 1.100 peak 771 spectrum 1 weight 0.10000E+01 volume 0.70715E-02 ppm1 0.770 ppm2 0.286 CV 1 ASSI { 772} (( segid " " and resid 117 and name HA )) (( segid " " and resid 121 and name H )) 3.500 1.500 1.500 peak 772 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 4.075 ppm2 7.952 CV 1 ASSI { 774} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name H )) 3.200 1.300 1.300 peak 774 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 4.072 ppm2 7.679 CV 1 ASSI { 775} (( segid " " and resid 117 and name HA )) (( segid " " and resid 120 and name H )) 3.400 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 4.077 ppm2 7.549 CV 1 ASSI { 776} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 117 and name H )) 2.200 0.600 0.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.13811E-01 ppm1 1.429 ppm2 7.773 CV 1 ASSI { 777} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 118 and name H )) 2.500 0.800 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.60290E-02 ppm1 1.430 ppm2 7.672 CV 1 ASSI { 778} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 120 and name H )) 4.100 2.100 1.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 1.428 ppm2 7.548 CV 1 ASSI { 780} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 116 and name H )) 4.500 2.500 1.500 peak 780 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 1.427 ppm2 8.352 CV 1 ASSI { 781} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 117 and name HA )) 2.100 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.21394E-01 ppm1 1.429 ppm2 4.074 CV 1 ASSI { 782} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 114 and name HA )) 2.700 0.900 0.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.56057E-02 ppm1 1.430 ppm2 3.834 CV 1 ASSI { 783} (( segid " " and resid 117 and name HA )) (( segid " " and resid 114 and name HA )) 4.900 3.000 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 4.073 ppm2 3.836 CV 1 ASSI { 784} (( segid " " and resid 117 and name HA )) (( segid " " and resid 120 and name HA2 )) 3.600 1.600 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 4.078 ppm2 3.682 CV 1 ASSI { 785} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 113 and name HA )) 2.600 2.600 3.400 peak 785 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 1.427 ppm2 3.579 CV 1 ASSI { 786} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 118 and name HD3 )) 3.500 1.500 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 1.427 ppm2 3.156 CV 1 OR { 786} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 118 and name HD2 )) ASSI { 787} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 116 and name HB3 )) 4.800 2.900 1.200 peak 787 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 1.430 ppm2 2.821 CV 1 ASSI { 788} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 118 and name HG2 )) 3.900 1.900 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 1.432 ppm2 1.623 CV 1 ASSI { 791} (( segid " " and resid 116 and name HA )) ( segid " " and resid 115 and name HG2%) 3.300 1.300 1.300 peak 791 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 3.756 ppm2 0.741 CV 1 ASSI { 796} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 121 and name HB )) 3.000 1.200 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 2.973 ppm2 1.219 CV 1 ASSI { 797} (( segid " " and resid 116 and name HB3 )) (( segid " " and resid 121 and name HB )) 4.300 2.300 1.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.61269E-03 ppm1 2.810 ppm2 1.216 CV 1 ASSI { 799} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB2 )) 3.100 1.200 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 3.746 ppm2 2.995 CV 1 ASSI { 800} (( segid " " and resid 116 and name HA )) (( segid " " and resid 116 and name HB3 )) 3.300 1.300 1.300 peak 800 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 3.750 ppm2 2.822 CV 1 ASSI { 801} (( segid " " and resid 116 and name HB2 )) (( segid " " and resid 116 and name HB3 )) 2.800 1.000 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 2.994 ppm2 2.805 CV 1 ASSI { 807} ( segid " " and resid 115 and name HD1%) ( segid " " and resid 111 and name HE% ) 3.500 1.600 1.600 peak 807 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 0.642 ppm2 1.950 CV 1 ASSI { 808} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HB )) 2.200 0.600 0.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.68379E-02 ppm1 0.642 ppm2 1.735 CV 1 ASSI { 809} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 112 and name HG )) 3.800 1.800 1.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.24576E-02 ppm1 0.643 ppm2 1.514 CV 1 ASSI { 810} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 90 and name HG13)) 2.100 0.500 0.500 peak 810 spectrum 1 weight 0.10000E+01 volume 0.33444E-02 ppm1 0.642 ppm2 1.188 CV 1 ASSI { 811} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 115 and name HB )) 2.200 0.600 0.600 peak 811 spectrum 1 weight 0.10000E+01 volume 0.67397E-02 ppm1 0.727 ppm2 1.742 CV 1 ASSI { 812} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HG13)) 2.200 0.600 0.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.76233E-02 ppm1 0.736 ppm2 1.658 CV 1 ASSI { 813} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 32 and name HG13)) 3.700 1.700 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.22206E-02 ppm1 0.737 ppm2 1.007 CV 1 OR { 813} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 32 and name HG12)) ASSI { 814} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 10 and name HG13)) 2.100 0.500 0.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.59543E-02 ppm1 0.753 ppm2 1.591 CV 1 ASSI { 815} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HG13)) 2.300 0.600 0.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12863E-01 ppm1 0.767 ppm2 1.259 CV 1 OR { 815} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HG12)) ASSI { 816} (( segid " " and resid 115 and name HA )) ( segid " " and resid 114 and name HG2%) 3.100 1.200 1.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 3.374 ppm2 1.163 CV 1 ASSI { 817} (( segid " " and resid 115 and name HA )) (( segid " " and resid 118 and name HB3 )) 4.700 2.700 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 3.372 ppm2 1.894 CV 1 ASSI { 819} (( segid " " and resid 115 and name HA )) (( segid " " and resid 118 and name HG2 )) 2.300 0.700 0.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.16452E-02 ppm1 3.374 ppm2 1.634 CV 1 ASSI { 822} (( segid " " and resid 115 and name HA )) ( segid " " and resid 100 and name HG2%) 2.400 0.700 0.700 peak 822 spectrum 1 weight 0.10000E+01 volume 0.50979E-02 ppm1 3.376 ppm2 0.652 CV 1 OR { 822} (( segid " " and resid 115 and name HA )) ( segid " " and resid 100 and name HD1%) ASSI { 823} (( segid " " and resid 115 and name HB )) (( segid " " and resid 112 and name HA )) 3.400 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 1.748 ppm2 3.834 CV 1 ASSI { 824} (( segid " " and resid 115 and name HB )) (( segid " " and resid 115 and name HA )) 3.300 1.400 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.737 ppm2 3.370 CV 1 ASSI { 825} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 112 and name HA )) 2.200 0.600 0.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.40114E-02 ppm1 0.643 ppm2 3.838 CV 1 ASSI { 826} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HA )) 3.600 1.700 1.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.25998E-02 ppm1 0.643 ppm2 3.376 CV 1 ASSI { 827} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 115 and name HA )) 2.200 0.600 0.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.49118E-02 ppm1 0.726 ppm2 3.372 CV 1 ASSI { 828} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 112 and name HA )) 4.200 2.200 1.800 peak 828 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 0.727 ppm2 3.839 CV 1 ASSI { 830} (( segid " " and resid 115 and name HA )) (( segid " " and resid 114 and name HA )) 3.700 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 3.369 ppm2 3.838 CV 1 ASSI { 831} (( segid " " and resid 115 and name HA )) (( segid " " and resid 114 and name HB )) 3.900 1.900 1.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 3.367 ppm2 4.235 CV 1 ASSI { 832} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 114 and name HB )) 4.000 2.000 2.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 0.645 ppm2 4.256 CV 1 ASSI { 833} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 114 and name H )) 4.300 2.300 1.700 peak 833 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 0.645 ppm2 7.468 CV 1 ASSI { 834} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name H )) 2.900 1.000 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 3.375 ppm2 8.532 CV 1 ASSI { 835} (( segid " " and resid 115 and name HA )) (( segid " " and resid 116 and name H )) 3.400 1.500 1.500 peak 835 spectrum 1 weight 0.10000E+01 volume 0.90721E-03 ppm1 3.382 ppm2 8.348 CV 1 ASSI { 837} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name H )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.31684E-02 ppm1 0.644 ppm2 8.534 CV 1 ASSI { 838} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 116 and name H )) 4.000 2.000 2.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 0.642 ppm2 8.350 CV 1 ASSI { 839} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 112 and name H )) 3.800 1.800 1.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 0.645 ppm2 8.772 CV 1 ASSI { 840} (( segid " " and resid 114 and name HA )) (( segid " " and resid 115 and name H )) 3.600 1.600 1.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.93090E-03 ppm1 3.837 ppm2 8.528 CV 1 ASSI { 844} (( segid " " and resid 114 and name HB )) (( segid " " and resid 117 and name H )) 4.500 2.600 1.500 peak 844 spectrum 1 weight 0.10000E+01 volume 0.59577E-03 ppm1 4.251 ppm2 7.767 CV 1 ASSI { 846} (( segid " " and resid 114 and name HB )) (( segid " " and resid 115 and name H )) 2.800 1.000 1.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.21022E-02 ppm1 4.241 ppm2 8.536 CV 1 ASSI { 847} (( segid " " and resid 114 and name HB )) (( segid " " and resid 116 and name H )) 4.800 2.800 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 4.239 ppm2 8.357 CV 1 ASSI { 848} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 117 and name H )) 3.800 1.800 1.800 peak 848 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 1.160 ppm2 7.776 CV 1 ASSI { 849} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 118 and name H )) 4.100 2.100 1.900 peak 849 spectrum 1 weight 0.10000E+01 volume 0.17704E-02 ppm1 1.154 ppm2 7.675 CV 1 ASSI { 850} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 114 and name H )) 3.500 1.500 1.500 peak 850 spectrum 1 weight 0.10000E+01 volume 0.46242E-02 ppm1 1.163 ppm2 7.466 CV 1 ASSI { 852} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 116 and name H )) 3.700 1.700 1.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 1.161 ppm2 8.339 CV 1 ASSI { 853} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB )) 3.100 1.200 1.200 peak 853 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 3.840 ppm2 4.247 CV 1 ASSI { 855} (( segid " " and resid 114 and name HB )) (( segid " " and resid 111 and name HA )) 3.100 1.200 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 4.246 ppm2 4.016 CV 1 ASSI { 856} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 114 and name HA )) 2.200 0.600 0.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.12701E-01 ppm1 1.164 ppm2 3.834 CV 1 ASSI { 857} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 111 and name HA )) 4.000 2.000 2.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.20480E-02 ppm1 1.158 ppm2 4.019 CV 1 ASSI { 861} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name HB2 )) 4.500 2.500 1.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 3.836 ppm2 1.899 CV 1 ASSI { 862} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name HB3 )) 3.800 1.800 1.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.67025E-03 ppm1 3.843 ppm2 1.751 CV 1 ASSI { 863} (( segid " " and resid 114 and name HB )) (( segid " " and resid 113 and name HB2 )) 4.900 3.000 1.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 4.239 ppm2 1.903 CV 1 ASSI { 865} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 118 and name HG3 )) 3.000 1.200 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.44479E-02 ppm1 1.161 ppm2 1.762 CV 1 ASSI { 866} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 118 and name HG2 )) 3.000 1.100 1.100 peak 866 spectrum 1 weight 0.10000E+01 volume 0.45327E-02 ppm1 1.163 ppm2 1.631 CV 1 ASSI { 867} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 117 and name HB% ) 3.200 1.300 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 1.163 ppm2 1.429 CV 1 ASSI { 872} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name H )) 3.100 1.200 1.200 peak 872 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 3.846 ppm2 8.534 CV 1 ASSI { 875} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name H )) 2.400 0.700 0.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.20378E-02 ppm1 1.640 ppm2 8.743 CV 1 ASSI { 876} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 129 and name H )) 3.300 1.400 1.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.31144E-02 ppm1 0.746 ppm2 8.875 CV 1 ASSI { 877} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name H )) 3.300 1.300 1.300 peak 877 spectrum 1 weight 0.10000E+01 volume 0.43533E-02 ppm1 0.749 ppm2 8.747 CV 1 ASSI { 878} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 74 and name H )) 3.700 1.700 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.23628E-02 ppm1 0.698 ppm2 8.917 CV 1 ASSI { 879} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name H )) 2.800 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.36695E-02 ppm1 0.695 ppm2 8.734 CV 1 ASSI { 880} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 5 and name H )) 3.100 1.200 1.200 peak 880 spectrum 1 weight 0.10000E+01 volume 0.46138E-02 ppm1 0.697 ppm2 8.648 CV 1 ASSI { 881} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 91 and name H )) 3.500 1.500 1.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 0.696 ppm2 9.213 CV 1 ASSI { 886} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 113 and name H )) 2.900 1.100 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 1.785 ppm2 7.637 CV 1 ASSI { 887} ( segid " " and resid 49 and name HD1%) ( segid " " and resid 19 and name HD% ) 4.300 2.300 1.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 0.748 ppm2 7.069 CV 1 ASSI { 888} ( segid " " and resid 49 and name HD1%) ( segid " " and resid 81 and name HD% ) 4.000 2.000 2.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 0.745 ppm2 6.821 CV 1 ASSI { 889} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 113 and name H )) 3.700 1.800 1.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.92075E-03 ppm1 1.635 ppm2 7.639 CV 1 ASSI { 890} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 191 and name HA )) 3.100 1.200 1.200 peak 890 spectrum 1 weight 0.10000E+01 volume 0.32126E-02 ppm1 0.701 ppm2 4.880 CV 1 ASSI { 891} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 53 and name HA )) 3.000 3.000 3.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.39538E-02 ppm1 0.747 ppm2 4.611 CV 1 ASSI { 894} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HA )) 2.900 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.13033E-02 ppm1 1.634 ppm2 3.833 CV 1 ASSI { 895} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HA )) 3.300 1.400 1.400 peak 895 spectrum 1 weight 0.10000E+01 volume 0.67330E-02 ppm1 0.682 ppm2 3.834 CV 1 ASSI { 896} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HA )) 2.100 0.500 0.500 peak 896 spectrum 1 weight 0.10000E+01 volume 0.79890E-02 ppm1 0.749 ppm2 3.842 CV 1 ASSI { 897} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 52 and name HB2 )) 4.100 2.100 1.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.18686E-02 ppm1 0.747 ppm2 3.670 CV 1 OR { 897} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 52 and name HB3 )) ASSI { 898} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 113 and name HA )) 4.400 2.400 1.600 peak 898 spectrum 1 weight 0.10000E+01 volume 0.14116E-02 ppm1 0.750 ppm2 3.597 CV 1 ASSI { 900} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 171 and name HA )) 3.200 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.92853E-02 ppm1 0.696 ppm2 4.111 CV 1 ASSI { 902} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 29 and name HB2 )) 3.100 1.200 1.200 peak 902 spectrum 1 weight 0.10000E+01 volume 0.16418E-02 ppm1 0.745 ppm2 2.949 CV 1 ASSI { 903} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 111 and name HG2 )) 3.700 1.700 1.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.20311E-02 ppm1 0.746 ppm2 2.614 CV 1 ASSI { 905} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 77 and name HB3 )) 2.900 1.000 1.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 0.700 ppm2 2.432 CV 1 ASSI { 906} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 81 and name HB2 )) 4.200 2.200 1.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 0.743 ppm2 2.421 CV 1 ASSI { 907} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 127 and name HB3 )) 2.500 0.800 0.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.34191E-02 ppm1 0.682 ppm2 2.801 CV 1 OR { 907} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 127 and name HB2 )) ASSI { 908} (( segid " " and resid 180 and name HA )) (( segid " " and resid 183 and name HG2 )) 4.500 2.600 1.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.75489E-03 ppm1 3.840 ppm2 2.246 CV 1 ASSI { 913} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 113 and name HB2 )) 4.900 3.100 1.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 1.638 ppm2 1.893 CV 1 ASSI { 914} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HB3 )) 1.800 0.400 0.400 peak 914 spectrum 1 weight 0.10000E+01 volume 0.37778E-02 ppm1 1.640 ppm2 1.773 CV 1 ASSI { 917} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HG )) 2.900 1.100 1.100 peak 917 spectrum 1 weight 0.10000E+01 volume 0.27792E-02 ppm1 1.648 ppm2 1.503 CV 1 ASSI { 918} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HB3 )) 2.200 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.88689E-02 ppm1 0.684 ppm2 1.768 CV 1 ASSI { 919} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 49 and name HG )) 1.900 0.400 0.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.13848E-01 ppm1 0.748 ppm2 1.770 CV 1 ASSI { 920} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HB2 )) 2.100 0.600 0.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.10125E-01 ppm1 0.748 ppm2 1.638 CV 1 ASSI { 925} (( segid " " and resid 112 and name HB2 )) ( segid " " and resid 112 and name HD2%) 2.800 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 1.645 ppm2 0.677 CV 1 ASSI { 927} (( segid " " and resid 112 and name HB3 )) ( segid " " and resid 112 and name HD1%) 3.500 1.600 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.23933E-02 ppm1 1.778 ppm2 0.745 CV 1 ASSI { 929} ( segid " " and resid 49 and name HD1%) ( segid " " and resid 68 and name HD2%) 2.600 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.37811E-02 ppm1 0.744 ppm2 0.294 CV 1 OR { 929} ( segid " " and resid 49 and name HD1%) ( segid " " and resid 68 and name HD1%) ASSI { 930} ( segid " " and resid 51 and name HD2%) ( segid " " and resid 62 and name HD2%) 3.100 1.200 1.200 peak 930 spectrum 1 weight 0.10000E+01 volume 0.69599E-02 ppm1 0.729 ppm2 -0.161 CV 1 ASSI { 931} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 108 and name HG1%) 2.800 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.44244E-02 ppm1 0.754 ppm2 0.497 CV 1 ASSI { 932} ( segid " " and resid 112 and name HD2%) ( segid " " and resid 108 and name HG1%) 3.200 1.300 1.300 peak 932 spectrum 1 weight 0.10000E+01 volume 0.83578E-02 ppm1 0.688 ppm2 0.483 CV 1 ASSI { 935} (( segid " " and resid 109 and name HB )) (( segid " " and resid 109 and name H )) 2.700 0.900 0.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 4.011 ppm2 8.765 CV 1 ASSI { 936} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 111 and name H )) 4.100 2.100 1.900 peak 936 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 1.205 ppm2 8.408 CV 1 ASSI { 938} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 113 and name H )) 3.800 1.800 1.800 peak 938 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 1.205 ppm2 7.645 CV 1 ASSI { 939} (( segid " " and resid 109 and name HB )) (( segid " " and resid 110 and name H )) 2.700 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 4.015 ppm2 7.010 CV 1 ASSI { 940} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 110 and name H )) 3.000 1.100 1.100 peak 940 spectrum 1 weight 0.10000E+01 volume 0.63606E-02 ppm1 1.205 ppm2 7.009 CV 1 ASSI { 941} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 178 and name HA )) 4.100 2.100 1.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.24068E-02 ppm1 1.175 ppm2 4.870 CV 1 ASSI { 942} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HB )) 2.200 0.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.97016E-02 ppm1 1.175 ppm2 4.714 CV 1 ASSI { 943} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name HA )) 3.000 1.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.63877E-02 ppm1 1.176 ppm2 4.583 CV 1 ASSI { 945} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HB )) 2.100 0.600 0.600 peak 945 spectrum 1 weight 0.10000E+01 volume 0.14607E-01 ppm1 1.206 ppm2 4.011 CV 1 ASSI { 946} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name HA )) 2.200 0.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.10142E-01 ppm1 1.205 ppm2 3.777 CV 1 ASSI { 948} (( segid " " and resid 109 and name HB )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 948 spectrum 1 weight 0.10000E+01 volume 0.21834E-02 ppm1 4.014 ppm2 3.778 CV 1 ASSI { 949} (( segid " " and resid 109 and name HB )) (( segid " " and resid 176 and name HB3 )) 4.500 2.600 1.500 peak 949 spectrum 1 weight 0.10000E+01 volume 0.64316E-03 ppm1 4.020 ppm2 3.542 CV 1 ASSI { 950} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 176 and name HB3 )) 4.300 2.300 1.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.11746E-02 ppm1 1.206 ppm2 3.520 CV 1 ASSI { 952} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HG2 )) 3.500 1.500 1.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 1.205 ppm2 2.606 CV 1 ASSI { 954} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HB3 )) 2.600 0.900 0.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.29180E-02 ppm1 1.205 ppm2 2.302 CV 1 ASSI { 955} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HB3 )) 3.700 1.700 1.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 3.777 ppm2 1.774 CV 1 ASSI { 956} (( segid " " and resid 109 and name HA )) (( segid " " and resid 112 and name HB2 )) 3.200 1.300 1.300 peak 956 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 3.779 ppm2 1.632 CV 1 ASSI { 957} ( segid " " and resid 109 and name HG2%) ( segid " " and resid 113 and name HE% ) 3.300 1.400 1.400 peak 957 spectrum 1 weight 0.10000E+01 volume 0.31821E-02 ppm1 1.201 ppm2 1.768 CV 1 ASSI { 958} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 1.196 ppm2 1.678 CV 1 ASSI { 961} (( segid " " and resid 109 and name HA )) ( segid " " and resid 112 and name HD2%) 4.000 2.000 2.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.13371E-02 ppm1 3.779 ppm2 0.676 CV 1 ASSI { 964} ( segid " " and resid 109 and name HG2%) ( segid " " and resid 112 and name HD2%) 3.700 1.700 1.700 peak 964 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 1.201 ppm2 0.691 CV 1 ASSI { 967} (( segid " " and resid 108 and name HA )) ( segid " " and resid 180 and name HD1%) 4.500 2.500 1.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 3.451 ppm2 0.734 CV 1 ASSI { 968} (( segid " " and resid 108 and name HA )) ( segid " " and resid 174 and name HD1%) 4.000 2.000 2.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 3.456 ppm2 0.655 CV 1 ASSI { 970} (( segid " " and resid 108 and name HA )) ( segid " " and resid 107 and name HG2%) 5.000 3.200 1.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 3.454 ppm2 1.205 CV 1 ASSI { 971} (( segid " " and resid 108 and name HA )) (( segid " " and resid 106 and name HD3 )) 4.100 2.100 1.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.67025E-03 ppm1 3.458 ppm2 1.509 CV 1 ASSI { 972} (( segid " " and resid 108 and name HA )) ( segid " " and resid 111 and name HE% ) 2.800 1.000 1.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 3.458 ppm2 1.999 CV 1 OR { 972} (( segid " " and resid 108 and name HA )) (( segid " " and resid 111 and name HB3 )) ASSI { 974} (( segid " " and resid 108 and name HA )) (( segid " " and resid 111 and name HB2 )) 3.300 1.400 1.400 peak 974 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 3.454 ppm2 1.724 CV 1 ASSI { 978} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HB2 )) 2.100 0.600 0.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.97187E-02 ppm1 2.302 ppm2 1.904 CV 1 ASSI { 979} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HG2 )) 1.800 0.400 0.400 peak 979 spectrum 1 weight 0.10000E+01 volume 0.14106E-01 ppm1 2.300 ppm2 1.746 CV 1 OR { 979} (( segid " " and resid 113 and name HG3 )) ( segid " " and resid 113 and name HE% ) ASSI { 980} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB )) 3.100 1.200 1.200 peak 980 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 3.450 ppm2 2.296 CV 1 ASSI { 982} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name HA )) 2.800 1.000 1.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.26234E-02 ppm1 2.301 ppm2 3.594 CV 1 ASSI { 983} (( segid " " and resid 108 and name HA )) (( segid " " and resid 107 and name HA )) 3.900 1.900 1.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 3.458 ppm2 3.794 CV 1 ASSI { 984} (( segid " " and resid 108 and name HA )) (( segid " " and resid 111 and name HA )) 4.800 2.900 1.200 peak 984 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 3.457 ppm2 4.006 CV 1 ASSI { 985} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 110 and name HA )) 4.100 2.100 1.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.18618E-02 ppm1 2.305 ppm2 4.376 CV 1 ASSI { 988} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name H )) 3.000 1.100 1.100 peak 988 spectrum 1 weight 0.10000E+01 volume 0.96476E-03 ppm1 3.457 ppm2 7.902 CV 1 ASSI { 989} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 113 and name H )) 3.600 1.600 1.600 peak 989 spectrum 1 weight 0.10000E+01 volume 0.36729E-02 ppm1 2.301 ppm2 7.639 CV 1 ASSI { 992} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 180 and name H )) 4.100 2.100 1.900 peak 992 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 0.932 ppm2 8.964 CV 1 ASSI { 994} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 175 and name H )) 4.100 2.100 1.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.89705E-03 ppm1 0.935 ppm2 9.107 CV 1 ASSI { 995} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name H )) 2.200 0.600 0.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.47663E-02 ppm1 0.931 ppm2 7.902 CV 1 ASSI { 996} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 183 and name HE22)) 2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.24407E-02 ppm1 0.932 ppm2 7.282 CV 1 ASSI { 997} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 178 and name H )) 3.300 1.400 1.400 peak 997 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 0.929 ppm2 7.020 CV 1 ASSI { 998} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 176 and name HD2 )) 4.500 2.500 1.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.90044E-03 ppm1 0.935 ppm2 6.917 CV 1 ASSI { 999} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 183 and name HE21)) 3.400 1.500 1.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.20717E-02 ppm1 0.931 ppm2 6.498 CV 1 ASSI { 1000} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 92 and name HA )) 3.500 1.600 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.20717E-02 ppm1 0.931 ppm2 4.584 CV 1 ASSI { 1001} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 107 and name HB )) 4.200 2.200 1.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.18787E-02 ppm1 0.932 ppm2 4.426 CV 1 ASSI { 1002} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 176 and name HA )) 2.700 0.900 0.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.37744E-02 ppm1 0.931 ppm2 4.255 CV 1 ASSI { 1003} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HA )) 2.300 0.700 0.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.61879E-02 ppm1 0.931 ppm2 3.456 CV 1 ASSI { 1007} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HB )) 2.300 0.600 0.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.48169E-02 ppm1 0.931 ppm2 2.311 CV 1 ASSI { 1010} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 174 and name HD1%) 2.300 0.700 0.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.10152E-01 ppm1 0.930 ppm2 0.665 CV 1 ASSI { 1011} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 180 and name HD2%) 2.200 0.600 0.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.96915E-02 ppm1 0.931 ppm2 0.604 CV 1 ASSI { 1012} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 108 and name HG1%) 2.100 0.500 0.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.14238E-01 ppm1 0.931 ppm2 0.494 CV 1 ASSI { 1013} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 179 and name H )) 3.500 1.600 1.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.14590E-02 ppm1 1.206 ppm2 9.375 CV 1 ASSI { 1015} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 107 and name H )) 2.600 0.800 0.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.69971E-02 ppm1 1.207 ppm2 8.522 CV 1 ASSI { 1017} (( segid " " and resid 107 and name HA )) (( segid " " and resid 109 and name H )) 4.800 2.800 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 3.781 ppm2 8.767 CV 1 ASSI { 1018} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 108 and name H )) 3.600 1.600 1.600 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.39742E-02 ppm1 1.208 ppm2 7.904 CV 1 ASSI { 1019} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name H )) 3.000 1.200 1.200 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 3.794 ppm2 7.908 CV 1 ASSI { 1020} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 178 and name H )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 1.207 ppm2 7.015 CV 1 ASSI { 1021} (( segid " " and resid 107 and name HA )) (( segid " " and resid 179 and name HB )) 4.100 2.100 1.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 3.788 ppm2 4.711 CV 1 ASSI { 1022} (( segid " " and resid 107 and name HA )) (( segid " " and resid 179 and name HA )) 3.100 1.200 1.200 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 3.791 ppm2 4.582 CV 1 ASSI { 1023} (( segid " " and resid 107 and name HA )) (( segid " " and resid 107 and name HB )) 3.000 1.100 1.100 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 3.788 ppm2 4.429 CV 1 ASSI { 1024} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 178 and name HA )) 3.100 1.200 1.200 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.25895E-02 ppm1 1.208 ppm2 4.877 CV 1 ASSI { 1025} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 179 and name HA )) 3.100 1.200 1.200 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 1.210 ppm2 4.565 CV 1 ASSI { 1026} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 107 and name HB )) 2.200 0.600 0.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.11371E-01 ppm1 1.208 ppm2 4.430 CV 1 ASSI { 1027} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 109 and name HB )) 4.400 2.400 1.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 1.213 ppm2 4.027 CV 1 ASSI { 1028} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 107 and name HA )) 2.500 0.800 0.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.67397E-02 ppm1 1.208 ppm2 3.789 CV 1 ASSI { 1030} ( segid " " and resid 107 and name HG2%) ( segid " " and resid 111 and name HE% ) 4.500 2.500 1.500 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 1.207 ppm2 1.950 CV 1 ASSI { 1031} ( segid " " and resid 107 and name HG2%) ( segid " " and resid 108 and name HG2%) 4.800 2.800 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 1.211 ppm2 0.928 CV 1 ASSI { 1032} (( segid " " and resid 107 and name HA )) ( segid " " and resid 108 and name HG2%) 4.200 2.200 1.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 3.787 ppm2 0.934 CV 1 ASSI { 1035} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name H )) 2.800 1.000 1.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.17704E-02 ppm1 4.664 ppm2 8.801 CV 1 ASSI { 1036} (( segid " " and resid 102 and name HA )) (( segid " " and resid 103 and name H )) 2.300 0.700 0.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.41026E-02 ppm1 4.654 ppm2 8.059 CV 1 ASSI { 1038} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 88 and name H )) 3.600 1.600 1.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 0.732 ppm2 9.018 CV 1 ASSI { 1039} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 102 and name H )) 2.200 0.600 0.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.51521E-02 ppm1 0.730 ppm2 8.821 CV 1 ASSI { 1040} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 86 and name H )) 3.400 1.400 1.400 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.18483E-02 ppm1 0.729 ppm2 9.312 CV 1 ASSI { 1041} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 101 and name H )) 2.600 2.600 3.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.90721E-03 ppm1 0.739 ppm2 8.373 CV 1 ASSI { 1042} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 103 and name H )) 3.800 1.800 1.800 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.23053E-02 ppm1 0.731 ppm2 8.058 CV 1 ASSI { 1045} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.41703E-02 ppm1 0.730 ppm2 4.649 CV 1 ASSI { 1046} (( segid " " and resid 102 and name HB )) (( segid " " and resid 102 and name HA )) 3.100 1.200 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 1.967 ppm2 4.645 CV 1 ASSI { 1048} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 111 and name HG2 )) 3.400 1.400 1.400 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 0.729 ppm2 2.602 CV 1 ASSI { 1049} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 86 and name HD2 )) 3.600 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.15233E-02 ppm1 0.729 ppm2 2.965 CV 1 ASSI { 1050} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 86 and name HD3 )) 3.000 1.100 1.100 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 0.732 ppm2 2.909 CV 1 ASSI { 1051} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 111 and name HG3 )) 2.800 1.000 1.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 0.732 ppm2 2.239 CV 1 ASSI { 1052} (( segid " " and resid 102 and name HB )) (( segid " " and resid 111 and name HG2 )) 4.100 2.100 1.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 1.980 ppm2 2.585 CV 1 ASSI { 1053} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 102 and name HB )) 2.100 0.600 0.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.10697E-01 ppm1 0.730 ppm2 1.951 CV 1 ASSI { 1054} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 88 and name HB2 )) 2.300 0.700 0.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.40553E-02 ppm1 0.730 ppm2 1.849 CV 1 ASSI { 1056} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 86 and name HG3 )) 2.100 2.100 3.900 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.28097E-02 ppm1 0.729 ppm2 1.490 CV 1 OR { 1056} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 86 and name HG2 )) ASSI { 1057} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 88 and name HG )) 3.500 1.500 1.500 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.22274E-02 ppm1 0.731 ppm2 1.294 CV 1 ASSI { 1058} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 88 and name HB3 )) 3.100 1.200 1.200 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.34935E-02 ppm1 0.730 ppm2 1.090 CV 1 ASSI { 1059} (( segid " " and resid 102 and name HB )) ( segid " " and resid 102 and name HG1%) 2.400 0.700 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.54501E-02 ppm1 1.961 ppm2 0.736 CV 1 OR { 1059} (( segid " " and resid 102 and name HB )) ( segid " " and resid 102 and name HG2%) ASSI { 1060} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HG1%) 2.300 0.700 0.700 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.72069E-02 ppm1 4.659 ppm2 0.739 CV 1 OR { 1060} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HG2%) ASSI { 1061} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name HG12)) 2.500 0.800 0.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.30534E-02 ppm1 1.584 ppm2 1.249 CV 1 ASSI { 1062} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name HG13)) 2.200 0.600 0.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.26676E-02 ppm1 1.586 ppm2 1.071 CV 1 ASSI { 1063} (( segid " " and resid 100 and name HB )) ( segid " " and resid 100 and name HG2%) 2.200 0.600 0.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.72610E-02 ppm1 1.585 ppm2 0.675 CV 1 OR { 1063} (( segid " " and resid 100 and name HB )) ( segid " " and resid 100 and name HD1%) ASSI { 1067} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 100 and name HG12)) 1.600 0.300 0.600 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.89638E-02 ppm1 1.068 ppm2 1.249 CV 1 ASSI { 1068} (( segid " " and resid -4 and name HG12)) ( segid " " and resid -4 and name HD1%) 2.700 0.900 0.900 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.50371E-02 ppm1 1.073 ppm2 0.780 CV 1 OR { 1068} (( segid " " and resid -4 and name HG12)) ( segid " " and resid -4 and name HG2%) ASSI { 1069} (( segid " " and resid 100 and name HG13)) ( segid " " and resid 100 and name HD1%) 2.200 0.600 0.600 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.67769E-02 ppm1 1.071 ppm2 0.645 CV 1 OR { 1069} (( segid " " and resid 100 and name HG13)) ( segid " " and resid 100 and name HG2%) ASSI { 1070} (( segid " " and resid 100 and name HG12)) ( segid " " and resid 100 and name HD1%) 2.200 0.600 0.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.92142E-02 ppm1 1.252 ppm2 0.642 CV 1 OR { 1070} (( segid " " and resid 100 and name HG12)) ( segid " " and resid 100 and name HG2%) ASSI { 1071} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HG12)) 2.700 0.900 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.97626E-02 ppm1 0.686 ppm2 1.251 CV 1 ASSI { 1072} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 114 and name HG2%) 2.600 0.800 0.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.98742E-02 ppm1 0.686 ppm2 1.163 CV 1 ASSI { 1073} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HG13)) 2.300 0.600 0.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.87979E-02 ppm1 0.686 ppm2 1.071 CV 1 ASSI { 1076} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HB )) 1.800 0.400 0.400 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.15148E-01 ppm1 0.686 ppm2 1.588 CV 1 ASSI { 1077} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HB )) 2.200 0.600 0.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.81311E-02 ppm1 0.660 ppm2 1.873 CV 1 ASSI { 1078} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 118 and name HG3 )) 2.900 1.000 1.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.70444E-02 ppm1 0.636 ppm2 1.762 CV 1 ASSI { 1080} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 118 and name HG3 )) 2.500 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.40654E-02 ppm1 0.687 ppm2 1.762 CV 1 ASSI { 1081} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 118 and name HB3 )) 4.900 3.000 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 1.244 ppm2 1.904 CV 1 OR { 1081} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 118 and name HB2 )) ASSI { 1082} (( segid " " and resid 100 and name HB )) (( segid " " and resid 118 and name HB3 )) 4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 1.577 ppm2 1.894 CV 1 ASSI { 1083} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 98 and name HE3 )) 4.400 2.500 1.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 0.635 ppm2 2.875 CV 1 OR { 1083} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 98 and name HE2 )) ASSI { 1084} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 101 and name HG2 )) 4.300 2.300 1.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 0.636 ppm2 2.457 CV 1 ASSI { 1085} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 115 and name HA )) 2.900 1.100 1.100 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.54059E-02 ppm1 0.635 ppm2 3.373 CV 1 ASSI { 1086} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 118 and name HD2 )) 3.000 1.100 1.100 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.32498E-02 ppm1 0.636 ppm2 3.156 CV 1 OR { 1086} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 118 and name HD3 )) ASSI { 1087} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 115 and name HA )) 2.300 0.700 0.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.54840E-02 ppm1 0.686 ppm2 3.374 CV 1 ASSI { 1088} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 118 and name HD2 )) 4.000 2.000 2.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.29586E-02 ppm1 0.686 ppm2 3.154 CV 1 ASSI { 1089} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.84865E-02 ppm1 0.686 ppm2 4.272 CV 1 ASSI { 1093} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 118 and name HA )) 4.800 2.900 1.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 0.636 ppm2 4.097 CV 1 ASSI { 1094} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 114 and name HA )) 4.400 2.400 1.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.18957E-02 ppm1 0.635 ppm2 3.839 CV 1 ASSI { 1096} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 101 and name HA )) 3.500 1.600 1.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 0.689 ppm2 4.883 CV 1 ASSI { 1097} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HA )) 2.300 0.700 0.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.50573E-02 ppm1 0.633 ppm2 5.052 CV 1 ASSI { 1099} (( segid " " and resid 100 and name HB )) (( segid " " and resid 99 and name HA )) 4.200 2.300 1.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.73796E-03 ppm1 1.579 ppm2 4.927 CV 1 ASSI { 1100} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 193 and name H )) 4.200 2.200 1.800 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 0.633 ppm2 7.895 CV 1 ASSI { 1101} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 118 and name H )) 4.800 2.900 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.18821E-02 ppm1 0.637 ppm2 7.672 CV 1 ASSI { 1102} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 115 and name H )) 3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.21292E-02 ppm1 0.635 ppm2 8.529 CV 1 ASSI { 1103} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 191 and name H )) 3.300 1.400 1.400 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.36762E-02 ppm1 0.633 ppm2 8.430 CV 1 ASSI { 1104} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 101 and name H )) 2.500 0.800 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.32904E-02 ppm1 0.635 ppm2 8.333 CV 1 ASSI { 1105} (( segid " " and resid 100 and name HB )) (( segid " " and resid 101 and name H )) 4.000 2.000 2.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 1.585 ppm2 8.325 CV 1 ASSI { 1106} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 101 and name H )) 3.000 1.100 1.100 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 1.255 ppm2 8.319 CV 1 ASSI { 1107} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 115 and name H )) 4.200 2.200 1.800 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 0.685 ppm2 8.533 CV 1 ASSI { 1108} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 101 and name H )) 2.900 1.100 1.100 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.70545E-02 ppm1 0.686 ppm2 8.326 CV 1 ASSI { 1109} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 100 and name H )) 2.600 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 0.686 ppm2 9.170 CV 1 ASSI { 1110} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 88 and name H )) 3.800 1.800 1.800 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 0.686 ppm2 9.022 CV 1 ASSI { 1111} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 102 and name H )) 3.800 1.800 1.800 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 0.686 ppm2 8.812 CV 1 ASSI { 1112} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 100 and name H )) 4.100 2.100 1.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 1.251 ppm2 9.167 CV 1 ASSI { 1113} (( segid " " and resid 100 and name HB )) (( segid " " and resid 100 and name H )) 2.800 0.900 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 1.583 ppm2 9.175 CV 1 ASSI { 1114} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 91 and name H )) 3.500 1.500 1.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.47053E-02 ppm1 0.634 ppm2 9.184 CV 1 ASSI { 1115} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 192 and name H )) 4.100 2.100 1.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 0.634 ppm2 9.037 CV 1 ASSI { 1116} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name H )) 3.200 1.300 1.300 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.34155E-02 ppm1 0.635 ppm2 8.806 CV 1 ASSI { 1121} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 88 and name H )) 2.900 1.100 1.100 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.32056E-02 ppm1 0.907 ppm2 9.021 CV 1 ASSI { 1129} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 100 and name HA )) 3.400 1.500 1.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 0.907 ppm2 4.281 CV 1 ASSI { 1130} (( segid " " and resid 99 and name HA )) (( segid " " and resid 89 and name HA )) 2.900 1.000 1.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 4.932 ppm2 4.629 CV 1 ASSI { 1131} (( segid " " and resid 99 and name HB )) (( segid " " and resid 98 and name HA )) 4.300 2.300 1.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.14217E-02 ppm1 3.832 ppm2 4.609 CV 1 ASSI { 1132} (( segid " " and resid 16 and name HB )) (( segid " " and resid 16 and name HA )) 3.100 1.200 1.200 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 3.867 ppm2 4.953 CV 1 ASSI { 1133} (( segid " " and resid 99 and name HB )) (( segid " " and resid 99 and name HA )) 3.300 1.400 1.400 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 3.837 ppm2 4.931 CV 1 ASSI { 1134} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HB )) 2.200 0.600 0.600 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.12880E-01 ppm1 0.908 ppm2 3.831 CV 1 ASSI { 1136} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 87 and name HB3 )) 2.400 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.78264E-02 ppm1 0.905 ppm2 1.901 CV 1 ASSI { 1137} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 87 and name HB2 )) 2.500 0.800 0.800 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.74674E-02 ppm1 0.906 ppm2 1.668 CV 1 ASSI { 1138} (( segid " " and resid 99 and name HB )) (( segid " " and resid 87 and name HB2 )) 4.900 3.000 1.100 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.78874E-03 ppm1 3.836 ppm2 1.653 CV 1 ASSI { 1139} (( segid " " and resid 99 and name HA )) (( segid " " and resid 98 and name HG3 )) 3.300 1.400 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.75150E-03 ppm1 4.922 ppm2 1.331 CV 1 ASSI { 1140} (( segid " " and resid 16 and name HA )) (( segid " " and resid 7 and name HB3 )) 3.900 1.900 1.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.91059E-03 ppm1 4.946 ppm2 1.323 CV 1 ASSI { 1141} (( segid " " and resid 99 and name HA )) ( segid " " and resid 99 and name HG2%) 2.700 0.900 0.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.37540E-02 ppm1 4.934 ppm2 0.909 CV 1 ASSI { 1142} (( segid " " and resid 99 and name HA )) ( segid " " and resid 100 and name HG2%) 4.200 2.200 1.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 4.936 ppm2 0.711 CV 1 ASSI { 1143} (( segid " " and resid 97 and name HA )) ( segid " " and resid 97 and name HG1%) 3.200 1.300 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 4.873 ppm2 0.818 CV 1 ASSI { 1144} (( segid " " and resid 97 and name HA )) ( segid " " and resid 97 and name HG2%) 2.800 1.000 1.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.27521E-02 ppm1 4.867 ppm2 0.690 CV 1 ASSI { 1146} (( segid " " and resid 97 and name HB )) ( segid " " and resid 97 and name HG2%) 2.300 0.600 0.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.93362E-02 ppm1 1.810 ppm2 0.692 CV 1 ASSI { 1149} ( segid " " and resid 97 and name HG1%) ( segid " " and resid 97 and name HG2%) 2.100 0.500 0.500 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.26745E-01 ppm1 0.820 ppm2 0.692 CV 1 ASSI { 1150} ( segid " " and resid 97 and name HG1%) ( segid " " and resid 96 and name HG2%) 4.000 2.000 2.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 0.821 ppm2 1.075 CV 1 ASSI { 1151} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 97 and name HB )) 2.100 0.600 0.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.15602E-01 ppm1 0.820 ppm2 1.808 CV 1 ASSI { 1152} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 91 and name HG3 )) 3.000 1.100 1.100 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.77011E-02 ppm1 0.820 ppm2 1.365 CV 1 ASSI { 1154} (( segid " " and resid 97 and name HA )) (( segid " " and resid 90 and name HB )) 4.100 2.100 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 4.866 ppm2 1.649 CV 1 ASSI { 1155} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 91 and name HD3 )) 4.200 2.200 1.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.16790E-02 ppm1 0.822 ppm2 3.172 CV 1 ASSI { 1158} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 96 and name HB )) 4.000 2.000 2.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.15944E-02 ppm1 0.820 ppm2 4.064 CV 1 ASSI { 1162} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 98 and name HA )) 3.400 1.400 1.400 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.13066E-02 ppm1 0.822 ppm2 4.582 CV 1 ASSI { 1163} (( segid " " and resid 97 and name HB )) (( segid " " and resid 97 and name HA )) 3.000 1.100 1.100 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 1.813 ppm2 4.867 CV 1 ASSI { 1164} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 91 and name HH22)) 3.700 1.700 1.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 0.821 ppm2 6.817 CV 1 ASSI { 1165} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 91 and name HE )) 4.000 2.000 2.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 0.818 ppm2 7.985 CV 1 ASSI { 1167} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 97 and name H )) 2.600 0.900 0.900 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.71493E-02 ppm1 0.820 ppm2 8.400 CV 1 ASSI { 1168} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 98 and name H )) 3.000 1.100 1.100 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.40047E-02 ppm1 0.821 ppm2 9.135 CV 1 ASSI { 1169} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 92 and name H )) 4.400 2.400 1.600 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 0.820 ppm2 8.935 CV 1 ASSI { 1170} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 90 and name H )) 3.800 1.800 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 0.819 ppm2 8.803 CV 1 ASSI { 1171} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name H )) 2.400 0.700 0.700 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.32532E-02 ppm1 4.870 ppm2 9.138 CV 1 ASSI { 1172} (( segid " " and resid 97 and name HA )) (( segid " " and resid 92 and name H )) 3.700 1.700 1.700 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.91059E-03 ppm1 4.871 ppm2 8.935 CV 1 ASSI { 1173} (( segid " " and resid 97 and name HA )) (( segid " " and resid 90 and name H )) 4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 4.878 ppm2 8.816 CV 1 ASSI { 1174} (( segid " " and resid 97 and name HB )) (( segid " " and resid 98 and name H )) 4.100 2.100 1.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 1.817 ppm2 9.141 CV 1 ASSI { 1175} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name H )) 2.300 0.700 0.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.73287E-02 ppm1 4.174 ppm2 8.396 CV 1 ASSI { 1179} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HA )) 4.500 2.500 1.500 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.59577E-03 ppm1 4.179 ppm2 4.879 CV 1 ASSI { 1181} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB )) 2.800 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.44818E-02 ppm1 4.173 ppm2 4.069 CV 1 ASSI { 1182} (( segid " " and resid 96 and name HA )) (( segid " " and resid 97 and name HB )) 4.100 2.100 1.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 4.171 ppm2 1.809 CV 1 ASSI { 1184} (( segid " " and resid 96 and name HA )) ( segid " " and resid 97 and name HG1%) 4.400 2.400 1.600 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.17941E-02 ppm1 4.174 ppm2 0.822 CV 1 ASSI { 1185} (( segid " " and resid 96 and name HA )) ( segid " " and resid 97 and name HG2%) 4.500 2.500 1.500 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 4.170 ppm2 0.693 CV 1 ASSI { 1189} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name H )) 2.700 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.44921E-02 ppm1 4.367 ppm2 8.068 CV 1 ASSI { 1192} (( segid " " and resid 95 and name HA3 )) (( segid " " and resid 91 and name HD3 )) 4.200 2.200 1.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 3.487 ppm2 3.169 CV 1 ASSI { 1194} (( segid " " and resid 95 and name HA3 )) (( segid " " and resid 91 and name HG2 )) 4.700 2.800 1.300 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 3.497 ppm2 1.642 CV 1 ASSI { 1201} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 126 and name H )) 3.500 1.500 1.500 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 2.490 ppm2 7.676 CV 1 ASSI { 1202} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 125 and name HA )) 2.600 0.800 0.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.81277E-02 ppm1 2.485 ppm2 4.439 CV 1 ASSI { 1204} (( segid " " and resid 51 and name HA )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 4.418 ppm2 4.883 CV 1 ASSI { 1205} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB3 )) 2.700 0.900 0.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.49795E-02 ppm1 4.439 ppm2 3.038 CV 1 ASSI { 1206} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HB3 )) 2.100 0.600 0.600 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.53281E-02 ppm1 2.534 ppm2 3.037 CV 1 ASSI { 1208} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) 2.900 1.100 1.100 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.45732E-02 ppm1 4.438 ppm2 2.535 CV 1 ASSI { 1209} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB3 )) 3.000 1.100 1.100 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 4.397 ppm2 1.524 CV 1 ASSI { 1210} (( segid " " and resid 66 and name HA )) ( segid " " and resid 67 and name HB% ) 3.800 1.800 1.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.18212E-02 ppm1 4.392 ppm2 1.392 CV 1 ASSI { 1211} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HG2 )) 3.000 1.100 1.100 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.30025E-02 ppm1 4.398 ppm2 0.993 CV 1 ASSI { 1215} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 93 and name HD2%) 2.400 0.700 0.700 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.71121E-02 ppm1 1.737 ppm2 0.955 CV 1 OR { 1215} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 93 and name HD1%) ASSI { 1216} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD1%) 2.800 1.000 1.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.74574E-02 ppm1 1.618 ppm2 0.956 CV 1 OR { 1216} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD2%) ASSI { 1217} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 193 and name HD2%) 2.700 0.900 0.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.39843E-02 ppm1 0.951 ppm2 0.713 CV 1 ASSI { 1218} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 193 and name HD1%) 2.900 1.100 1.100 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.56328E-02 ppm1 0.949 ppm2 0.569 CV 1 ASSI { 1219} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 121 and name HD1%) 3.700 1.800 1.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.21766E-02 ppm1 0.948 ppm2 0.279 CV 1 ASSI { 1222} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 62 and name HD1%) 2.900 1.100 1.100 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.57277E-02 ppm1 0.976 ppm2 0.399 CV 1 ASSI { 1224} (( segid " " and resid 93 and name HG )) ( segid " " and resid 193 and name HD1%) 4.200 2.300 1.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 1.750 ppm2 0.576 CV 1 ASSI { 1225} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 2.800 1.000 1.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.59308E-02 ppm1 4.072 ppm2 1.740 CV 1 ASSI { 1227} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HB3 )) 1.800 0.400 0.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.73457E-02 ppm1 1.738 ppm2 1.618 CV 1 ASSI { 1228} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HB2 )) 1.800 0.400 0.400 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.98541E-02 ppm1 1.618 ppm2 1.739 CV 1 OR { 1228} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HG )) ASSI { 1229} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HG )) 1.900 0.400 0.400 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.24501E-01 ppm1 0.951 ppm2 1.742 CV 1 ASSI { 1230} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HB3 )) 2.400 0.700 0.700 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.11746E-01 ppm1 0.950 ppm2 1.617 CV 1 ASSI { 1231} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 195 and name HB3 )) 2.900 1.100 1.100 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.37507E-02 ppm1 0.949 ppm2 1.518 CV 1 ASSI { 1232} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 193 and name HG )) 3.200 1.200 1.200 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.42618E-02 ppm1 0.949 ppm2 1.404 CV 1 ASSI { 1234} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HG )) 1.800 0.400 0.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.29642E-01 ppm1 0.962 ppm2 1.740 CV 1 OR { 1234} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HB2 )) ASSI { 1235} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HB3 )) 2.900 1.100 1.100 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.13798E-01 ppm1 0.961 ppm2 1.619 CV 1 ASSI { 1237} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 62 and name HB3 )) 2.000 0.500 0.500 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.54703E-02 ppm1 0.967 ppm2 1.436 CV 1 ASSI { 1239} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 62 and name HB2 )) 2.300 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.40758E-02 ppm1 0.977 ppm2 1.171 CV 1 ASSI { 1240} (( segid " " and resid 93 and name HG )) ( segid " " and resid 93 and name HD2%) 2.100 0.500 0.500 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.13784E-01 ppm1 1.746 ppm2 0.955 CV 1 OR { 1240} (( segid " " and resid 93 and name HG )) ( segid " " and resid 93 and name HD1%) ASSI { 1241} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 92 and name HB3 )) 4.500 2.500 1.500 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 0.952 ppm2 2.255 CV 1 ASSI { 1242} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 92 and name HB3 )) 4.300 2.300 1.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 1.737 ppm2 2.256 CV 1 ASSI { 1243} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 194 and name HD2 )) 3.100 1.200 1.200 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 0.950 ppm2 2.992 CV 1 ASSI { 1244} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 195 and name HD2 )) 3.900 1.900 1.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 0.956 ppm2 2.693 CV 1 OR { 1244} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 195 and name HD3 )) ASSI { 1245} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 92 and name HG3 )) 4.600 2.600 1.400 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 0.960 ppm2 2.566 CV 1 ASSI { 1246} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 77 and name HB2 )) 2.700 0.900 0.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.43701E-02 ppm1 0.884 ppm2 2.802 CV 1 ASSI { 1247} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HB )) 2.100 0.600 0.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.57277E-02 ppm1 0.977 ppm2 2.749 CV 1 ASSI { 1249} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 77 and name HB3 )) 3.200 1.200 1.200 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.31684E-02 ppm1 0.883 ppm2 2.470 CV 1 ASSI { 1250} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 92 and name HG2 )) 4.600 2.600 1.400 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 0.970 ppm2 2.428 CV 1 OR { 1250} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 92 and name HB2 )) ASSI { 1251} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 79 and name HG3 )) 3.700 1.700 1.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.19735E-02 ppm1 0.882 ppm2 2.151 CV 1 ASSI { 1252} (( segid " " and resid 66 and name HG3 )) (( segid " " and resid 66 and name HB2 )) 2.300 0.700 0.700 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.32632E-02 ppm1 0.983 ppm2 2.050 CV 1 OR { 1252} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HB2 )) ASSI { 1255} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HA )) 2.500 0.800 0.800 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.33919E-02 ppm1 1.618 ppm2 4.071 CV 1 ASSI { 1256} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name HA )) 2.000 0.500 0.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.18026E-01 ppm1 0.951 ppm2 4.070 CV 1 ASSI { 1257} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name HA )) 3.400 1.400 1.400 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.63877E-02 ppm1 0.961 ppm2 4.070 CV 1 ASSI { 1259} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HA )) 2.200 0.600 0.600 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.59442E-02 ppm1 0.976 ppm2 3.284 CV 1 ASSI { 1260} (( segid " " and resid 93 and name HG )) (( segid " " and resid 93 and name HA )) 3.800 1.800 1.800 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.23493E-02 ppm1 1.748 ppm2 4.071 CV 1 ASSI { 1261} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 194 and name HA )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.29924E-02 ppm1 0.950 ppm2 4.736 CV 1 ASSI { 1262} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 92 and name HA )) 3.500 1.500 1.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 0.952 ppm2 4.578 CV 1 ASSI { 1264} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 94 and name H )) 4.400 2.400 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.90044E-03 ppm1 1.623 ppm2 7.677 CV 1 ASSI { 1265} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 94 and name H )) 4.400 2.400 1.600 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 0.952 ppm2 7.680 CV 1 ASSI { 1266} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 94 and name H )) 3.600 1.600 1.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.14658E-02 ppm1 0.963 ppm2 7.677 CV 1 ASSI { 1267} (( segid " " and resid 93 and name HG )) (( segid " " and resid 94 and name H )) 5.000 3.100 1.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.84965E-03 ppm1 1.747 ppm2 7.681 CV 1 ASSI { 1269} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 95 and name H )) 4.400 2.500 1.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 0.950 ppm2 7.994 CV 1 ASSI { 1270} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 193 and name H )) 3.700 1.700 1.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 0.954 ppm2 7.894 CV 1 ASSI { 1271} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 93 and name H )) 2.500 0.800 0.800 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.38589E-02 ppm1 0.951 ppm2 8.495 CV 1 ASSI { 1272} (( segid " " and resid 93 and name HG )) (( segid " " and resid 93 and name H )) 3.700 1.700 1.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.23053E-02 ppm1 1.746 ppm2 8.495 CV 1 ASSI { 1273} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name H )) 3.700 1.700 1.700 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 1.616 ppm2 8.494 CV 1 ASSI { 1275} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name H )) 2.900 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 4.073 ppm2 8.493 CV 1 ASSI { 1276} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 93 and name H )) 2.100 0.600 0.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.48203E-02 ppm1 0.964 ppm2 8.490 CV 1 ASSI { 1277} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 67 and name H )) 2.800 1.000 1.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 0.973 ppm2 8.146 CV 1 OR { 1277} (( segid " " and resid 66 and name HG3 )) (( segid " " and resid 67 and name H )) ASSI { 1279} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 26 and name H )) 3.800 1.800 1.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 0.976 ppm2 8.701 CV 1 ASSI { 1280} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 195 and name H )) 3.000 1.100 1.100 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.24474E-02 ppm1 0.951 ppm2 8.789 CV 1 ASSI { 1281} ( segid " " and resid 93 and name HD1%) (( segid " " and resid 194 and name H )) 3.900 1.900 1.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 0.952 ppm2 8.646 CV 1 ASSI { 1282} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 49 and name H )) 4.300 2.300 1.700 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 0.967 ppm2 9.116 CV 1 ASSI { 1283} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name H )) 2.200 0.600 0.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.57783E-02 ppm1 0.977 ppm2 9.459 CV 1 ASSI { 1284} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name H )) 2.500 0.800 0.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 5.054 ppm2 9.213 CV 1 ASSI { 1285} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name H )) 3.100 1.200 1.200 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 5.048 ppm2 8.814 CV 1 ASSI { 1286} (( segid " " and resid 90 and name HB )) (( segid " " and resid 90 and name H )) 2.700 0.900 0.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 1.657 ppm2 8.810 CV 1 ASSI { 1287} (( segid " " and resid 90 and name HB )) (( segid " " and resid 91 and name H )) 3.700 1.700 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.12999E-02 ppm1 1.655 ppm2 9.200 CV 1 ASSI { 1288} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 92 and name H )) 4.100 2.100 1.900 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 0.640 ppm2 8.922 CV 1 ASSI { 1289} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 90 and name H )) 3.400 1.500 1.500 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.35170E-02 ppm1 0.641 ppm2 8.809 CV 1 ASSI { 1290} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 91 and name H )) 2.400 0.700 0.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.46681E-02 ppm1 0.638 ppm2 9.209 CV 1 ASSI { 1291} (( segid " " and resid 90 and name HG12)) (( segid " " and resid 90 and name H )) 3.100 1.200 1.200 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 1.101 ppm2 8.808 CV 1 ASSI { 1292} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 191 and name H )) 4.000 2.000 2.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 0.638 ppm2 8.433 CV 1 ASSI { 1293} (( segid " " and resid 90 and name HA )) (( segid " " and resid 191 and name H )) 3.200 1.300 1.300 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 5.051 ppm2 8.431 CV 1 ASSI { 1294} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 193 and name H )) 2.700 0.900 0.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.38726E-02 ppm1 0.639 ppm2 7.892 CV 1 ASSI { 1295} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 90 and name HA )) 2.400 0.700 0.700 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.51015E-02 ppm1 0.639 ppm2 5.052 CV 1 ASSI { 1297} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 192 and name HA )) 3.400 1.400 1.400 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.22003E-02 ppm1 0.639 ppm2 4.708 CV 1 ASSI { 1298} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 92 and name HA )) 3.100 1.200 1.200 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.22443E-02 ppm1 0.638 ppm2 4.579 CV 1 ASSI { 1299} (( segid " " and resid 90 and name HB )) (( segid " " and resid 89 and name HA )) 4.200 2.200 1.800 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 1.651 ppm2 4.621 CV 1 ASSI { 1300} (( segid " " and resid 90 and name HB )) (( segid " " and resid 90 and name HA )) 3.100 1.200 1.200 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 1.651 ppm2 5.047 CV 1 ASSI { 1301} (( segid " " and resid 90 and name HA )) (( segid " " and resid 192 and name HA )) 4.300 2.300 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.60592E-03 ppm1 5.048 ppm2 4.728 CV 1 ASSI { 1302} (( segid " " and resid 90 and name HA )) (( segid " " and resid 89 and name HA )) 4.200 2.200 1.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 5.056 ppm2 4.639 CV 1 ASSI { 1305} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 90 and name HB )) 2.000 0.500 0.500 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.13490E-01 ppm1 0.639 ppm2 1.652 CV 1 ASSI { 1306} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 98 and name HG3 )) 3.700 1.700 1.700 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.39098E-02 ppm1 0.640 ppm2 1.373 CV 1 ASSI { 1307} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 92 and name HB2 )) 4.200 2.200 1.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.13439E-02 ppm1 0.639 ppm2 2.450 CV 1 ASSI { 1309} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 90 and name HG13)) 2.000 0.500 0.500 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.97321E-02 ppm1 0.638 ppm2 1.207 CV 1 ASSI { 1310} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 90 and name HG12)) 2.900 1.000 1.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.85304E-02 ppm1 0.638 ppm2 1.104 CV 1 ASSI { 1312} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HB2 )) 3.900 1.900 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 5.054 ppm2 1.364 CV 1 ASSI { 1314} (( segid " " and resid 90 and name HB )) (( segid " " and resid 90 and name HG13)) 2.400 0.700 0.700 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.31922E-02 ppm1 1.657 ppm2 1.207 CV 1 ASSI { 1315} (( segid " " and resid 90 and name HB )) (( segid " " and resid 90 and name HG12)) 2.400 0.700 0.700 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.32090E-02 ppm1 1.658 ppm2 1.104 CV 1 ASSI { 1321} (( segid " " and resid 78 and name HA )) ( segid " " and resid 8 and name HD1%) 4.000 2.000 2.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 5.330 ppm2 0.710 CV 1 ASSI { 1324} (( segid " " and resid 78 and name HA )) (( segid " " and resid 7 and name HD3 )) 4.200 2.200 1.800 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 5.332 ppm2 1.461 CV 1 ASSI { 1325} (( segid " " and resid 78 and name HA )) (( segid " " and resid 7 and name HB3 )) 4.500 2.500 1.500 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 5.342 ppm2 1.341 CV 1 ASSI { 1327} (( segid " " and resid 78 and name HA )) (( segid " " and resid 7 and name HB2 )) 2.900 1.100 1.100 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 5.333 ppm2 1.819 CV 1 ASSI { 1328} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.22883E-02 ppm1 1.007 ppm2 1.999 CV 1 ASSI { 1329} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HB2 )) 2.300 0.700 0.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.50676E-02 ppm1 1.006 ppm2 1.822 CV 1 ASSI { 1330} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HB2 )) 4.100 2.100 1.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 1.007 ppm2 1.708 CV 1 ASSI { 1331} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HD3 )) 3.000 1.100 1.100 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.47120E-02 ppm1 1.006 ppm2 1.464 CV 1 ASSI { 1332} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HB3 )) 3.000 1.100 1.100 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.38894E-02 ppm1 1.006 ppm2 1.331 CV 1 ASSI { 1333} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HG3 )) 2.200 2.200 3.800 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 1.011 ppm2 1.185 CV 1 OR { 1333} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HG2 )) ASSI { 1334} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HG3 )) 3.400 1.400 1.400 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 1.007 ppm2 2.402 CV 1 ASSI { 1335} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HE2 )) 2.300 2.300 3.700 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.19227E-02 ppm1 1.006 ppm2 2.798 CV 1 OR { 1335} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HE3 )) ASSI { 1336} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.100 0.600 0.600 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.13649E-01 ppm1 1.006 ppm2 3.859 CV 1 ASSI { 1337} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 52 and name HB2 )) 2.800 0.900 0.900 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.43228E-02 ppm1 1.006 ppm2 3.668 CV 1 ASSI { 1338} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 9 and name HB2 )) 2.500 0.800 0.800 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.49694E-02 ppm1 1.007 ppm2 3.573 CV 1 ASSI { 1340} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 77 and name HA )) 2.400 2.400 3.600 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 1.009 ppm2 4.587 CV 1 ASSI { 1341} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name HA )) 4.100 2.100 1.900 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.14827E-02 ppm1 1.007 ppm2 4.501 CV 1 ASSI { 1342} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HA )) 2.900 1.100 1.100 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.35509E-02 ppm1 1.006 ppm2 4.906 CV 1 ASSI { 1343} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) 2.400 0.700 0.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.81650E-02 ppm1 1.006 ppm2 5.331 CV 1 ASSI { 1344} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name HA )) 3.500 1.500 1.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 1.006 ppm2 5.183 CV 1 ASSI { 1345} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HA )) 3.400 1.400 1.400 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 3.861 ppm2 5.328 CV 1 ASSI { 1346} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name H )) 3.500 1.600 1.600 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.44040E-02 ppm1 1.006 ppm2 8.144 CV 1 ASSI { 1350} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 9 and name H )) 2.900 1.100 1.100 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 1.006 ppm2 8.866 CV 1 ASSI { 1351} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 7 and name H )) 3.900 1.900 1.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.20514E-02 ppm1 1.005 ppm2 8.671 CV 1 ASSI { 1352} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 80 and name H )) 3.400 1.400 1.400 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 1.008 ppm2 9.162 CV 1 ASSI { 1353} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name H )) 2.300 0.700 0.700 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.89299E-02 ppm1 1.006 ppm2 9.050 CV 1 ASSI { 1354} (( segid " " and resid 78 and name HB )) (( segid " " and resid 79 and name H )) 4.400 2.400 1.600 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 3.868 ppm2 9.043 CV 1 ASSI { 1356} (( segid " " and resid 76 and name HA3 )) (( segid " " and resid 76 and name H )) 3.200 1.300 1.300 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.20920E-02 ppm1 4.256 ppm2 9.305 CV 1 ASSI { 1361} (( segid " " and resid 76 and name HA2 )) (( segid " " and resid 75 and name HA )) 4.100 2.100 1.900 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 3.520 ppm2 4.715 CV 1 ASSI { 1362} (( segid " " and resid 76 and name HA2 )) (( segid " " and resid 76 and name HA3 )) 2.200 0.600 0.600 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.50777E-02 ppm1 3.516 ppm2 4.261 CV 1 ASSI { 1365} (( segid " " and resid 76 and name HA3 )) (( segid " " and resid 77 and name HB2 )) 4.300 2.300 1.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 4.257 ppm2 2.794 CV 1 ASSI { 1368} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name H )) 3.400 1.400 1.400 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 4.005 ppm2 7.830 CV 1 ASSI { 1371} (( segid " " and resid 181 and name HA )) (( segid " " and resid 185 and name H )) 3.500 1.500 1.500 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.10832E-02 ppm1 3.982 ppm2 7.342 CV 1 ASSI { 1372} (( segid " " and resid 71 and name HA )) ( segid " " and resid 71 and name HD% ) 2.900 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.26099E-02 ppm1 3.998 ppm2 7.232 CV 1 ASSI { 1373} (( segid " " and resid 71 and name HB3 )) ( segid " " and resid 71 and name HD% ) 3.000 1.100 1.100 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 3.153 ppm2 7.231 CV 1 ASSI { 1378} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB3 )) 2.300 0.600 0.600 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 2.683 ppm2 3.146 CV 1 ASSI { 1379} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB3 )) 3.000 1.100 1.100 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 4.000 ppm2 3.158 CV 1 ASSI { 1380} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 3.300 1.300 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.15301E-02 ppm1 4.000 ppm2 2.675 CV 1 ASSI { 1382} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HG3 )) 3.800 1.800 1.800 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.84965E-03 ppm1 3.993 ppm2 2.327 CV 1 ASSI { 1383} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 73 and name HG )) 3.400 1.500 1.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 2.683 ppm2 1.512 CV 1 ASSI { 1384} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 73 and name HD2%) 3.100 1.200 1.200 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 2.679 ppm2 0.824 CV 1 OR { 1384} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 73 and name HD1%) ASSI { 1386} (( segid " " and resid 71 and name HA )) ( segid " " and resid 73 and name HD1%) 4.500 2.600 1.500 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 3.996 ppm2 0.821 CV 1 ASSI { 1387} (( segid " " and resid 69 and name HA )) (( segid " " and resid 71 and name H )) 3.300 1.300 1.300 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 4.371 ppm2 7.559 CV 1 ASSI { 1388} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name H )) 3.400 1.400 1.400 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 4.379 ppm2 6.777 CV 1 ASSI { 1391} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 21 and name HA )) 3.100 1.200 1.200 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.84288E-03 ppm1 2.766 ppm2 4.097 CV 1 ASSI { 1394} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HB2 )) 2.000 0.500 0.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.56768E-02 ppm1 2.434 ppm2 2.764 CV 1 ASSI { 1395} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.400 0.700 0.700 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.60052E-02 ppm1 4.373 ppm2 2.765 CV 1 ASSI { 1398} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 2.769 ppm2 2.099 CV 1 ASSI { 1399} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 2.439 ppm2 2.096 CV 1 ASSI { 1400} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 68 and name HB2 )) 4.100 2.100 1.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 2.776 ppm2 1.945 CV 1 ASSI { 1401} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 67 and name HB% ) 4.700 2.700 1.300 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 2.760 ppm2 1.394 CV 1 ASSI { 1402} (( segid " " and resid 69 and name HA )) ( segid " " and resid 67 and name HB% ) 4.600 2.600 1.400 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 4.385 ppm2 1.374 CV 1 ASSI { 1404} (( segid " " and resid 69 and name HA )) ( segid " " and resid 4 and name HD2%) 3.600 1.600 1.600 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 4.377 ppm2 0.704 CV 1 OR { 1404} (( segid " " and resid 69 and name HA )) ( segid " " and resid 4 and name HD1%) ASSI { 1405} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 4 and name HD2%) 4.800 2.900 1.200 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 2.440 ppm2 0.701 CV 1 OR { 1405} (( segid " " and resid 69 and name HB3 )) ( segid " " and resid 4 and name HD1%) ASSI { 1407} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 68 and name HD2%) 2.800 1.000 1.000 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.19092E-02 ppm1 1.080 ppm2 0.307 CV 1 OR { 1407} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 68 and name HD1%) ASSI { 1408} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 68 and name HD1%) 3.100 1.200 1.200 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 1.955 ppm2 0.309 CV 1 OR { 1408} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 68 and name HD2%) ASSI { 1409} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HD2%) 2.600 0.800 0.800 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.27893E-02 ppm1 3.924 ppm2 0.298 CV 1 OR { 1409} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HD1%) ASSI { 1413} (( segid " " and resid 68 and name HG )) ( segid " " and resid 68 and name HD1%) 2.400 0.700 0.700 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.36424E-02 ppm1 1.654 ppm2 0.315 CV 1 OR { 1413} (( segid " " and resid 68 and name HG )) ( segid " " and resid 68 and name HD2%) ASSI { 1414} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 28 and name HB% ) 2.500 0.800 0.800 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.35274E-02 ppm1 0.326 ppm2 1.010 CV 1 ASSI { 1416} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name HB3 )) 2.400 0.700 0.700 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.47019E-02 ppm1 0.295 ppm2 1.078 CV 1 ASSI { 1418} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 73 and name HD1%) 2.400 0.700 0.700 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.90958E-02 ppm1 0.295 ppm2 0.821 CV 1 ASSI { 1419} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 49 and name HD1%) 2.100 0.600 0.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.89876E-02 ppm1 0.295 ppm2 0.731 CV 1 ASSI { 1421} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HG )) 2.400 0.700 0.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.46004E-02 ppm1 0.326 ppm2 1.652 CV 1 ASSI { 1423} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 79 and name HE% ) 2.900 1.100 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.22951E-02 ppm1 0.327 ppm2 1.473 CV 1 ASSI { 1424} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name HG )) 2.200 0.600 0.600 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.60458E-02 ppm1 0.295 ppm2 1.654 CV 1 ASSI { 1425} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 79 and name HE% ) 2.600 0.800 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.59137E-02 ppm1 0.295 ppm2 1.474 CV 1 ASSI { 1426} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 67 and name HB% ) 3.400 1.400 1.400 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 0.295 ppm2 1.373 CV 1 ASSI { 1427} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name HB2 )) 3.300 1.400 1.400 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.35274E-02 ppm1 0.296 ppm2 1.943 CV 1 ASSI { 1428} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HB2 )) 2.800 1.000 1.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 0.325 ppm2 1.942 CV 1 ASSI { 1429} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB3 )) 2.800 1.000 1.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 3.915 ppm2 1.086 CV 1 ASSI { 1430} (( segid " " and resid 68 and name HA )) (( segid " " and resid 66 and name HG2 )) 3.800 1.800 1.800 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 3.930 ppm2 0.993 CV 1 ASSI { 1431} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HB3 )) 2.300 0.700 0.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 1.947 ppm2 1.086 CV 1 ASSI { 1432} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG )) 3.500 1.500 1.500 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.91059E-03 ppm1 3.922 ppm2 1.650 CV 1 ASSI { 1435} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.20074E-02 ppm1 0.326 ppm2 2.298 CV 1 ASSI { 1436} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 25 and name HB )) 2.500 2.500 3.500 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 0.295 ppm2 2.751 CV 1 ASSI { 1437} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 25 and name HA )) 2.900 1.100 1.100 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 0.295 ppm2 3.280 CV 1 ASSI { 1438} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) 3.600 1.600 1.600 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 1.931 ppm2 3.929 CV 1 ASSI { 1440} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 0.324 ppm2 4.100 CV 1 ASSI { 1441} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name HA )) 2.100 0.500 0.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.85069E-02 ppm1 0.295 ppm2 3.920 CV 1 ASSI { 1442} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HA )) 3.500 1.500 1.500 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.35137E-02 ppm1 0.326 ppm2 3.924 CV 1 ASSI { 1443} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 67 and name HA )) 4.000 2.000 2.000 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 0.296 ppm2 4.860 CV 1 ASSI { 1444} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 67 and name HA )) 3.600 1.600 1.600 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 0.330 ppm2 4.846 CV 1 ASSI { 1445} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 19 and name HE% ) 4.100 2.100 1.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 0.327 ppm2 7.133 CV 1 ASSI { 1447} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 71 and name HD% ) 4.200 2.200 1.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 0.294 ppm2 7.227 CV 1 ASSI { 1448} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 19 and name HD% ) 2.500 2.500 3.500 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 0.298 ppm2 7.059 CV 1 ASSI { 1449} (( segid " " and resid 68 and name HA )) ( segid " " and resid 71 and name HD% ) 3.400 1.500 1.500 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 3.918 ppm2 7.234 CV 1 ASSI { 1450} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name H )) 3.100 1.200 1.200 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 1.945 ppm2 8.360 CV 1 ASSI { 1451} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 68 and name H )) 3.300 1.400 1.400 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.33072E-02 ppm1 0.295 ppm2 8.351 CV 1 ASSI { 1452} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 69 and name H )) 4.500 2.600 1.500 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 0.296 ppm2 8.082 CV 1 ASSI { 1455} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name H )) 4.300 2.300 1.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 1.083 ppm2 8.335 CV 1 ASSI { 1456} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name H )) 3.800 1.800 1.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 0.326 ppm2 8.351 CV 1 ASSI { 1458} ( segid " " and resid 68 and name HD2%) (( segid " " and resid 25 and name H )) 3.700 1.700 1.700 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 0.296 ppm2 9.468 CV 1 ASSI { 1459} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 25 and name H )) 4.400 2.400 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 1.394 ppm2 9.464 CV 1 ASSI { 1461} (( segid " " and resid 67 and name HA )) (( segid " " and resid 25 and name H )) 3.300 1.400 1.400 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 4.861 ppm2 9.460 CV 1 ASSI { 1462} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 68 and name H )) 2.500 0.800 0.800 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.52299E-02 ppm1 1.393 ppm2 8.353 CV 1 ASSI { 1464} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 70 and name H )) 2.700 0.900 0.900 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 1.392 ppm2 7.897 CV 1 ASSI { 1465} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 23 and name H )) 3.900 1.900 1.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 1.395 ppm2 7.722 CV 1 ASSI { 1466} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 71 and name H )) 4.900 3.000 1.100 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 1.391 ppm2 7.568 CV 1 ASSI { 1468} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 22 and name H )) 4.300 2.300 1.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 1.394 ppm2 7.383 CV 1 ASSI { 1471} ( segid " " and resid 67 and name HB% ) ( segid " " and resid 70 and name HD% ) 4.800 2.800 1.200 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 1.397 ppm2 6.060 CV 1 ASSI { 1472} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 67 and name HA )) 2.100 0.500 0.500 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.80396E-02 ppm1 1.393 ppm2 4.856 CV 1 ASSI { 1473} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 24 and name HA )) 3.100 1.200 1.200 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.35612E-02 ppm1 1.394 ppm2 4.712 CV 1 ASSI { 1474} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 22 and name HA )) 2.200 0.600 0.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.90214E-02 ppm1 1.393 ppm2 4.323 CV 1 ASSI { 1475} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 22 and name HB3 )) 3.600 1.700 1.700 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 1.394 ppm2 4.035 CV 1 ASSI { 1476} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 70 and name HA )) 3.700 1.700 1.700 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.28063E-02 ppm1 1.394 ppm2 3.919 CV 1 ASSI { 1477} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 22 and name HB2 )) 3.700 1.700 1.700 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.22274E-02 ppm1 1.394 ppm2 3.796 CV 1 ASSI { 1478} (( segid " " and resid 67 and name HA )) (( segid " " and resid 24 and name HA )) 2.000 0.500 0.500 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.25625E-02 ppm1 4.857 ppm2 4.715 CV 1 ASSI { 1479} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 70 and name HB3 )) 3.000 1.100 1.100 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.15165E-02 ppm1 1.395 ppm2 3.113 CV 1 ASSI { 1480} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 70 and name HB2 )) 3.000 1.200 1.200 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 1.392 ppm2 2.826 CV 1 ASSI { 1483} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 69 and name HB3 )) 3.700 1.700 1.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 1.393 ppm2 2.419 CV 1 ASSI { 1484} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 66 and name HE3 )) 4.600 2.700 1.400 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 1.391 ppm2 2.264 CV 1 ASSI { 1485} (( segid " " and resid 67 and name HA )) (( segid " " and resid 24 and name HG3 )) 2.900 1.100 1.100 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 4.862 ppm2 2.728 CV 1 ASSI { 1486} (( segid " " and resid 67 and name HA )) (( segid " " and resid 24 and name HG2 )) 4.700 2.800 1.300 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 4.862 ppm2 2.617 CV 1 ASSI { 1488} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 68 and name HB2 )) 3.800 1.800 1.800 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.19532E-02 ppm1 1.389 ppm2 1.940 CV 1 ASSI { 1489} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 1.392 ppm2 1.720 CV 1 ASSI { 1490} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 68 and name HG )) 4.200 2.200 1.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 1.395 ppm2 1.648 CV 1 ASSI { 1492} (( segid " " and resid 67 and name HA )) (( segid " " and resid 24 and name HB2 )) 4.400 2.400 1.600 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 4.854 ppm2 1.703 CV 1 ASSI { 1495} (( segid " " and resid 67 and name HA )) ( segid " " and resid 68 and name HD2%) 4.800 2.900 1.200 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 4.850 ppm2 0.309 CV 1 OR { 1495} (( segid " " and resid 67 and name HA )) ( segid " " and resid 68 and name HD1%) ASSI { 1496} ( segid " " and resid 67 and name HB% ) ( segid " " and resid 68 and name HD2%) 4.500 2.500 1.500 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.15944E-02 ppm1 1.393 ppm2 0.306 CV 1 OR { 1496} ( segid " " and resid 67 and name HB% ) ( segid " " and resid 68 and name HD1%) ASSI { 1497} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 66 and name HG2 )) 3.500 1.500 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.24779E-02 ppm1 1.394 ppm2 0.985 CV 1 ASSI { 1503} ( segid " " and resid 64 and name HB% ) ( segid " " and resid 25 and name HG2%) 4.200 2.200 1.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.26944E-02 ppm1 1.520 ppm2 0.982 CV 1 ASSI { 1505} (( segid " " and resid 64 and name HA )) ( segid " " and resid 25 and name HG2%) 4.000 2.000 2.000 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.15741E-02 ppm1 3.916 ppm2 0.982 CV 1 ASSI { 1508} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 63 and name HG3 )) 4.300 2.300 1.700 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 1.522 ppm2 2.278 CV 1 ASSI { 1510} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 63 and name HB2 )) 4.000 2.000 2.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 1.518 ppm2 1.920 CV 1 ASSI { 1511} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 24 and name HB3 )) 4.400 2.400 1.600 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 1.527 ppm2 1.762 CV 1 ASSI { 1512} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 26 and name HB2 )) 3.600 1.600 1.600 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.71020E-02 ppm1 1.521 ppm2 2.806 CV 1 ASSI { 1513} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 24 and name HG2 )) 3.800 1.800 1.800 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 1.523 ppm2 2.597 CV 1 ASSI { 1514} (( segid " " and resid 64 and name HA )) (( segid " " and resid 25 and name HB )) 2.300 0.600 0.600 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 3.918 ppm2 2.750 CV 1 ASSI { 1515} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 26 and name HB3 )) 2.300 0.600 0.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.72679E-02 ppm1 1.521 ppm2 3.188 CV 1 ASSI { 1516} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 65 and name HA2 )) 3.400 1.500 1.500 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.20649E-02 ppm1 1.522 ppm2 3.577 CV 1 ASSI { 1517} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 64 and name HA )) 2.000 0.500 0.500 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.12582E-01 ppm1 1.521 ppm2 3.916 CV 1 ASSI { 1518} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 26 and name HA )) 3.200 1.300 1.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.56362E-02 ppm1 1.521 ppm2 4.372 CV 1 ASSI { 1519} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 63 and name HA )) 3.600 1.600 1.600 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.56023E-02 ppm1 1.521 ppm2 4.214 CV 1 ASSI { 1521} (( segid " " and resid 64 and name HA )) (( segid " " and resid 63 and name HA )) 4.100 2.100 1.900 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 3.920 ppm2 4.211 CV 1 ASSI { 1523} ( segid " " and resid 64 and name HB% ) ( segid " " and resid 26 and name HE% ) 2.300 2.300 3.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 1.520 ppm2 6.786 CV 1 ASSI { 1524} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 27 and name H )) 2.300 2.300 3.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 1.522 ppm2 6.718 CV 1 ASSI { 1525} ( segid " " and resid 64 and name HB% ) ( segid " " and resid 26 and name HD% ) 2.400 0.700 0.700 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.71932E-02 ppm1 1.521 ppm2 7.071 CV 1 ASSI { 1526} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 66 and name H )) 3.700 1.800 1.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 1.520 ppm2 7.476 CV 1 ASSI { 1527} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 64 and name H )) 2.100 0.500 0.500 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.15280E-01 ppm1 1.521 ppm2 8.428 CV 1 ASSI { 1528} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 65 and name H )) 2.500 0.800 0.800 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.65399E-02 ppm1 1.522 ppm2 8.161 CV 1 ASSI { 1529} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name H )) 2.900 1.000 1.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.18483E-02 ppm1 3.918 ppm2 8.426 CV 1 ASSI { 1531} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 26 and name H )) 3.000 1.100 1.100 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.48984E-02 ppm1 1.521 ppm2 8.706 CV 1 ASSI { 1533} (( segid " " and resid 64 and name HA )) (( segid " " and resid 25 and name H )) 4.000 2.000 2.000 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.91398E-03 ppm1 3.923 ppm2 9.460 CV 1 ASSI { 1534} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 25 and name H )) 4.900 3.000 1.100 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.10392E-02 ppm1 1.522 ppm2 9.456 CV 1 ASSI { 1535} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name H )) 3.100 1.200 1.200 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 3.884 ppm2 8.792 CV 1 ASSI { 1536} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name H )) 2.400 0.700 0.700 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.22342E-02 ppm1 3.881 ppm2 8.484 CV 1 ASSI { 1537} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 51 and name H )) 3.200 1.300 1.300 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.32971E-02 ppm1 0.404 ppm2 8.449 CV 1 ASSI { 1539} (( segid " " and resid 62 and name HG )) (( segid " " and resid 62 and name H )) 2.600 0.800 0.800 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 0.678 ppm2 8.792 CV 1 ASSI { 1540} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 50 and name H )) 4.500 2.600 1.500 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 -0.160 ppm2 9.116 CV 1 ASSI { 1541} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 62 and name H )) 3.100 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.38726E-02 ppm1 -0.161 ppm2 8.795 CV 1 ASSI { 1542} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name H )) 3.300 1.300 1.300 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.53348E-02 ppm1 0.403 ppm2 8.793 CV 1 ASSI { 1543} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 50 and name H )) 3.900 1.900 1.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.16790E-02 ppm1 0.401 ppm2 9.093 CV 1 ASSI { 1545} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 52 and name H )) 5.300 3.600 0.700 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 -0.156 ppm2 8.144 CV 1 ASSI { 1546} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 52 and name H )) 4.800 2.900 1.200 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 0.406 ppm2 8.146 CV 1 ASSI { 1547} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 61 and name HE3 )) 4.500 2.500 1.500 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 0.403 ppm2 7.533 CV 1 ASSI { 1548} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 71 and name H )) 4.200 2.200 1.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 -0.161 ppm2 7.554 CV 1 ASSI { 1549} ( segid " " and resid 62 and name HD2%) ( segid " " and resid 71 and name HE% ) 3.100 1.200 1.200 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.22951E-02 ppm1 -0.160 ppm2 6.838 CV 1 ASSI { 1550} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 71 and name HE% ) 4.400 2.400 1.600 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 0.403 ppm2 6.857 CV 1 ASSI { 1551} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 49 and name HA )) 4.200 2.200 1.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 0.401 ppm2 5.446 CV 1 ASSI { 1552} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 61 and name HA )) 2.300 2.300 3.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.16452E-02 ppm1 -0.162 ppm2 4.880 CV 1 ASSI { 1553} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 50 and name HA )) 2.300 2.300 3.700 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 -0.161 ppm2 4.697 CV 1 ASSI { 1554} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 79 and name HA )) 3.400 1.500 1.500 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.25558E-02 ppm1 0.403 ppm2 4.877 CV 1 ASSI { 1555} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 50 and name HA )) 3.500 1.600 1.600 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 0.399 ppm2 4.702 CV 1 ASSI { 1556} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 62 and name HA )) 2.100 0.600 0.600 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.79414E-02 ppm1 -0.161 ppm2 3.884 CV 1 ASSI { 1557} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 51 and name HA )) 4.200 2.200 1.800 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 -0.164 ppm2 4.417 CV 1 ASSI { 1558} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 51 and name HA )) 3.300 1.300 1.300 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 0.402 ppm2 4.411 CV 1 ASSI { 1561} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 25 and name HA )) 5.100 3.200 0.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 -0.159 ppm2 3.273 CV 1 ASSI { 1562} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 71 and name HB3 )) 3.300 1.400 1.400 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.18584E-02 ppm1 -0.160 ppm2 3.162 CV 1 ASSI { 1563} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 25 and name HA )) 4.400 2.400 1.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 0.405 ppm2 3.276 CV 1 ASSI { 1564} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 71 and name HB3 )) 3.900 1.900 1.900 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 0.402 ppm2 3.167 CV 1 ASSI { 1565} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 71 and name HB2 )) 3.100 1.200 1.200 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 -0.164 ppm2 2.676 CV 1 ASSI { 1566} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 71 and name HB2 )) 3.800 1.800 1.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 0.405 ppm2 2.686 CV 1 ASSI { 1567} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 50 and name HB2 )) 4.500 2.600 1.500 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 0.403 ppm2 2.409 CV 1 ASSI { 1568} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB3 )) 2.800 1.000 1.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.81580E-03 ppm1 3.898 ppm2 1.432 CV 1 ASSI { 1569} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HB3 )) 2.200 0.600 0.600 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 1.188 ppm2 1.446 CV 1 ASSI { 1570} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 79 and name HG3 )) 2.700 0.900 0.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.25354E-02 ppm1 0.403 ppm2 2.146 CV 1 OR { 1570} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 79 and name HG2 )) ASSI { 1574} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 79 and name HG3 )) 4.100 2.100 1.900 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 -0.162 ppm2 2.145 CV 1 OR { 1574} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 79 and name HG2 )) ASSI { 1576} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 51 and name HG )) 2.400 0.700 0.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.72036E-02 ppm1 -0.160 ppm2 1.310 CV 1 ASSI { 1577} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 62 and name HB2 )) 3.100 1.200 1.200 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.41603E-02 ppm1 -0.160 ppm2 1.177 CV 1 ASSI { 1578} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 51 and name HB2 )) 1.900 0.500 0.500 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.99962E-02 ppm1 -0.161 ppm2 0.969 CV 1 ASSI { 1579} ( segid " " and resid 62 and name HD2%) ( segid " " and resid 60 and name HD1%) 2.000 0.500 0.500 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.17670E-01 ppm1 -0.160 ppm2 0.813 CV 1 ASSI { 1580} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 62 and name HG )) 2.000 0.500 0.500 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.10507E-01 ppm1 -0.160 ppm2 0.676 CV 1 ASSI { 1581} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 49 and name HB3 )) 1.900 0.500 0.500 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.73424E-02 ppm1 0.403 ppm2 1.296 CV 1 ASSI { 1582} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HB2 )) 2.300 0.700 0.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.54196E-02 ppm1 0.403 ppm2 1.179 CV 1 ASSI { 1589} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 3.100 1.200 1.200 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 3.889 ppm2 1.177 CV 1 ASSI { 1590} (( segid " " and resid 62 and name HA )) ( segid " " and resid 25 and name HG2%) 3.700 1.700 1.700 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 3.888 ppm2 0.981 CV 1 ASSI { 1592} (( segid " " and resid 62 and name HG )) ( segid " " and resid 62 and name HD1%) 2.300 0.700 0.700 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.35475E-02 ppm1 0.663 ppm2 0.400 CV 1 ASSI { 1593} ( segid " " and resid 62 and name HD2%) ( segid " " and resid 62 and name HD1%) 1.800 0.400 0.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.29717E-01 ppm1 -0.161 ppm2 0.401 CV 1 ASSI { 1594} ( segid " " and resid 62 and name HD2%) ( segid " " and resid 68 and name HD2%) 2.800 1.000 1.000 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.69733E-02 ppm1 -0.161 ppm2 0.301 CV 1 ASSI { 1595} (( segid " " and resid 62 and name HB3 )) ( segid " " and resid 62 and name HD1%) 3.200 1.300 1.300 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 1.434 ppm2 0.392 CV 1 ASSI { 1596} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 68 and name HD2%) 2.000 0.500 0.500 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.10555E-01 ppm1 0.404 ppm2 0.308 CV 1 ASSI { 1597} (( segid " " and resid 62 and name HA )) ( segid " " and resid 62 and name HD1%) 4.200 2.200 1.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.14590E-02 ppm1 3.878 ppm2 0.402 CV 1 ASSI { 1603} (( segid " " and resid 62 and name HG )) (( segid " " and resid 61 and name HA )) 4.500 2.500 1.500 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 0.673 ppm2 4.870 CV 1 ASSI { 1604} (( segid " " and resid 62 and name HG )) (( segid " " and resid 62 and name HA )) 3.300 1.300 1.300 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 0.662 ppm2 3.871 CV 1 ASSI { 1605} (( segid " " and resid 62 and name HG )) (( segid " " and resid 62 and name HB3 )) 2.900 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.18381E-02 ppm1 0.685 ppm2 1.450 CV 1 ASSI { 1608} (( segid " " and resid 62 and name HB3 )) ( segid " " and resid 62 and name HD2%) 3.100 1.200 1.200 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 1.442 ppm2 -0.167 CV 1 ASSI { 1614} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name H )) 2.600 0.900 0.900 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.36356E-02 ppm1 1.567 ppm2 8.463 CV 1 ASSI { 1615} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 61 and name H )) 4.500 2.500 1.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 0.918 ppm2 8.448 CV 1 ASSI { 1617} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name H )) 3.300 1.400 1.400 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.63843E-02 ppm1 0.786 ppm2 8.465 CV 1 ASSI { 1618} (( segid " " and resid 192 and name HB3 )) (( segid " " and resid 192 and name H )) 4.000 2.000 2.000 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 1.548 ppm2 9.094 CV 1 ASSI { 1619} (( segid " " and resid 192 and name HB3 )) (( segid " " and resid 193 and name H )) 3.800 1.800 1.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 1.560 ppm2 7.897 CV 1 ASSI { 1621} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 181 and name HE )) 3.900 1.900 1.900 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 0.784 ppm2 8.018 CV 1 ASSI { 1623} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name H )) 3.000 1.100 1.100 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 4.487 ppm2 7.229 CV 1 ASSI { 1625} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name H )) 3.400 1.500 1.500 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.21462E-02 ppm1 1.568 ppm2 7.227 CV 1 ASSI { 1626} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name H )) 3.000 1.100 1.100 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.21191E-02 ppm1 0.921 ppm2 7.227 CV 1 ASSI { 1627} (( segid " " and resid 60 and name HG13)) (( segid " " and resid 60 and name H )) 2.700 0.900 0.900 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 1.327 ppm2 7.229 CV 1 ASSI { 1628} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name H )) 3.500 1.500 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 0.787 ppm2 7.326 CV 1 ASSI { 1629} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name H )) 2.900 1.000 1.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.59104E-02 ppm1 0.787 ppm2 7.233 CV 1 ASSI { 1630} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 71 and name HE% ) 3.200 1.300 1.300 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.19295E-02 ppm1 0.787 ppm2 6.850 CV 1 ASSI { 1631} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 50 and name HZ )) 4.900 3.000 1.100 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 0.786 ppm2 6.741 CV 1 ASSI { 1632} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 71 and name HE% ) 2.800 1.000 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.27960E-02 ppm1 0.833 ppm2 6.855 CV 1 ASSI { 1633} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 50 and name HE% ) 4.300 2.300 1.700 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 0.789 ppm2 6.496 CV 1 ASSI { 1634} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 4.100 2.100 1.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 0.834 ppm2 4.480 CV 1 ASSI { 1635} (( segid " " and resid 60 and name HG13)) (( segid " " and resid 60 and name HA )) 3.800 1.800 1.800 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 1.329 ppm2 4.485 CV 1 ASSI { 1636} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HA )) 4.600 2.600 1.400 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 0.788 ppm2 4.888 CV 1 ASSI { 1637} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.92209E-02 ppm1 0.787 ppm2 4.482 CV 1 ASSI { 1638} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 36 and name HA )) 2.900 1.100 1.100 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 0.915 ppm2 4.493 CV 1 ASSI { 1639} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 62 and name HA )) 4.100 2.100 1.900 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 0.787 ppm2 3.886 CV 1 ASSI { 1640} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HA3 )) 3.800 1.800 1.800 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 0.789 ppm2 3.741 CV 1 ASSI { 1641} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HA2 )) 3.700 1.700 1.700 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 0.784 ppm2 3.551 CV 1 ASSI { 1642} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HB2 )) 4.900 2.900 1.100 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 0.784 ppm2 2.999 CV 1 ASSI { 1643} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 71 and name HB3 )) 3.400 1.400 1.400 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 0.835 ppm2 3.138 CV 1 ASSI { 1644} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB )) 2.300 0.700 0.700 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.10602E-01 ppm1 0.833 ppm2 1.564 CV 1 ASSI { 1645} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG13)) 2.000 0.500 0.500 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.17704E-01 ppm1 0.833 ppm2 1.323 CV 1 ASSI { 1650} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 60 and name HG13)) 1.700 0.300 0.500 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.11235E-01 ppm1 0.920 ppm2 1.325 CV 1 ASSI { 1651} (( segid " " and resid 60 and name HG13)) (( segid " " and resid 60 and name HB )) 2.500 0.800 0.800 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.39199E-02 ppm1 1.329 ppm2 1.558 CV 1 ASSI { 1652} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HB )) 2.100 0.500 0.500 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.18208E-01 ppm1 0.787 ppm2 1.563 CV 1 ASSI { 1653} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG13)) 2.800 1.000 1.000 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.10335E-01 ppm1 0.787 ppm2 1.323 CV 1 ASSI { 1654} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG12)) 4.000 2.000 2.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.96476E-03 ppm1 4.489 ppm2 0.921 CV 1 ASSI { 1656} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG12)) 2.800 1.000 1.000 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.40081E-02 ppm1 1.563 ppm2 0.928 CV 1 ASSI { 1657} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 60 and name HD1%) 2.200 0.600 0.600 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.11530E-01 ppm1 0.919 ppm2 0.826 CV 1 OR { 1657} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 60 and name HG2%) ASSI { 1659} (( segid " " and resid 60 and name HG13)) ( segid " " and resid 60 and name HD1%) 2.300 0.600 0.600 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.11827E-01 ppm1 1.328 ppm2 0.826 CV 1 OR { 1659} (( segid " " and resid 60 and name HG13)) ( segid " " and resid 60 and name HG2%) ASSI { 1660} (( segid " " and resid 60 and name HG13)) ( segid " " and resid 62 and name HD1%) 4.400 2.400 1.600 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 1.328 ppm2 0.394 CV 1 ASSI { 1661} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 62 and name HD1%) 3.800 1.800 1.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.24508E-02 ppm1 0.833 ppm2 0.404 CV 1 ASSI { 1662} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 62 and name HD2%) 4.300 2.300 1.700 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 0.919 ppm2 -0.160 CV 1 ASSI { 1663} (( segid " " and resid 60 and name HG13)) ( segid " " and resid 62 and name HD2%) 3.100 1.200 1.200 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 1.326 ppm2 -0.161 CV 1 ASSI { 1665} (( segid " " and resid 60 and name HB )) ( segid " " and resid 62 and name HD2%) 3.600 1.600 1.600 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.13202E-02 ppm1 1.567 ppm2 -0.164 CV 1 ASSI { 1666} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HG2%) 2.100 0.600 0.600 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.13984E-01 ppm1 1.568 ppm2 0.803 CV 1 OR { 1666} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HD1%) ASSI { 1667} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB3 )) 2.400 0.700 0.700 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.62151E-02 ppm1 4.354 ppm2 2.363 CV 1 ASSI { 1668} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) 2.700 0.900 0.900 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.75318E-02 ppm1 4.353 ppm2 2.017 CV 1 ASSI { 1676} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HA )) 4.100 2.100 1.900 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.87335E-03 ppm1 4.937 ppm2 4.345 CV 1 ASSI { 1677} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 56 and name HD3 )) 2.900 1.100 1.100 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 2.443 ppm2 4.009 CV 1 OR { 1677} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 56 and name HD2 )) ASSI { 1678} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HD2 )) 2.500 0.800 0.800 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.52808E-02 ppm1 4.934 ppm2 4.036 CV 1 ASSI { 1679} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HD3 )) 2.500 0.800 0.800 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.55075E-02 ppm1 4.934 ppm2 3.988 CV 1 ASSI { 1680} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB3 )) 2.700 0.900 0.900 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 4.938 ppm2 2.452 CV 1 ASSI { 1681} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 3.300 1.400 1.400 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 4.937 ppm2 2.876 CV 1 ASSI { 1683} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 55 and name HB2 )) 1.900 0.400 0.400 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.45089E-02 ppm1 2.459 ppm2 2.873 CV 1 ASSI { 1688} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name H )) 4.300 2.300 1.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 4.597 ppm2 9.281 CV 1 ASSI { 1694} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name H )) 2.800 1.000 1.000 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.71121E-02 ppm1 4.587 ppm2 8.263 CV 1 ASSI { 1697} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.800 1.000 1.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.33581E-02 ppm1 4.587 ppm2 2.110 CV 1 ASSI { 1698} (( segid " " and resid 53 and name HB3 )) (( segid " " and resid 53 and name HB2 )) 2.200 0.600 0.600 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.34664E-02 ppm1 2.612 ppm2 2.109 CV 1 ASSI { 1700} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB3 )) 3.100 1.200 1.200 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.27521E-02 ppm1 4.586 ppm2 2.614 CV 1 ASSI { 1701} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 58 and name HB3 )) 3.700 1.700 1.700 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 2.122 ppm2 1.909 CV 1 ASSI { 1703} (( segid " " and resid 53 and name HB3 )) (( segid " " and resid 58 and name HB2 )) 3.300 1.300 1.300 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 2.620 ppm2 1.725 CV 1 ASSI { 1704} (( segid " " and resid 53 and name HB3 )) (( segid " " and resid 58 and name HB3 )) 3.300 1.300 1.300 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 2.608 ppm2 1.899 CV 1 ASSI { 1712} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 50 and name H )) 3.500 1.500 1.500 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.49456E-02 ppm1 0.868 ppm2 9.128 CV 1 ASSI { 1713} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 82 and name H )) 3.600 1.700 1.700 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.25965E-02 ppm1 0.869 ppm2 8.682 CV 1 ASSI { 1714} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 81 and name H )) 4.100 2.100 1.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 0.871 ppm2 8.557 CV 1 ASSI { 1715} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 52 and name H )) 2.900 1.000 1.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.32532E-02 ppm1 0.727 ppm2 8.144 CV 1 ASSI { 1716} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 81 and name HD% ) 2.200 0.600 0.600 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.58460E-02 ppm1 0.869 ppm2 6.815 CV 1 ASSI { 1720} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 49 and name HA )) 2.000 0.500 0.500 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.96205E-02 ppm1 0.869 ppm2 5.426 CV 1 ASSI { 1721} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 8 and name HA )) 4.800 2.900 1.200 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 0.867 ppm2 4.898 CV 1 ASSI { 1722} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.15470E-02 ppm1 0.870 ppm2 3.935 CV 1 ASSI { 1723} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 190 and name HB )) 3.300 1.300 1.300 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.22409E-02 ppm1 0.698 ppm2 3.893 CV 1 ASSI { 1724} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 81 and name HB3 )) 4.300 2.300 1.700 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.18618E-02 ppm1 0.869 ppm2 3.104 CV 1 ASSI { 1725} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HG )) 3.500 1.600 1.600 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 5.435 ppm2 1.769 CV 1 ASSI { 1726} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 132 and name HG3 )) 2.700 0.900 0.900 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.70477E-02 ppm1 0.698 ppm2 2.119 CV 1 ASSI { 1728} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 111 and name HE% ) 3.400 1.400 1.400 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.30195E-02 ppm1 0.746 ppm2 1.914 CV 1 ASSI { 1729} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 81 and name HB2 )) 3.200 1.300 1.300 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 0.871 ppm2 2.433 CV 1 ASSI { 1730} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 79 and name HG2 )) 3.200 1.300 1.300 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.31177E-02 ppm1 0.868 ppm2 2.145 CV 1 ASSI { 1733} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HD1%) 4.000 2.000 2.000 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 5.432 ppm2 0.743 CV 1 ASSI { 1734} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HB3 )) 2.800 1.000 1.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 5.427 ppm2 1.282 CV 1 ASSI { 1736} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 4 and name HB2 )) 1.800 0.400 0.400 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.48069E-02 ppm1 1.293 ppm2 1.574 CV 1 ASSI { 1745} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 62 and name HD1%) 3.900 1.900 1.900 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 0.868 ppm2 0.397 CV 1 ASSI { 1746} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 68 and name HD2%) 4.000 2.000 2.000 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 0.866 ppm2 0.301 CV 1 OR { 1746} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 68 and name HD1%) ASSI { 1747} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 32 and name HD1%) 3.400 1.400 1.400 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 0.868 ppm2 0.112 CV 1 ASSI { 1749} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 62 and name HD2%) 5.300 3.500 0.700 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 0.871 ppm2 -0.157 CV 1 ASSI { 1750} (( segid " " and resid 48 and name HA3 )) (( segid " " and resid 48 and name HA2 )) 2.200 0.600 0.600 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.26200E-02 ppm1 4.474 ppm2 3.934 CV 1 ASSI { 1752} (( segid " " and resid 48 and name HA3 )) (( segid " " and resid 61 and name HZ3 )) 3.400 1.500 1.500 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.58900E-03 ppm1 4.466 ppm2 6.607 CV 1 ASSI { 1760} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name H )) 3.300 1.300 1.300 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 4.633 ppm2 7.857 CV 1 ASSI { 1761} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name H )) 3.500 1.600 1.600 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 2.760 ppm2 7.850 CV 1 OR { 1761} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 46 and name H )) ASSI { 1762} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HD21)) 3.000 1.100 1.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 2.750 ppm2 7.562 CV 1 OR { 1762} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HD21)) ASSI { 1764} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.81885E-02 ppm1 2.759 ppm2 4.621 CV 1 OR { 1764} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 1765} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA )) 3.800 1.800 1.800 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 4.623 ppm2 4.216 CV 1 ASSI { 1766} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB3 )) 2.200 0.600 0.600 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.12650E-01 ppm1 4.625 ppm2 2.756 CV 1 ASSI { 1768} (( segid " " and resid 45 and name HA )) (( segid " " and resid 43 and name HB2 )) 4.400 2.400 1.600 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 4.624 ppm2 1.984 CV 1 ASSI { 1769} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 42 and name HA3 )) 2.100 0.600 0.600 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.46715E-02 ppm1 4.259 ppm2 4.093 CV 1 ASSI { 1771} (( segid " " and resid 42 and name HA3 )) (( segid " " and resid 43 and name HD3 )) 2.500 0.800 0.800 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.33175E-02 ppm1 4.094 ppm2 3.670 CV 1 OR { 1771} (( segid " " and resid 42 and name HA3 )) (( segid " " and resid 43 and name HD2 )) ASSI { 1772} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 43 and name HD2 )) 3.600 1.600 1.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.40621E-02 ppm1 4.262 ppm2 3.669 CV 1 OR { 1772} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 43 and name HD3 )) ASSI { 1773} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 43 and name HB3 )) 5.100 3.200 0.900 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 4.252 ppm2 2.327 CV 1 ASSI { 1774} (( segid " " and resid 42 and name HA3 )) (( segid " " and resid 43 and name HB3 )) 5.000 3.100 1.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.60254E-03 ppm1 4.100 ppm2 2.320 CV 1 ASSI { 1775} (( segid " " and resid 42 and name HA3 )) (( segid " " and resid 43 and name HG2 )) 4.900 3.000 1.100 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 4.085 ppm2 1.976 CV 1 OR { 1775} (( segid " " and resid 42 and name HA3 )) (( segid " " and resid 43 and name HG3 )) ASSI { 1776} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 43 and name HG3 )) 5.300 3.500 0.700 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.14861E-02 ppm1 4.261 ppm2 1.969 CV 1 OR { 1776} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 43 and name HG2 )) ASSI { 1777} (( segid " " and resid 42 and name HA2 )) ( segid " " and resid 41 and name HB% ) 4.500 2.600 1.500 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 4.247 ppm2 1.354 CV 1 ASSI { 1779} (( segid " " and resid 42 and name HA2 )) ( segid " " and resid 47 and name HE% ) 5.500 3.800 0.500 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 4.265 ppm2 7.097 CV 1 ASSI { 1782} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name H )) 2.700 0.900 0.900 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.49661E-02 ppm1 4.228 ppm2 7.588 CV 1 ASSI { 1784} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 41 and name H )) 2.300 0.600 0.600 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.18913E-01 ppm1 1.354 ppm2 7.363 CV 1 ASSI { 1786} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 47 and name HE% ) 3.000 1.100 1.100 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.36119E-02 ppm1 1.354 ppm2 7.130 CV 1 ASSI { 1787} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 81 and name HD% ) 4.100 2.100 1.900 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 1.353 ppm2 6.787 CV 1 ASSI { 1788} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 47 and name HD% ) 4.200 2.200 1.800 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.96476E-03 ppm1 1.353 ppm2 6.722 CV 1 ASSI { 1789} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 39 and name HA )) 3.500 1.500 1.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 1.359 ppm2 4.020 CV 1 ASSI { 1790} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 41 and name HA )) 2.000 0.500 0.500 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.26492E-01 ppm1 1.354 ppm2 4.225 CV 1 ASSI { 1791} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 42 and name HA3 )) 3.600 1.700 1.700 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 1.353 ppm2 4.126 CV 1 ASSI { 1792} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 38 and name HA )) 3.300 1.300 1.300 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.19363E-02 ppm1 1.353 ppm2 3.925 CV 1 ASSI { 1794} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 10 and name HG2%) 2.100 2.100 3.900 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.27148E-02 ppm1 1.352 ppm2 0.853 CV 1 ASSI { 1795} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 10 and name HD1%) 2.200 2.200 3.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 1.354 ppm2 0.683 CV 1 ASSI { 1796} (( segid " " and resid 41 and name HA )) ( segid " " and resid 40 and name HD1%) 4.300 2.300 1.700 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 4.226 ppm2 0.848 CV 1 ASSI { 1797} (( segid " " and resid 41 and name HA )) ( segid " " and resid 40 and name HD2%) 3.800 1.800 1.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 4.228 ppm2 0.734 CV 1 ASSI { 1798} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 42 and name H )) 3.200 3.200 2.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 0.735 ppm2 7.614 CV 1 ASSI { 1801} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H )) 3.200 1.300 1.300 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.30229E-02 ppm1 1.696 ppm2 7.367 CV 1 ASSI { 1802} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name H )) 3.500 1.500 1.500 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 4.217 ppm2 7.589 CV 1 ASSI { 1804} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name H )) 2.900 1.000 1.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 4.218 ppm2 6.779 CV 1 ASSI { 1807} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 39 and name H )) 3.500 1.500 1.500 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 0.844 ppm2 7.998 CV 1 ASSI { 1808} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 39 and name H )) 4.100 2.100 1.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 0.736 ppm2 8.001 CV 1 ASSI { 1810} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 47 and name HD% ) 4.000 2.000 2.000 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.18686E-02 ppm1 0.736 ppm2 6.736 CV 1 ASSI { 1811} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 81 and name HE% ) 4.800 2.900 1.200 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 0.735 ppm2 6.316 CV 1 ASSI { 1813} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 37 and name HA )) 2.200 0.600 0.600 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.75217E-02 ppm1 0.845 ppm2 4.159 CV 1 ASSI { 1816} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 38 and name HA )) 3.700 1.700 1.700 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 0.736 ppm2 3.947 CV 1 ASSI { 1817} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 33 and name HA )) 2.100 2.100 3.900 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.31583E-02 ppm1 0.736 ppm2 3.554 CV 1 ASSI { 1818} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 38 and name HA )) 3.600 1.600 1.600 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 0.843 ppm2 3.944 CV 1 ASSI { 1819} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.13879E-02 ppm1 0.842 ppm2 3.555 CV 1 ASSI { 1820} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HB2 )) 3.500 1.500 1.500 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 4.220 ppm2 2.050 CV 1 ASSI { 1822} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HG )) 2.000 0.500 0.500 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.15003E-01 ppm1 0.737 ppm2 1.610 CV 1 ASSI { 1823} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 37 and name HB3 )) 3.600 1.700 1.700 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.24102E-02 ppm1 0.846 ppm2 2.255 CV 1 ASSI { 1825} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HG )) 1.800 0.400 0.400 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.19004E-01 ppm1 0.842 ppm2 1.591 CV 1 ASSI { 1826} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 40 and name HB2 )) 1.900 0.400 0.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.50844E-02 ppm1 1.548 ppm2 1.695 CV 1 ASSI { 1828} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.33478E-02 ppm1 4.216 ppm2 1.689 CV 1 ASSI { 1829} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB3 )) 2.300 0.700 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.44717E-02 ppm1 4.217 ppm2 1.543 CV 1 ASSI { 1830} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB3 )) 2.600 0.800 0.800 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.20514E-02 ppm1 4.216 ppm2 1.346 CV 1 ASSI { 1832} (( segid " " and resid 40 and name HB3 )) ( segid " " and resid 40 and name HD1%) 2.500 0.800 0.800 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.41908E-02 ppm1 1.547 ppm2 0.844 CV 1 ASSI { 1833} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD1%) 3.200 1.300 1.300 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.48374E-02 ppm1 1.698 ppm2 0.845 CV 1 ASSI { 1834} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD2%) 2.900 1.100 1.100 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.90483E-02 ppm1 4.218 ppm2 0.735 CV 1 ASSI { 1836} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 40 and name HD1%) 1.800 0.400 0.400 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.34273E-01 ppm1 0.737 ppm2 0.842 CV 1 ASSI { 1838} ( segid " " and resid 39 and name HB% ) ( segid " " and resid 32 and name HD1%) 2.300 0.700 0.700 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.74168E-02 ppm1 1.110 ppm2 0.110 CV 1 ASSI { 1839} ( segid " " and resid 39 and name HB% ) ( segid " " and resid 40 and name HD1%) 2.400 0.700 0.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.93902E-02 ppm1 1.109 ppm2 0.848 CV 1 ASSI { 1841} (( segid " " and resid 39 and name HA )) ( segid " " and resid 10 and name HG2%) 3.000 1.100 1.100 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.25625E-02 ppm1 4.022 ppm2 0.862 CV 1 ASSI { 1844} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 36 and name HB )) 2.400 0.700 0.700 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.49356E-02 ppm1 1.109 ppm2 1.866 CV 1 ASSI { 1845} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 33 and name HB3 )) 3.300 1.400 1.400 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.48374E-02 ppm1 1.108 ppm2 1.689 CV 1 ASSI { 1847} (( segid " " and resid 39 and name HA )) (( segid " " and resid 10 and name HG13)) 5.000 3.100 1.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 4.020 ppm2 1.580 CV 1 ASSI { 1848} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 18 and name HB2 )) 3.300 1.400 1.400 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.82394E-02 ppm1 1.105 ppm2 1.587 CV 1 ASSI { 1849} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 18 and name HB3 )) 2.300 0.600 0.600 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.74946E-02 ppm1 1.106 ppm2 1.455 CV 1 ASSI { 1850} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 18 and name HG2 )) 2.500 0.800 0.800 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.83782E-02 ppm1 1.106 ppm2 2.025 CV 1 ASSI { 1851} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 20 and name HG2 )) 3.100 1.200 1.200 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.25354E-02 ppm1 1.105 ppm2 2.355 CV 1 ASSI { 1852} ( segid " " and resid 3 and name HB% ) (( segid " " and resid -1 and name HB2 )) 1.900 1.900 4.100 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.49185E-02 ppm1 1.106 ppm2 3.103 CV 1 ASSI { 1853} ( segid " " and resid 3 and name HB% ) (( segid " " and resid -1 and name HB3 )) 2.900 1.100 1.100 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.21225E-02 ppm1 1.108 ppm2 2.986 CV 1 ASSI { 1854} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 2 and name HA )) 3.300 1.300 1.300 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.55313E-02 ppm1 1.106 ppm2 4.110 CV 1 ASSI { 1855} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 21 and name HD3 )) 3.800 1.800 1.800 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.29348E-02 ppm1 1.106 ppm2 3.812 CV 1 ASSI { 1856} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 33 and name HA )) 2.600 0.800 0.800 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.54840E-02 ppm1 1.109 ppm2 3.557 CV 1 ASSI { 1857} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 39 and name HA )) 2.000 0.500 0.500 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.11347E-01 ppm1 1.110 ppm2 4.021 CV 1 ASSI { 1859} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.34731E-02 ppm1 1.106 ppm2 4.655 CV 1 ASSI { 1860} ( segid " " and resid 3 and name HB% ) (( segid " " and resid -1 and name HA )) 3.400 1.500 1.500 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.15944E-02 ppm1 1.110 ppm2 4.522 CV 1 ASSI { 1861} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 3 and name HA )) 2.000 0.500 0.500 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.14729E-01 ppm1 1.105 ppm2 4.278 CV 1 ASSI { 1862} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 18 and name HA )) 3.900 1.900 1.900 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.22612E-02 ppm1 1.104 ppm2 5.261 CV 1 ASSI { 1864} ( segid " " and resid 39 and name HB% ) ( segid " " and resid 81 and name HE% ) 2.700 0.900 0.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.38589E-02 ppm1 1.109 ppm2 6.309 CV 1 ASSI { 1865} ( segid " " and resid 39 and name HB% ) ( segid " " and resid 81 and name HD% ) 2.900 1.000 1.000 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.25253E-02 ppm1 1.109 ppm2 6.812 CV 1 ASSI { 1866} (( segid " " and resid 39 and name HA )) ( segid " " and resid 81 and name HD% ) 3.000 1.100 1.100 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 4.024 ppm2 6.809 CV 1 ASSI { 1867} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 18 and name HE22)) 4.300 2.400 1.700 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 1.104 ppm2 6.681 CV 1 ASSI { 1868} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 40 and name H )) 2.200 0.600 0.600 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.44345E-02 ppm1 1.110 ppm2 7.370 CV 1 ASSI { 1870} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 18 and name HE21)) 3.900 1.900 1.900 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.35612E-02 ppm1 1.106 ppm2 7.209 CV 1 ASSI { 1871} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 75 and name HD22)) 3.900 1.900 1.900 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 1.105 ppm2 7.054 CV 1 ASSI { 1872} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 33 and name HE )) 3.700 1.800 1.800 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 1.108 ppm2 7.660 CV 1 ASSI { 1873} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 39 and name H )) 2.100 0.600 0.600 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.11384E-01 ppm1 1.110 ppm2 7.999 CV 1 ASSI { 1874} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name H )) 2.600 0.900 0.900 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.29686E-02 ppm1 4.022 ppm2 8.001 CV 1 ASSI { 1875} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 19 and name H )) 3.000 1.100 1.100 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.40181E-02 ppm1 1.106 ppm2 8.835 CV 1 ASSI { 1876} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 4 and name H )) 2.600 0.800 0.800 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.10930E-01 ppm1 1.105 ppm2 8.731 CV 1 ASSI { 1877} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 20 and name H )) 4.000 2.000 2.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 1.107 ppm2 9.211 CV 1 ASSI { 1878} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 38 and name H )) 4.300 2.300 1.700 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 1.109 ppm2 9.459 CV 1 ASSI { 1879} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name H )) 2.700 0.900 0.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.37202E-02 ppm1 3.925 ppm2 9.459 CV 1 ASSI { 1883} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 38 and name H )) 3.200 1.300 1.300 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 2.229 ppm2 9.454 CV 1 ASSI { 1884} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name H )) 3.800 1.800 1.800 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 2.435 ppm2 9.461 CV 1 ASSI { 1885} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 39 and name H )) 4.700 2.800 1.300 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 2.411 ppm2 8.020 CV 1 ASSI { 1886} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name H )) 3.200 1.300 1.300 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 3.924 ppm2 8.003 CV 1 ASSI { 1889} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 22 and name H )) 3.600 1.600 1.600 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.67702E-03 ppm1 1.908 ppm2 7.376 CV 1 ASSI { 1890} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 183 and name H )) 3.700 1.700 1.700 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 2.226 ppm2 7.159 CV 1 ASSI { 1893} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.28841E-02 ppm1 2.431 ppm2 3.920 CV 1 ASSI { 1895} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HG2 )) 1.900 0.500 0.500 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.82970E-02 ppm1 2.430 ppm2 2.233 CV 1 ASSI { 1896} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HB3 )) 2.800 1.000 1.000 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.29485E-02 ppm1 2.427 ppm2 1.914 CV 1 ASSI { 1897} (( segid " " and resid 38 and name HG3 )) (( segid " " and resid 38 and name HB2 )) 3.000 1.100 1.100 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.28603E-02 ppm1 2.428 ppm2 1.792 CV 1 ASSI { 1898} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 38 and name HB2 )) 2.800 1.000 1.000 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 2.231 ppm2 1.793 CV 1 ASSI { 1900} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 182 and name HG2 )) 2.000 0.500 0.500 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.59205E-02 ppm1 2.224 ppm2 2.565 CV 1 ASSI { 1905} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HG2 )) 3.200 1.300 1.300 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 1.922 ppm2 2.233 CV 1 ASSI { 1906} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HB3 )) 1.900 0.400 0.400 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.39571E-02 ppm1 1.901 ppm2 2.127 CV 1 ASSI { 1908} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG2 )) 3.100 1.200 1.200 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.43735E-02 ppm1 3.924 ppm2 2.237 CV 1 ASSI { 1909} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB3 )) 2.600 0.900 0.900 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.40385E-02 ppm1 3.925 ppm2 1.921 CV 1 ASSI { 1910} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) 2.900 1.100 1.100 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.38827E-02 ppm1 3.924 ppm2 1.790 CV 1 ASSI { 1911} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HB2 )) 2.300 0.600 0.600 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.25524E-02 ppm1 1.922 ppm2 1.788 CV 1 ASSI { 1913} (( segid " " and resid 182 and name HG3 )) ( segid " " and resid 179 and name HG2%) 5.000 3.100 1.000 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.75827E-03 ppm1 2.226 ppm2 1.180 CV 1 ASSI { 1920} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 10 and name HD1%) 3.700 1.700 1.700 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.922 ppm2 0.684 CV 1 ASSI { 1921} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 10 and name HD1%) 3.500 1.500 1.500 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 1.792 ppm2 0.680 CV 1 ASSI { 1922} (( segid " " and resid 38 and name HG2 )) ( segid " " and resid 13 and name HG1%) 3.500 1.600 1.600 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 2.225 ppm2 0.907 CV 1 ASSI { 1925} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 40 and name HD1%) 4.100 2.100 1.900 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 1.815 ppm2 0.841 CV 1 ASSI { 1926} (( segid " " and resid 37 and name HD2 )) ( segid " " and resid 36 and name HG2%) 3.500 1.500 1.500 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 3.752 ppm2 0.840 CV 1 OR { 1926} (( segid " " and resid 37 and name HD3 )) ( segid " " and resid 36 and name HG2%) ASSI { 1927} (( segid " " and resid 37 and name HD2 )) ( segid " " and resid 10 and name HD1%) 4.200 2.200 1.800 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 3.741 ppm2 0.669 CV 1 ASSI { 1929} (( segid " " and resid 37 and name HG2 )) ( segid " " and resid 40 and name HD2%) 4.700 2.800 1.300 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.76843E-03 ppm1 2.034 ppm2 0.736 CV 1 ASSI { 1930} (( segid " " and resid 37 and name HG3 )) ( segid " " and resid 36 and name HG2%) 5.100 3.200 0.900 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 1.911 ppm2 0.848 CV 1 ASSI { 1931} (( segid " " and resid 37 and name HG3 )) ( segid " " and resid 40 and name HD2%) 5.000 3.100 1.000 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 1.899 ppm2 0.743 CV 1 ASSI { 1932} (( segid " " and resid 37 and name HA )) ( segid " " and resid 40 and name HD2%) 3.800 1.800 1.800 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 4.157 ppm2 0.732 CV 1 ASSI { 1934} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB3 )) 2.400 0.700 0.700 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.50844E-02 ppm1 4.156 ppm2 2.252 CV 1 ASSI { 1936} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HG3 )) 3.700 1.700 1.700 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.29180E-02 ppm1 4.155 ppm2 1.899 CV 1 ASSI { 1937} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.38522E-02 ppm1 4.155 ppm2 1.806 CV 1 ASSI { 1938} (( segid " " and resid 37 and name HA )) (( segid " " and resid 40 and name HG )) 4.000 2.000 2.000 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 4.153 ppm2 1.608 CV 1 ASSI { 1939} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HG2 )) 2.400 0.700 0.700 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.46172E-02 ppm1 1.808 ppm2 2.026 CV 1 ASSI { 1940} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HB3 )) 1.900 0.400 0.400 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.86692E-02 ppm1 1.809 ppm2 2.251 CV 1 ASSI { 1944} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 37 and name HB2 )) 4.100 2.100 1.900 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.16655E-02 ppm1 3.751 ppm2 1.801 CV 1 OR { 1944} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 37 and name HB2 )) ASSI { 1946} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 56 and name HB3 )) 2.300 0.700 0.700 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.82156E-02 ppm1 2.026 ppm2 2.358 CV 1 OR { 1946} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HB3 )) ASSI { 1947} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HB3 )) 3.000 1.200 1.200 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.44006E-02 ppm1 2.027 ppm2 2.253 CV 1 ASSI { 1948} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HB3 )) 2.500 0.800 0.800 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 1.902 ppm2 2.252 CV 1 ASSI { 1950} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HA )) 4.000 2.000 2.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 4.161 ppm2 3.920 CV 1 ASSI { 1951} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HD3 )) 3.600 1.600 1.600 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 4.154 ppm2 3.741 CV 1 OR { 1951} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HD2 )) ASSI { 1952} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HD2 )) 3.400 1.500 1.500 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.23527E-02 ppm1 2.255 ppm2 3.750 CV 1 OR { 1952} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HD3 )) ASSI { 1953} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HD3 )) 3.900 1.900 1.900 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.23933E-02 ppm1 1.808 ppm2 3.749 CV 1 ASSI { 1956} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HA )) 3.600 1.600 1.600 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.32090E-02 ppm1 2.027 ppm2 4.147 CV 1 ASSI { 1957} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HD3 )) 2.500 0.800 0.800 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.51454E-02 ppm1 2.027 ppm2 3.748 CV 1 OR { 1957} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HD2 )) ASSI { 1960} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 36 and name HA )) 5.500 3.800 0.500 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 1.801 ppm2 4.512 CV 1 ASSI { 1963} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 36 and name HA )) 4.700 2.800 1.300 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 2.025 ppm2 4.501 CV 1 ASSI { 1964} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 36 and name HA )) 5.000 3.100 1.000 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 1.909 ppm2 4.511 CV 1 ASSI { 1965} (( segid " " and resid 37 and name HA )) (( segid " " and resid 40 and name H )) 3.900 1.900 1.900 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 4.154 ppm2 7.368 CV 1 ASSI { 1966} (( segid " " and resid 37 and name HA )) (( segid " " and resid 39 and name H )) 3.400 1.500 1.500 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 4.157 ppm2 7.995 CV 1 ASSI { 1967} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HE )) 2.900 1.100 1.100 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.90044E-03 ppm1 1.814 ppm2 7.377 CV 1 OR { 1967} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HE )) ASSI { 1968} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 58 and name H )) 4.400 2.400 1.600 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 1.812 ppm2 8.008 CV 1 ASSI { 1971} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 38 and name H )) 4.600 2.700 1.400 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.83273E-03 ppm1 1.913 ppm2 9.460 CV 1 ASSI { 1972} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 38 and name H )) 3.200 1.300 1.300 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 2.025 ppm2 9.452 CV 1 ASSI { 1974} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 38 and name H )) 3.300 1.400 1.400 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.90044E-03 ppm1 3.750 ppm2 9.452 CV 1 OR { 1974} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 38 and name H )) ASSI { 1975} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name H )) 3.300 1.400 1.400 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 1.804 ppm2 9.458 CV 1 ASSI { 1976} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 38 and name H )) 4.100 2.100 1.900 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 2.252 ppm2 9.457 CV 1 ASSI { 1977} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name H )) 3.100 1.200 1.200 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.16790E-02 ppm1 4.153 ppm2 9.456 CV 1 ASSI { 1978} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 38 and name H )) 2.400 0.700 0.700 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.56362E-02 ppm1 0.834 ppm2 9.458 CV 1 ASSI { 1979} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 38 and name H )) 2.600 2.600 3.400 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 0.662 ppm2 9.459 CV 1 ASSI { 1983} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name H )) 3.600 1.700 1.700 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 0.663 ppm2 7.977 CV 1 ASSI { 1985} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 39 and name H )) 2.500 0.800 0.800 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.62828E-02 ppm1 0.834 ppm2 7.996 CV 1 ASSI { 1986} (( segid " " and resid 36 and name HB )) (( segid " " and resid 35 and name H )) 4.600 2.700 1.400 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.76504E-03 ppm1 1.862 ppm2 7.526 CV 1 ASSI { 1987} (( segid " " and resid 126 and name HG2 )) ( segid " " and resid 199 and name HD% ) 4.200 2.200 1.800 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.14116E-02 ppm1 1.845 ppm2 6.941 CV 1 ASSI { 1988} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 81 and name HD% ) 2.500 2.500 3.500 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 0.665 ppm2 6.816 CV 1 ASSI { 1989} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 35 and name H )) 2.600 2.600 3.400 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.91398E-03 ppm1 0.837 ppm2 7.521 CV 1 ASSI { 1990} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 40 and name H )) 4.300 2.300 1.700 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 0.832 ppm2 7.372 CV 1 ASSI { 1991} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 36 and name HA )) 2.300 0.700 0.700 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.56194E-02 ppm1 0.835 ppm2 4.505 CV 1 ASSI { 1992} (( segid " " and resid 36 and name HG13)) (( segid " " and resid 36 and name HA )) 3.400 1.500 1.500 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 1.492 ppm2 4.501 CV 1 ASSI { 1993} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HA )) 3.700 1.700 1.700 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.28774E-02 ppm1 0.661 ppm2 4.503 CV 1 ASSI { 1995} (( segid " " and resid 36 and name HB )) (( segid " " and resid 37 and name HD2 )) 4.600 2.600 1.400 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 1.857 ppm2 3.764 CV 1 ASSI { 1996} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HD2 )) 2.400 0.700 0.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.41435E-02 ppm1 4.508 ppm2 3.749 CV 1 OR { 1996} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HD3 )) ASSI { 1997} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 37 and name HD2 )) 2.300 2.300 3.700 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 0.661 ppm2 3.750 CV 1 ASSI { 1998} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 33 and name HA )) 2.400 2.400 3.600 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 0.662 ppm2 3.556 CV 1 ASSI { 1999} (( segid " " and resid 36 and name HG13)) (( segid " " and resid 37 and name HD2 )) 4.900 3.100 1.100 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 1.475 ppm2 3.722 CV 1 ASSI { 2000} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 39 and name HA )) 4.300 2.300 1.700 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 0.832 ppm2 4.025 CV 1 ASSI { 2001} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 38 and name HA )) 3.900 1.900 1.900 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.21902E-02 ppm1 0.833 ppm2 3.925 CV 1 ASSI { 2002} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 37 and name HD2 )) 2.900 1.000 1.000 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.45260E-02 ppm1 0.835 ppm2 3.751 CV 1 ASSI { 2003} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 15 and name HE3 )) 3.600 1.600 1.600 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.75489E-03 ppm1 0.834 ppm2 2.813 CV 1 ASSI { 2004} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 32 and name HA )) 3.600 1.600 1.600 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.18313E-02 ppm1 0.664 ppm2 3.229 CV 1 ASSI { 2006} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB )) 2.900 1.100 1.100 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.18381E-02 ppm1 4.513 ppm2 1.892 CV 1 ASSI { 2007} (( segid " " and resid 36 and name HB )) (( segid " " and resid 36 and name HG13)) 2.700 0.900 0.900 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.14658E-02 ppm1 1.866 ppm2 1.479 CV 1 ASSI { 2008} (( segid " " and resid 189 and name HG2 )) (( segid " " and resid 189 and name HG3 )) 2.100 0.600 0.600 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.32227E-02 ppm1 1.857 ppm2 1.992 CV 1 ASSI { 2009} (( segid " " and resid 36 and name HB )) (( segid " " and resid 35 and name HG3 )) 4.000 2.000 2.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.14590E-02 ppm1 1.863 ppm2 1.682 CV 1 OR { 2009} (( segid " " and resid 36 and name HB )) (( segid " " and resid 35 and name HG2 )) ASSI { 2010} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 15 and name HB3 )) 3.200 1.300 1.300 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.41840E-02 ppm1 0.835 ppm2 1.685 CV 1 ASSI { 2011} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 10 and name HG13)) 3.300 1.300 1.300 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.36256E-02 ppm1 0.836 ppm2 1.579 CV 1 ASSI { 2012} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 36 and name HG13)) 3.200 1.200 1.200 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.46849E-02 ppm1 0.834 ppm2 1.479 CV 1 ASSI { 2013} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 36 and name HB )) 2.100 0.500 0.500 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.92346E-02 ppm1 0.834 ppm2 1.874 CV 1 ASSI { 2014} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 38 and name HG2 )) 3.300 1.300 1.300 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.19803E-02 ppm1 0.833 ppm2 2.237 CV 1 ASSI { 2015} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 37 and name HG2 )) 4.100 2.100 1.900 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.18821E-02 ppm1 0.835 ppm2 2.021 CV 1 ASSI { 2016} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 8 and name HB )) 2.600 0.800 0.800 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.39672E-02 ppm1 0.661 ppm2 2.071 CV 1 ASSI { 2017} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 15 and name HB3 )) 2.200 0.600 0.600 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.10836E-01 ppm1 0.662 ppm2 1.677 CV 1 ASSI { 2021} (( segid " " and resid 36 and name HB )) ( segid " " and resid 32 and name HG2%) 4.100 2.100 1.900 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 1.863 ppm2 0.753 CV 1 ASSI { 2024} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 36 and name HG2%) 1.900 0.400 0.400 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.20453E-01 ppm1 0.663 ppm2 0.840 CV 1 ASSI { 2026} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 39 and name HB% ) 2.900 1.000 1.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.53010E-02 ppm1 0.835 ppm2 1.109 CV 1 ASSI { 2028} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 32 and name HD1%) 2.300 0.700 0.700 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.76233E-02 ppm1 0.662 ppm2 0.110 CV 1 ASSI { 2030} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 32 and name HD1%) 3.600 1.600 1.600 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 0.834 ppm2 0.113 CV 1 ASSI { 2031} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HG12)) 4.800 2.900 1.200 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 4.334 ppm2 0.855 CV 1 ASSI { 2033} (( segid " " and resid 91 and name HD2 )) ( segid " " and resid 97 and name HG1%) 4.600 2.600 1.400 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.15165E-02 ppm1 2.993 ppm2 0.818 CV 1 ASSI { 2039} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HD3 )) 4.200 2.200 1.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 1.885 ppm2 3.106 CV 1 ASSI { 2041} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HD3 )) 4.200 2.200 1.800 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.60592E-03 ppm1 1.705 ppm2 3.120 CV 1 ASSI { 2042} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 35 and name HD2 )) 1.300 0.200 0.900 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.38018E-01 ppm1 3.119 ppm2 3.010 CV 1 ASSI { 2044} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 34 and name HG3 )) 4.200 2.200 1.800 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.78197E-03 ppm1 3.006 ppm2 2.415 CV 1 ASSI { 2045} (( segid " " and resid 8 and name HG13)) (( segid " " and resid 81 and name HB2 )) 3.900 1.900 1.900 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 1.648 ppm2 2.428 CV 1 ASSI { 2048} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HD2 )) 2.400 0.700 0.700 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.45937E-02 ppm1 1.647 ppm2 3.004 CV 1 OR { 2048} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HD2 )) ASSI { 2049} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HD2 )) 4.000 2.000 2.000 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 1.683 ppm2 3.653 CV 1 ASSI { 2052} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 35 and name HA )) 3.800 1.800 1.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.43295E-02 ppm1 3.119 ppm2 4.327 CV 1 ASSI { 2053} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name HA )) 3.200 1.300 1.300 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.39098E-02 ppm1 3.009 ppm2 4.326 CV 1 ASSI { 2057} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 35 and name H )) 3.500 1.600 1.600 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 3.116 ppm2 7.519 CV 1 ASSI { 2058} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name H )) 2.700 0.900 0.900 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.15470E-02 ppm1 3.009 ppm2 7.523 CV 1 ASSI { 2059} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name H )) 2.300 0.600 0.600 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.33175E-02 ppm1 1.650 ppm2 7.520 CV 1 OR { 2059} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name H )) ASSI { 2060} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 36 and name H )) 4.400 2.400 1.600 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.75827E-03 ppm1 1.684 ppm2 7.970 CV 1 ASSI { 2061} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 32 and name H )) 4.100 2.100 1.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.25998E-02 ppm1 0.111 ppm2 8.091 CV 1 ASSI { 2065} (( segid " " and resid 32 and name HG13)) (( segid " " and resid 32 and name H )) 4.500 2.600 1.500 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.72103E-03 ppm1 0.982 ppm2 8.092 CV 1 OR { 2065} (( segid " " and resid 32 and name HG12)) (( segid " " and resid 32 and name H )) ASSI { 2066} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name H )) 2.500 0.800 0.800 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 0.737 ppm2 8.087 CV 1 ASSI { 2067} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 29 and name H )) 4.200 2.200 1.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 0.743 ppm2 8.212 CV 1 ASSI { 2068} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 33 and name H )) 4.400 2.400 1.600 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 0.113 ppm2 7.459 CV 1 ASSI { 2069} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 33 and name H )) 2.700 0.900 0.900 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 0.734 ppm2 7.456 CV 1 ASSI { 2071} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 19 and name HZ )) 3.500 1.500 1.500 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 0.737 ppm2 6.966 CV 1 ASSI { 2072} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 81 and name HD% ) 2.600 0.800 0.800 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.26911E-02 ppm1 0.109 ppm2 6.812 CV 1 ASSI { 2076} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 81 and name HA )) 4.400 2.400 1.600 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 0.736 ppm2 5.424 CV 1 ASSI { 2077} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 28 and name HA )) 3.700 1.700 1.700 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 0.746 ppm2 4.221 CV 1 ASSI { 2078} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 29 and name HA )) 2.400 0.700 0.700 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 0.737 ppm2 3.928 CV 1 ASSI { 2079} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 39 and name HA )) 4.300 2.300 1.700 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 0.108 ppm2 4.009 CV 1 ASSI { 2080} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 29 and name HA )) 4.100 2.100 1.900 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 0.115 ppm2 3.926 CV 1 ASSI { 2081} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 33 and name HA )) 4.300 2.300 1.700 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 0.112 ppm2 3.557 CV 1 ASSI { 2082} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 32 and name HA )) 3.300 1.300 1.300 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.45089E-02 ppm1 0.111 ppm2 3.227 CV 1 ASSI { 2083} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 81 and name HB3 )) 3.500 1.500 1.500 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 0.111 ppm2 3.106 CV 1 ASSI { 2084} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 32 and name HA )) 4.700 2.700 1.300 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 1.960 ppm2 3.223 CV 1 ASSI { 2085} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HA )) 3.300 1.300 1.300 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.28976E-02 ppm1 0.738 ppm2 3.225 CV 1 ASSI { 2086} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 81 and name HB3 )) 4.600 2.600 1.400 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 0.738 ppm2 3.099 CV 1 ASSI { 2087} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 29 and name HB2 )) 4.600 2.600 1.400 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 0.741 ppm2 2.990 CV 1 ASSI { 2088} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 81 and name HB2 )) 3.100 1.200 1.200 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 0.111 ppm2 2.442 CV 1 ASSI { 2089} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 81 and name HB2 )) 3.900 1.900 1.900 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.12119E-02 ppm1 0.739 ppm2 2.447 CV 1 ASSI { 2090} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HB )) 4.200 2.200 1.800 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 3.234 ppm2 1.873 CV 1 ASSI { 2091} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB )) 3.200 1.300 1.300 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 3.240 ppm2 1.589 CV 1 ASSI { 2092} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HG13)) 3.100 1.200 1.200 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 3.242 ppm2 0.981 CV 1 OR { 2092} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HG12)) ASSI { 2093} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 8 and name HB )) 4.000 2.000 2.000 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 0.111 ppm2 2.072 CV 1 ASSI { 2094} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 36 and name HB )) 3.100 1.200 1.200 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.27148E-02 ppm1 0.114 ppm2 1.881 CV 1 ASSI { 2095} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 8 and name HG13)) 2.200 0.600 0.600 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.46376E-02 ppm1 0.112 ppm2 1.682 CV 1 ASSI { 2097} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 36 and name HG13)) 3.500 1.600 1.600 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.28063E-02 ppm1 0.111 ppm2 1.489 CV 1 ASSI { 2098} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 31 and name HB2 )) 3.400 1.400 1.400 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.43838E-02 ppm1 0.737 ppm2 1.960 CV 1 ASSI { 2099} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 33 and name HB2 )) 4.100 2.100 1.900 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.12119E-02 ppm1 0.739 ppm2 1.786 CV 1 ASSI { 2101} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HB )) 2.300 0.700 0.700 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.39300E-02 ppm1 0.737 ppm2 1.565 CV 1 ASSI { 2102} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 39 and name HB% ) 3.400 1.500 1.500 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 0.735 ppm2 1.105 CV 1 ASSI { 2103} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HG12)) 2.300 0.700 0.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.50811E-02 ppm1 0.739 ppm2 0.991 CV 1 OR { 2103} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 32 and name HG13)) ASSI { 2104} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 49 and name HD2%) 2.400 0.700 0.700 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.84087E-02 ppm1 0.738 ppm2 0.867 CV 1 ASSI { 2108} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 32 and name HG12)) 2.400 0.700 0.700 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.32260E-02 ppm1 0.111 ppm2 0.984 CV 1 OR { 2108} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 32 and name HG13)) ASSI { 2113} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 32 and name HD1%) 2.200 0.600 0.600 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.80228E-02 ppm1 0.738 ppm2 0.110 CV 1 ASSI { 2115} (( segid " " and resid 32 and name HB )) ( segid " " and resid 32 and name HD1%) 2.900 1.000 1.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 1.568 ppm2 0.115 CV 1 ASSI { 2117} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HG3 )) 1.900 0.400 0.400 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.45260E-02 ppm1 2.574 ppm2 2.242 CV 1 ASSI { 2118} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG2 )) 3.000 1.100 1.100 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 3.875 ppm2 2.722 CV 1 ASSI { 2119} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG3 )) 3.300 1.400 1.400 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.19498E-02 ppm1 3.872 ppm2 2.524 CV 1 ASSI { 2120} (( segid " " and resid 31 and name HA )) (( segid " " and resid 34 and name HG3 )) 4.400 2.400 1.600 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 3.872 ppm2 2.422 CV 1 ASSI { 2121} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB3 )) 2.900 1.100 1.100 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 3.875 ppm2 2.327 CV 1 ASSI { 2123} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name H )) 3.000 1.100 1.100 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 3.870 ppm2 8.330 CV 1 ASSI { 2129} (( segid " " and resid 29 and name HA )) (( segid " " and resid 33 and name H )) 4.600 2.700 1.400 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 3.921 ppm2 7.452 CV 1 ASSI { 2134} (( segid " " and resid 29 and name HA )) ( segid " " and resid 81 and name HD% ) 4.400 2.400 1.600 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 3.926 ppm2 6.823 CV 1 ASSI { 2140} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HB3 )) 2.500 0.800 0.800 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 2.972 ppm2 3.210 CV 1 ASSI { 2141} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB3 )) 3.200 1.300 1.300 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 3.930 ppm2 3.215 CV 1 ASSI { 2142} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 3.100 1.200 1.200 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 3.925 ppm2 2.967 CV 1 ASSI { 2144} (( segid " " and resid 29 and name HA )) (( segid " " and resid 32 and name HB )) 4.000 2.000 2.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 3.929 ppm2 1.570 CV 1 ASSI { 2145} (( segid " " and resid 29 and name HA )) ( segid " " and resid 28 and name HB% ) 3.900 1.900 1.900 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 3.932 ppm2 1.003 CV 1 ASSI { 2151} ( segid " " and resid 28 and name HB% ) ( segid " " and resid 49 and name HD1%) 2.000 0.500 0.500 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.10595E-01 ppm1 1.013 ppm2 0.740 CV 1 ASSI { 2152} ( segid " " and resid 28 and name HB% ) ( segid " " and resid 68 and name HD1%) 2.300 0.700 0.700 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.70105E-02 ppm1 1.013 ppm2 0.307 CV 1 OR { 2152} ( segid " " and resid 28 and name HB% ) ( segid " " and resid 68 and name HD2%) ASSI { 2154} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 68 and name HG )) 3.300 1.400 1.400 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 1.012 ppm2 1.668 CV 1 ASSI { 2155} ( segid " " and resid 28 and name HB% ) ( segid " " and resid 79 and name HE% ) 2.800 1.000 1.000 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.32395E-02 ppm1 1.014 ppm2 1.473 CV 1 ASSI { 2156} ( segid " " and resid 28 and name HB% ) ( segid " " and resid 23 and name HG2%) 2.400 0.700 0.700 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.80905E-02 ppm1 1.013 ppm2 1.365 CV 1 ASSI { 2158} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name HB3 )) 4.800 2.900 1.200 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 4.241 ppm2 2.326 CV 1 ASSI { 2159} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 27 and name HB3 )) 3.700 1.700 1.700 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 1.013 ppm2 2.610 CV 1 ASSI { 2162} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 25 and name HA )) 2.500 0.800 0.800 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.51521E-02 ppm1 1.013 ppm2 3.281 CV 1 ASSI { 2164} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 28 and name HA )) 2.100 0.600 0.600 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.69495E-02 ppm1 1.013 ppm2 4.239 CV 1 ASSI { 2166} ( segid " " and resid 28 and name HB% ) ( segid " " and resid 19 and name HE% ) 2.700 0.900 0.900 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.37202E-02 ppm1 1.013 ppm2 7.122 CV 1 ASSI { 2167} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 19 and name HZ )) 3.600 1.600 1.600 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 1.011 ppm2 6.973 CV 1 ASSI { 2170} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 29 and name H )) 2.600 0.800 0.800 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.35984E-02 ppm1 1.013 ppm2 8.216 CV 1 ASSI { 2171} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 32 and name H )) 4.000 2.000 2.000 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.80905E-03 ppm1 1.014 ppm2 8.102 CV 1 ASSI { 2172} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 28 and name H )) 2.300 0.600 0.600 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.67906E-02 ppm1 1.012 ppm2 8.613 CV 1 ASSI { 2173} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name H )) 3.500 1.500 1.500 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.74473E-03 ppm1 4.249 ppm2 8.337 CV 1 ASSI { 2179} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 26 and name H )) 2.700 0.900 0.900 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.21191E-02 ppm1 3.190 ppm2 8.703 CV 1 ASSI { 2183} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 73 and name H )) 3.400 1.500 1.500 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 3.191 ppm2 6.790 CV 1 ASSI { 2186} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB3 )) 2.700 0.900 0.900 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.34664E-02 ppm1 4.378 ppm2 3.193 CV 1 ASSI { 2187} (( segid " " and resid 26 and name HA )) (( segid " " and resid 64 and name HA )) 4.000 2.000 2.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 4.382 ppm2 3.916 CV 1 ASSI { 2188} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HB3 )) 2.100 0.500 0.500 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.38083E-02 ppm1 2.815 ppm2 3.186 CV 1 ASSI { 2189} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 64 and name HA )) 3.600 1.600 1.600 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 3.184 ppm2 3.912 CV 1 ASSI { 2190} (( segid " " and resid 26 and name HB3 )) (( segid " " and resid 24 and name HG2 )) 3.900 1.900 1.900 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 3.191 ppm2 2.608 CV 1 ASSI { 2191} (( segid " " and resid 26 and name HA )) (( segid " " and resid 24 and name HG2 )) 4.500 2.500 1.500 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 4.387 ppm2 2.608 CV 1 ASSI { 2192} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.900 1.000 1.000 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.26471E-02 ppm1 4.381 ppm2 2.812 CV 1 ASSI { 2200} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 62 and name HD2%) 3.500 1.500 1.500 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.43195E-02 ppm1 0.978 ppm2 -0.163 CV 1 ASSI { 2207} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB )) 3.200 1.300 1.300 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 3.280 ppm2 2.750 CV 1 ASSI { 2209} (( segid " " and resid 25 and name HA )) (( segid " " and resid 64 and name HA )) 4.800 2.900 1.200 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 3.286 ppm2 3.905 CV 1 ASSI { 2211} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 67 and name HA )) 2.600 2.600 3.400 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.21868E-02 ppm1 0.972 ppm2 4.858 CV 1 ASSI { 2214} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 63 and name HA )) 3.300 1.400 1.400 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 0.970 ppm2 4.217 CV 1 ASSI { 2216} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 127 and name HE% ) 2.700 0.900 0.900 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.34529E-02 ppm1 0.960 ppm2 6.638 CV 1 ASSI { 2217} (( segid " " and resid 66 and name HG3 )) ( segid " " and resid 71 and name HE% ) 2.500 0.800 0.800 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.28063E-02 ppm1 0.970 ppm2 6.858 CV 1 OR { 2217} (( segid " " and resid 66 and name HG2 )) ( segid " " and resid 71 and name HE% ) ASSI { 2218} (( segid " " and resid 66 and name HG3 )) ( segid " " and resid 71 and name HD% ) 3.000 1.100 1.100 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 0.972 ppm2 7.239 CV 1 OR { 2218} (( segid " " and resid 66 and name HG2 )) ( segid " " and resid 71 and name HD% ) ASSI { 2220} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name H )) 3.500 1.500 1.500 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.82257E-03 ppm1 3.288 ppm2 8.705 CV 1 ASSI { 2222} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 26 and name H )) 2.900 1.100 1.100 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.29586E-02 ppm1 0.759 ppm2 8.710 CV 1 ASSI { 2223} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 28 and name H )) 3.800 1.800 1.800 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 0.756 ppm2 8.619 CV 1 ASSI { 2225} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 131 and name HE )) 3.400 1.400 1.400 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.20344E-02 ppm1 0.751 ppm2 9.031 CV 1 ASSI { 2226} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name H )) 3.000 1.100 1.100 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 2.734 ppm2 9.447 CV 1 ASSI { 2227} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name H )) 2.900 1.000 1.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 3.287 ppm2 9.460 CV 1 ASSI { 2228} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 25 and name H )) 3.800 1.800 1.800 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.23628E-02 ppm1 0.756 ppm2 9.459 CV 1 ASSI { 2230} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 29 and name H )) 4.600 2.700 1.400 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 1.367 ppm2 8.210 CV 1 ASSI { 2231} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 28 and name H )) 2.500 0.800 0.800 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.40011E-02 ppm1 1.366 ppm2 8.613 CV 1 ASSI { 2232} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name H )) 2.500 0.800 0.800 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.44177E-02 ppm1 1.365 ppm2 9.135 CV 1 ASSI { 2233} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name H )) 2.900 1.000 1.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.40993E-02 ppm1 3.894 ppm2 9.135 CV 1 ASSI { 2234} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name H )) 2.800 1.000 1.000 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.25490E-02 ppm1 1.366 ppm2 7.713 CV 1 ASSI { 2235} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name H )) 2.800 1.000 1.000 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 3.937 ppm2 7.716 CV 1 ASSI { 2236} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name H )) 3.100 1.200 1.200 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 3.895 ppm2 7.719 CV 1 ASSI { 2237} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 19 and name HD% ) 3.000 1.100 1.100 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.35917E-02 ppm1 1.365 ppm2 7.062 CV 1 ASSI { 2238} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 27 and name H )) 3.000 1.200 1.200 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.41670E-02 ppm1 1.366 ppm2 6.724 CV 1 ASSI { 2239} (( segid " " and resid 23 and name HB )) (( segid " " and resid 27 and name H )) 4.700 2.800 1.300 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 3.940 ppm2 6.731 CV 1 ASSI { 2240} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name H )) 4.300 2.300 1.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 3.903 ppm2 6.733 CV 1 ASSI { 2241} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 19 and name HA )) 4.000 2.000 2.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 1.366 ppm2 4.861 CV 1 ASSI { 2242} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HA )) 3.600 1.600 1.600 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 1.368 ppm2 4.704 CV 1 ASSI { 2243} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 27 and name HA )) 4.400 2.400 1.600 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 1.363 ppm2 4.644 CV 1 ASSI { 2244} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 28 and name HA )) 3.000 1.100 1.100 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.23256E-02 ppm1 1.366 ppm2 4.239 CV 1 ASSI { 2245} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HB )) 2.100 0.500 0.500 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.96476E-02 ppm1 1.366 ppm2 3.911 CV 1 OR { 2245} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HA )) ASSI { 2246} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 25 and name HA )) 3.800 1.800 1.800 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 1.366 ppm2 3.286 CV 1 ASSI { 2247} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 27 and name HB3 )) 2.200 0.600 0.600 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.69361E-02 ppm1 1.367 ppm2 2.603 CV 1 ASSI { 2248} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name HB3 )) 3.500 1.500 1.500 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 3.903 ppm2 2.611 CV 1 OR { 2248} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name HB2 )) ASSI { 2251} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 20 and name HB2 )) 4.000 2.000 2.000 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 1.365 ppm2 1.885 CV 1 ASSI { 2252} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 68 and name HG )) 2.900 1.100 1.100 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 1.367 ppm2 1.679 CV 1 ASSI { 2253} (( segid " " and resid 23 and name HB )) (( segid " " and resid 68 and name HG )) 4.400 2.400 1.600 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.56871E-03 ppm1 3.940 ppm2 1.661 CV 1 ASSI { 2254} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HG2%) 2.600 0.800 0.800 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 3.931 ppm2 1.367 CV 1 ASSI { 2255} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HG2%) 3.100 1.200 1.200 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.40758E-02 ppm1 3.895 ppm2 1.365 CV 1 ASSI { 2257} (( segid " " and resid 23 and name HB )) ( segid " " and resid 28 and name HB% ) 4.800 2.800 1.200 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.56532E-03 ppm1 3.943 ppm2 1.008 CV 1 ASSI { 2258} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 49 and name HD1%) 4.200 2.300 1.800 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.16993E-02 ppm1 1.366 ppm2 0.731 CV 1 ASSI { 2259} (( segid " " and resid 23 and name HA )) ( segid " " and resid 28 and name HB% ) 5.000 3.100 1.000 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 3.904 ppm2 1.003 CV 1 ASSI { 2260} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 68 and name HD1%) 2.700 0.900 0.900 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.36863E-02 ppm1 1.365 ppm2 0.320 CV 1 ASSI { 2261} (( segid " " and resid 23 and name HA )) ( segid " " and resid 68 and name HD1%) 5.000 3.100 1.000 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 3.899 ppm2 0.302 CV 1 OR { 2261} (( segid " " and resid 23 and name HA )) ( segid " " and resid 68 and name HD2%) ASSI { 2262} (( segid " " and resid 23 and name HB )) ( segid " " and resid 68 and name HD1%) 3.900 1.900 1.900 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 3.941 ppm2 0.326 CV 1 ASSI { 2267} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HB3 )) 2.000 0.500 0.500 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.72847E-02 ppm1 3.801 ppm2 4.036 CV 1 ASSI { 2268} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.41096E-02 ppm1 4.039 ppm2 4.320 CV 1 ASSI { 2270} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.40825E-02 ppm1 4.321 ppm2 3.797 CV 1 ASSI { 2272} (( segid " " and resid 22 and name HA )) (( segid " " and resid 67 and name HA )) 4.600 2.600 1.400 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.57210E-03 ppm1 4.316 ppm2 4.849 CV 1 ASSI { 2274} (( segid " " and resid 22 and name HB3 )) (( segid " " and resid 22 and name H )) 3.400 1.400 1.400 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 4.041 ppm2 7.386 CV 1 ASSI { 2275} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name H )) 3.000 1.100 1.100 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.22071E-02 ppm1 4.321 ppm2 7.382 CV 1 ASSI { 2277} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name H )) 4.300 2.300 1.700 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.73119E-03 ppm1 3.804 ppm2 7.716 CV 1 ASSI { 2278} (( segid " " and resid 22 and name HA )) (( segid " " and resid 69 and name H )) 3.400 1.500 1.500 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 4.327 ppm2 8.103 CV 1 ASSI { 2280} (( segid " " and resid 72 and name HG3 )) (( segid " " and resid 72 and name H )) 2.400 0.700 0.700 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.45226E-02 ppm1 2.341 ppm2 7.827 CV 1 ASSI { 2283} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 22 and name H )) 4.200 2.200 1.800 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.73796E-03 ppm1 3.811 ppm2 7.376 CV 1 ASSI { 2284} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 22 and name H )) 4.600 2.700 1.400 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 1.950 ppm2 7.379 CV 1 ASSI { 2285} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name H )) 3.400 1.400 1.400 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.87335E-03 ppm1 2.153 ppm2 7.379 CV 1 ASSI { 2286} (( segid " " and resid 72 and name HG3 )) (( segid " " and resid 73 and name H )) 2.400 2.400 3.600 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 2.339 ppm2 6.775 CV 1 ASSI { 2287} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 73 and name H )) 2.400 2.400 3.600 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 2.279 ppm2 6.777 CV 1 ASSI { 2289} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 20 and name HA )) 2.900 1.000 1.000 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 3.809 ppm2 4.656 CV 1 ASSI { 2290} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 20 and name HA )) 4.700 2.700 1.300 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 2.136 ppm2 4.650 CV 1 ASSI { 2292} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.55483E-02 ppm1 2.278 ppm2 4.079 CV 1 ASSI { 2293} (( segid " " and resid -2 and name HB3 )) (( segid " " and resid -2 and name HA )) 2.100 0.500 0.500 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.13314E-01 ppm1 2.093 ppm2 4.252 CV 1 ASSI { 2294} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HA )) 3.900 1.900 1.900 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 3.903 ppm2 4.102 CV 1 ASSI { 2295} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 22 and name HA )) 4.100 2.100 1.900 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 2.152 ppm2 4.281 CV 1 ASSI { 2296} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HA )) 3.900 1.900 1.900 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 2.150 ppm2 4.101 CV 1 ASSI { 2299} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HD3 )) 1.900 0.400 0.400 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.39031E-02 ppm1 3.877 ppm2 3.805 CV 1 ASSI { 2300} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HD2 )) 2.400 0.700 0.700 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.29384E-02 ppm1 2.149 ppm2 3.874 CV 1 ASSI { 2301} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HD3 )) 3.100 1.200 1.200 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 2.146 ppm2 3.817 CV 1 ASSI { 2302} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HD3 )) 2.600 0.800 0.800 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.26234E-02 ppm1 1.947 ppm2 3.856 CV 1 OR { 2302} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HD2 )) ASSI { 2303} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB3 )) 2.500 0.800 0.800 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.29686E-02 ppm1 4.103 ppm2 2.343 CV 1 ASSI { 2304} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) 3.100 1.200 1.200 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.24407E-02 ppm1 4.103 ppm2 2.104 CV 1 ASSI { 2305} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG3 )) 3.600 1.600 1.600 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.22511E-02 ppm1 4.103 ppm2 1.947 CV 1 ASSI { 2309} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 21 and name HB3 )) 3.200 1.300 1.300 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 3.804 ppm2 2.354 CV 1 ASSI { 2311} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HG3 )) 1.800 0.400 0.400 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.78840E-02 ppm1 2.148 ppm2 1.944 CV 1 ASSI { 2312} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HG2 )) 1.900 0.400 0.400 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.83037E-02 ppm1 1.948 ppm2 2.140 CV 1 OR { 2312} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HB2 )) ASSI { 2313} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HB3 )) 3.100 1.200 1.200 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.35747E-02 ppm1 2.149 ppm2 2.342 CV 1 ASSI { 2316} (( segid " " and resid -2 and name HB3 )) (( segid " " and resid -2 and name HG2 )) 2.900 1.000 1.000 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.52943E-02 ppm1 2.089 ppm2 1.699 CV 1 ASSI { 2317} (( segid " " and resid -2 and name HB3 )) (( segid " " and resid -2 and name HB2 )) 1.400 0.300 0.800 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.41610E-01 ppm1 2.093 ppm2 1.600 CV 1 ASSI { 2318} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 4 and name HG )) 3.700 1.700 1.700 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 3.825 ppm2 1.483 CV 1 ASSI { 2319} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 4 and name HG )) 3.900 1.900 1.900 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 1.940 ppm2 1.475 CV 1 ASSI { 2320} (( segid " " and resid 21 and name HD2 )) ( segid " " and resid 3 and name HB% ) 4.600 2.700 1.400 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 3.884 ppm2 1.101 CV 1 ASSI { 2323} (( segid " " and resid 21 and name HG3 )) ( segid " " and resid 2 and name HG1%) 3.600 1.600 1.600 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 1.948 ppm2 0.864 CV 1 OR { 2323} (( segid " " and resid 21 and name HG3 )) ( segid " " and resid 2 and name HG2%) ASSI { 2324} (( segid " " and resid 21 and name HG3 )) ( segid " " and resid 4 and name HD1%) 3.300 1.400 1.400 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.26166E-02 ppm1 1.951 ppm2 0.702 CV 1 ASSI { 2326} (( segid " " and resid 21 and name HD2 )) ( segid " " and resid 4 and name HD1%) 4.700 2.800 1.300 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 3.888 ppm2 0.695 CV 1 OR { 2326} (( segid " " and resid 21 and name HD2 )) ( segid " " and resid 4 and name HD2%) ASSI { 2327} (( segid " " and resid 21 and name HD3 )) ( segid " " and resid 4 and name HD1%) 3.600 1.600 1.600 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 3.816 ppm2 0.692 CV 1 OR { 2327} (( segid " " and resid 21 and name HD3 )) ( segid " " and resid 4 and name HD2%) ASSI { 2328} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 2 and name HG1%) 5.000 3.200 1.000 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 2.347 ppm2 0.832 CV 1 OR { 2328} (( segid " " and resid 21 and name HB3 )) ( segid " " and resid 2 and name HG2%) ASSI { 2329} (( segid " " and resid 21 and name HA )) (( segid " " and resid 68 and name HB3 )) 4.200 2.200 1.800 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.84965E-03 ppm1 4.105 ppm2 1.102 CV 1 ASSI { 2330} (( segid " " and resid 21 and name HA )) ( segid " " and resid 4 and name HD2%) 2.800 1.000 1.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.33175E-02 ppm1 4.104 ppm2 0.700 CV 1 OR { 2330} (( segid " " and resid 21 and name HA )) ( segid " " and resid 4 and name HD1%) ASSI { 2333} (( segid " " and resid 21 and name HG2 )) ( segid " " and resid 4 and name HD1%) 4.500 2.600 1.500 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 2.147 ppm2 0.704 CV 1 ASSI { 2334} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name H )) 3.900 1.900 1.900 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 2.127 ppm2 9.205 CV 1 ASSI { 2335} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name H )) 2.400 0.700 0.700 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.49118E-02 ppm1 2.364 ppm2 9.212 CV 1 OR { 2335} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name H )) ASSI { 2336} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 22 and name H )) 4.600 2.700 1.400 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 2.367 ppm2 7.380 CV 1 OR { 2336} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 22 and name H )) ASSI { 2337} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 22 and name H )) 3.300 1.400 1.400 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 2.127 ppm2 7.385 CV 1 ASSI { 2338} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HA )) 2.700 0.900 0.900 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.31211E-02 ppm1 2.367 ppm2 4.659 CV 1 OR { 2338} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HA )) ASSI { 2339} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 19 and name HA )) 4.000 2.000 2.000 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 2.368 ppm2 4.844 CV 1 ASSI { 2341} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HD2 )) 2.200 0.600 0.600 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.34325E-02 ppm1 4.670 ppm2 3.890 CV 1 ASSI { 2342} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 21 and name HD2 )) 3.300 1.300 1.300 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.24271E-02 ppm1 2.363 ppm2 3.882 CV 1 ASSI { 2343} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 21 and name HD2 )) 2.600 0.900 0.900 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 2.123 ppm2 3.887 CV 1 ASSI { 2345} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB3 )) 2.600 0.800 0.800 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 4.648 ppm2 2.138 CV 1 ASSI { 2348} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HB2 )) 2.400 0.700 0.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.70310E-02 ppm1 2.362 ppm2 1.894 CV 1 OR { 2348} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HB2 )) ASSI { 2351} (( segid " " and resid 19 and name HA )) ( segid " " and resid 68 and name HD1%) 4.800 2.800 1.200 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 4.851 ppm2 0.325 CV 1 ASSI { 2354} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HB2 )) 2.400 0.700 0.700 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 2.934 ppm2 2.289 CV 1 ASSI { 2355} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 3.300 1.300 1.300 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 4.852 ppm2 2.299 CV 1 ASSI { 2357} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 31 and name HE% ) 5.500 3.800 0.500 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 2.281 ppm2 2.038 CV 1 ASSI { 2359} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB3 )) 2.700 0.900 0.900 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 4.853 ppm2 2.943 CV 1 ASSI { 2365} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 20 and name H )) 4.200 2.200 1.800 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 2.290 ppm2 9.220 CV 1 ASSI { 2369} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name H )) 2.400 0.700 0.700 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.38659E-02 ppm1 4.849 ppm2 9.209 CV 1 ASSI { 2371} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 19 and name H )) 3.300 1.400 1.400 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.46275E-02 ppm1 2.025 ppm2 8.840 CV 1 OR { 2371} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 19 and name H )) ASSI { 2372} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 4 and name H )) 3.700 1.700 1.700 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 2.026 ppm2 8.729 CV 1 OR { 2372} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 4 and name H )) ASSI { 2373} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 102 and name H )) 3.600 1.600 1.600 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 1.593 ppm2 8.836 CV 1 ASSI { 2375} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name H )) 2.400 0.700 0.700 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.37845E-02 ppm1 5.269 ppm2 8.838 CV 1 ASSI { 2376} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 5 and name H )) 3.700 1.700 1.700 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 2.021 ppm2 8.661 CV 1 ASSI { 2377} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 18 and name H )) 3.100 1.200 1.200 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.57478E-02 ppm1 2.027 ppm2 7.663 CV 1 OR { 2377} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 18 and name H )) ASSI { 2379} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name H )) 4.100 2.100 1.900 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 1.449 ppm2 7.663 CV 1 ASSI { 2380} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name H )) 3.100 1.200 1.200 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 5.268 ppm2 7.662 CV 1 ASSI { 2381} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 18 and name HE21)) 2.300 0.600 0.600 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.59104E-02 ppm1 2.024 ppm2 7.207 CV 1 OR { 2381} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 18 and name HE21)) ASSI { 2383} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 75 and name HD22)) 3.800 1.800 1.800 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 2.020 ppm2 7.062 CV 1 OR { 2383} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 75 and name HD22)) ASSI { 2387} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 18 and name HA )) 2.000 0.500 0.500 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.77587E-02 ppm1 2.025 ppm2 5.266 CV 1 ASSI { 2390} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 5 and name HA )) 2.000 0.500 0.500 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.48880E-02 ppm1 2.024 ppm2 4.888 CV 1 ASSI { 2391} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 4 and name HA )) 3.400 1.500 1.500 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.14184E-02 ppm1 2.020 ppm2 4.713 CV 1 OR { 2391} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 4 and name HA )) ASSI { 2392} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 5 and name HA )) 4.900 3.000 1.100 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.74811E-03 ppm1 1.443 ppm2 4.899 CV 1 ASSI { 2393} (( segid " " and resid 18 and name HA )) (( segid " " and resid 5 and name HA )) 2.900 1.000 1.000 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.19160E-02 ppm1 5.269 ppm2 4.885 CV 1 ASSI { 2394} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 17 and name HA )) 3.800 1.800 1.800 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 2.026 ppm2 4.379 CV 1 OR { 2394} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 17 and name HA )) ASSI { 2395} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 3 and name HA )) 4.000 2.000 2.000 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 2.027 ppm2 4.283 CV 1 OR { 2395} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 3 and name HA )) ASSI { 2396} (( segid " " and resid 18 and name HA )) (( segid " " and resid 5 and name HB2 )) 5.500 3.700 0.500 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.61608E-03 ppm1 5.271 ppm2 3.547 CV 1 ASSI { 2397} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 5 and name HB3 )) 3.400 1.400 1.400 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 2.023 ppm2 3.578 CV 1 OR { 2397} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 5 and name HB2 )) OR { 2397} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 5 and name HB3 )) ASSI { 2400} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HG3 )) 2.500 0.800 0.800 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.34155E-02 ppm1 5.270 ppm2 2.024 CV 1 OR { 2400} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HG2 )) ASSI { 2401} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB2 )) 3.100 1.200 1.200 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.23290E-02 ppm1 5.268 ppm2 1.583 CV 1 ASSI { 2402} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 18 and name HB2 )) 2.000 0.500 0.500 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.52299E-02 ppm1 1.448 ppm2 1.588 CV 1 ASSI { 2403} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 18 and name HB2 )) 2.400 0.700 0.700 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.10328E-01 ppm1 2.025 ppm2 1.588 CV 1 OR { 2403} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 18 and name HB2 )) ASSI { 2404} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 18 and name HB3 )) 2.000 0.500 0.500 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.11682E-01 ppm1 2.025 ppm2 1.449 CV 1 OR { 2404} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 18 and name HB3 )) ASSI { 2406} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB3 )) 2.900 1.000 1.000 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.21563E-02 ppm1 5.268 ppm2 1.452 CV 1 ASSI { 2411} (( segid " " and resid 18 and name HG3 )) ( segid " " and resid 16 and name HG2%) 3.200 1.300 1.300 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 2.027 ppm2 0.927 CV 1 ASSI { 2412} (( segid " " and resid 18 and name HG3 )) ( segid " " and resid 6 and name HD1%) 4.500 2.600 1.500 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 2.025 ppm2 0.710 CV 1 OR { 2412} (( segid " " and resid 18 and name HG2 )) ( segid " " and resid 6 and name HD1%) ASSI { 2413} (( segid " " and resid 101 and name HB3 )) ( segid " " and resid 102 and name HG2%) 4.800 2.900 1.200 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 1.570 ppm2 0.702 CV 1 ASSI { 2414} (( segid " " and resid 18 and name HA )) ( segid " " and resid 6 and name HD1%) 4.300 2.300 1.700 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 5.278 ppm2 0.716 CV 1 ASSI { 2415} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name H )) 3.000 1.100 1.100 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 4.383 ppm2 9.139 CV 1 ASSI { 2416} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name H )) 3.100 1.200 1.200 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 1.467 ppm2 9.147 CV 1 OR { 2416} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name H )) ASSI { 2417} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 17 and name H )) 4.800 2.800 1.200 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 1.686 ppm2 9.139 CV 1 ASSI { 2418} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 32 and name H )) 2.900 1.000 1.000 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.37574E-02 ppm1 1.684 ppm2 8.089 CV 1 ASSI { 2419} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 36 and name H )) 4.000 2.000 2.000 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.20480E-02 ppm1 1.682 ppm2 7.977 CV 1 ASSI { 2420} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 31 and name H )) 3.900 1.900 1.900 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.18754E-02 ppm1 1.684 ppm2 8.327 CV 1 ASSI { 2422} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 18 and name H )) 2.900 1.100 1.100 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 1.479 ppm2 7.664 CV 1 ASSI { 2423} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 18 and name H )) 2.900 1.000 1.000 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 1.684 ppm2 7.657 CV 1 ASSI { 2424} (( segid " " and resid 17 and name HB3 )) ( segid " " and resid 19 and name HE% ) 3.100 1.200 1.200 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 1.468 ppm2 7.132 CV 1 OR { 2424} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 19 and name HE% ) ASSI { 2425} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 19 and name HZ )) 3.300 1.400 1.400 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 1.475 ppm2 6.964 CV 1 OR { 2425} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 19 and name HZ )) ASSI { 2426} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 19 and name HE% ) 2.400 0.700 0.700 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.75961E-02 ppm1 1.684 ppm2 7.124 CV 1 ASSI { 2427} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 19 and name HZ )) 2.500 0.800 0.800 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.63639E-02 ppm1 1.685 ppm2 6.967 CV 1 ASSI { 2428} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 17 and name HA )) 3.400 1.400 1.400 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.43634E-02 ppm1 1.683 ppm2 4.368 CV 1 ASSI { 2430} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.29213E-02 ppm1 1.684 ppm2 3.874 CV 1 ASSI { 2431} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 32 and name HA )) 2.200 0.600 0.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.10020E-01 ppm1 1.684 ppm2 3.227 CV 1 ASSI { 2432} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 35 and name HD3 )) 2.300 0.700 0.700 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.50201E-02 ppm1 1.684 ppm2 3.118 CV 1 ASSI { 2433} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 35 and name HD2 )) 3.300 1.400 1.400 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.51216E-02 ppm1 1.683 ppm2 3.010 CV 1 ASSI { 2434} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 31 and name HB3 )) 2.600 0.800 0.800 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.49624E-02 ppm1 1.683 ppm2 2.331 CV 1 ASSI { 2435} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 17 and name HG2 )) 2.600 0.900 0.900 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.10396E-01 ppm1 1.684 ppm2 2.124 CV 1 ASSI { 2437} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 31 and name HB2 )) 2.300 0.700 0.700 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.93633E-02 ppm1 1.684 ppm2 1.983 CV 1 ASSI { 2438} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG2 )) 2.700 0.900 0.900 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.26877E-02 ppm1 1.483 ppm2 2.082 CV 1 OR { 2438} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HG2 )) OR { 2438} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG3 )) OR { 2438} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HG3 )) ASSI { 2443} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HB2 )) 4.200 2.200 1.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 4.380 ppm2 1.586 CV 1 ASSI { 2444} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB3 )) 2.600 0.900 0.900 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.41535E-02 ppm1 4.382 ppm2 1.473 CV 1 OR { 2444} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 2445} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 16 and name HG2%) 4.500 2.600 1.500 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.74811E-03 ppm1 1.464 ppm2 0.933 CV 1 ASSI { 2446} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 8 and name HD1%) 3.500 1.500 1.500 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.18415E-02 ppm1 1.477 ppm2 0.726 CV 1 ASSI { 2447} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 17 and name HB3 )) 1.800 0.400 0.400 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.17240E-01 ppm1 1.684 ppm2 1.471 CV 1 ASSI { 2449} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 32 and name HD1%) 3.200 1.200 1.200 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.59476E-02 ppm1 1.684 ppm2 0.110 CV 1 ASSI { 2452} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name H )) 3.600 1.600 1.600 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.41740E-02 ppm1 0.930 ppm2 8.595 CV 1 ASSI { 2453} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name H )) 2.600 0.900 0.900 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.89671E-02 ppm1 0.930 ppm2 9.138 CV 1 ASSI { 2456} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.35002E-02 ppm1 0.931 ppm2 4.498 CV 1 ASSI { 2457} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HA )) 3.200 1.200 1.200 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.23256E-02 ppm1 0.930 ppm2 4.382 CV 1 ASSI { 2460} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HB )) 2.200 0.600 0.600 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.16709E-01 ppm1 0.931 ppm2 3.867 CV 1 ASSI { 2461} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 5 and name HB3 )) 2.600 0.900 0.900 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.49929E-02 ppm1 0.931 ppm2 3.559 CV 1 ASSI { 2462} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 7 and name HE3 )) 2.200 2.200 3.800 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.20412E-02 ppm1 0.931 ppm2 2.798 CV 1 OR { 2462} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 7 and name HE2 )) ASSI { 2464} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HB2 )) 3.400 1.400 1.400 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.48779E-02 ppm1 0.930 ppm2 1.466 CV 1 OR { 2464} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HB3 )) ASSI { 2465} (( segid " " and resid 16 and name HA )) ( segid " " and resid 16 and name HG2%) 2.800 1.000 1.000 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.31989E-02 ppm1 4.953 ppm2 0.925 CV 1 ASSI { 2468} (( segid " " and resid 14 and name HB )) ( segid " " and resid 14 and name HG2%) 2.300 0.700 0.700 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.85947E-02 ppm1 1.795 ppm2 0.712 CV 1 ASSI { 2471} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 14 and name HB )) 2.000 0.500 0.500 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.22765E-01 ppm1 0.780 ppm2 1.792 CV 1 ASSI { 2472} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 7 and name HB3 )) 3.600 1.600 1.600 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.29790E-02 ppm1 0.778 ppm2 1.336 CV 1 ASSI { 2475} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 9 and name HB2 )) 3.600 1.600 1.600 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.46477E-02 ppm1 0.780 ppm2 3.575 CV 1 ASSI { 2476} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 13 and name HA )) 3.300 1.400 1.400 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.30568E-02 ppm1 0.778 ppm2 4.222 CV 1 ASSI { 2477} (( segid " " and resid 14 and name HB )) (( segid " " and resid 13 and name HA )) 3.600 1.700 1.700 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 1.799 ppm2 4.220 CV 1 ASSI { 2478} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HA )) 4.100 2.100 1.900 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.70749E-03 ppm1 4.981 ppm2 4.230 CV 1 ASSI { 2479} (( segid " " and resid 14 and name HB )) (( segid " " and resid 14 and name HA )) 2.800 1.000 1.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.17027E-02 ppm1 1.796 ppm2 4.993 CV 1 ASSI { 2480} (( segid " " and resid 14 and name HA )) (( segid " " and resid 9 and name HA )) 2.600 0.900 0.900 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.17704E-02 ppm1 4.997 ppm2 5.292 CV 1 ASSI { 2481} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 14 and name HA )) 2.900 1.100 1.100 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.72237E-02 ppm1 0.780 ppm2 4.993 CV 1 ASSI { 2482} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 9 and name HA )) 3.800 1.800 1.800 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.47324E-02 ppm1 0.779 ppm2 5.296 CV 1 ASSI { 2483} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 14 and name H )) 2.100 0.500 0.500 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.87844E-02 ppm1 0.821 ppm2 8.209 CV 1 ASSI { 2484} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 14 and name H )) 2.300 0.700 0.700 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.69971E-02 ppm1 0.779 ppm2 8.208 CV 1 ASSI { 2485} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name H )) 3.600 1.600 1.600 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.49017E-02 ppm1 0.820 ppm2 8.086 CV 1 ASSI { 2487} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name H )) 2.900 1.000 1.000 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.12017E-02 ppm1 4.997 ppm2 8.209 CV 1 ASSI { 2489} (( segid " " and resid 14 and name HB )) (( segid " " and resid 15 and name H )) 4.300 2.300 1.700 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 1.789 ppm2 8.898 CV 1 ASSI { 2490} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 15 and name H )) 3.200 1.300 1.300 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.67162E-02 ppm1 0.780 ppm2 8.892 CV 1 ASSI { 2491} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 186 and name H )) 3.000 1.100 1.100 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.58393E-02 ppm1 0.753 ppm2 8.800 CV 1 ASSI { 2492} (( segid " " and resid 13 and name HB )) (( segid " " and resid 10 and name H )) 4.600 2.600 1.400 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 2.183 ppm2 8.894 CV 1 ASSI { 2493} (( segid " " and resid 13 and name HA )) (( segid " " and resid 10 and name H )) 4.300 2.300 1.700 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.58900E-03 ppm1 4.229 ppm2 8.894 CV 1 ASSI { 2494} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 10 and name H )) 3.000 1.100 1.100 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.24542E-02 ppm1 0.916 ppm2 8.888 CV 1 ASSI { 2495} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 12 and name H )) 4.300 2.300 1.700 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 0.916 ppm2 8.770 CV 1 ASSI { 2496} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 38 and name H )) 4.400 2.400 1.600 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 0.912 ppm2 9.460 CV 1 ASSI { 2497} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 14 and name H )) 3.100 1.200 1.200 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.56429E-02 ppm1 0.915 ppm2 8.209 CV 1 ASSI { 2498} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name H )) 2.100 0.600 0.600 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.12044E-01 ppm1 0.915 ppm2 8.085 CV 1 ASSI { 2501} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name H )) 2.200 0.600 0.600 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.92922E-02 ppm1 4.221 ppm2 8.205 CV 1 ASSI { 2503} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.12102E-01 ppm1 0.915 ppm2 4.219 CV 1 ASSI { 2504} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 9 and name HA )) 4.600 2.700 1.400 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 0.917 ppm2 5.286 CV 1 ASSI { 2505} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 10 and name HA )) 3.600 1.600 1.600 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 0.917 ppm2 4.648 CV 1 ASSI { 2506} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 14 and name HA )) 3.800 1.800 1.800 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 0.822 ppm2 4.992 CV 1 ASSI { 2507} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HA )) 3.700 1.700 1.700 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.18720E-02 ppm1 0.820 ppm2 4.672 CV 1 ASSI { 2508} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 9 and name HA )) 5.100 3.200 0.900 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.90044E-03 ppm1 0.821 ppm2 5.285 CV 1 ASSI { 2509} (( segid " " and resid 13 and name HB )) (( segid " " and resid 13 and name HA )) 2.900 1.100 1.100 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.21157E-02 ppm1 2.181 ppm2 4.220 CV 1 ASSI { 2510} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HA )) 2.400 0.700 0.700 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.10453E-01 ppm1 0.821 ppm2 4.219 CV 1 ASSI { 2512} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 11 and name HA3 )) 4.100 2.100 1.900 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.12017E-02 ppm1 0.914 ppm2 3.664 CV 1 ASSI { 2514} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 15 and name HE2 )) 3.100 1.200 1.200 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.31821E-02 ppm1 0.915 ppm2 2.817 CV 1 ASSI { 2515} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 12 and name HB2 )) 2.000 2.000 4.000 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.38659E-02 ppm1 0.821 ppm2 2.904 CV 1 ASSI { 2516} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HE2 )) 2.500 0.800 0.800 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.54736E-02 ppm1 0.821 ppm2 2.803 CV 1 OR { 2516} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HE3 )) ASSI { 2518} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HB )) 2.000 0.500 0.500 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.17955E-01 ppm1 0.821 ppm2 2.181 CV 1 ASSI { 2519} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 38 and name HG3 )) 3.600 1.600 1.600 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.17602E-02 ppm1 0.823 ppm2 2.426 CV 1 ASSI { 2520} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 38 and name HG3 )) 2.900 1.000 1.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.36323E-02 ppm1 0.915 ppm2 2.428 CV 1 ASSI { 2521} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name HB )) 2.100 0.500 0.500 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.18198E-01 ppm1 0.916 ppm2 2.181 CV 1 ASSI { 2522} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 10 and name HB )) 2.500 0.800 0.800 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.45156E-02 ppm1 0.916 ppm2 1.805 CV 1 ASSI { 2523} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 15 and name HD3 )) 3.800 1.800 1.800 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.18178E-02 ppm1 0.917 ppm2 1.676 CV 1 ASSI { 2524} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 10 and name HG13)) 3.300 1.400 1.400 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.28875E-02 ppm1 0.914 ppm2 1.576 CV 1 ASSI { 2525} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 15 and name HB2 )) 3.400 1.500 1.500 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.24034E-02 ppm1 0.912 ppm2 1.479 CV 1 ASSI { 2526} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 15 and name HG2 )) 2.800 1.000 1.000 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.27014E-02 ppm1 0.912 ppm2 1.312 CV 1 ASSI { 2527} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 15 and name HG3 )) 3.600 1.600 1.600 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.18686E-02 ppm1 0.914 ppm2 1.233 CV 1 ASSI { 2528} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 38 and name HB3 )) 3.200 1.300 1.300 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.18584E-02 ppm1 0.917 ppm2 1.915 CV 1 ASSI { 2529} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HD3 )) 2.900 1.100 1.100 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.36220E-02 ppm1 0.820 ppm2 1.680 CV 1 ASSI { 2531} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HB2 )) 3.600 1.700 1.700 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 0.819 ppm2 1.479 CV 1 ASSI { 2532} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HG2 )) 2.500 0.800 0.800 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.48880E-02 ppm1 0.820 ppm2 1.299 CV 1 ASSI { 2533} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name HG3 )) 3.300 1.300 1.300 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.50539E-02 ppm1 0.821 ppm2 1.242 CV 1 ASSI { 2540} (( segid " " and resid 11 and name HA2 )) (( segid " " and resid 11 and name HA3 )) 2.100 0.600 0.600 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.46309E-02 ppm1 3.962 ppm2 3.675 CV 1 ASSI { 2551} (( segid " " and resid 10 and name HB )) (( segid " " and resid 10 and name H )) 3.100 1.200 1.200 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 1.811 ppm2 8.889 CV 1 ASSI { 2552} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 38 and name H )) 4.100 2.100 1.900 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.96476E-03 ppm1 0.688 ppm2 9.458 CV 1 ASSI { 2553} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name H )) 3.600 1.600 1.600 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.25287E-02 ppm1 0.688 ppm2 8.887 CV 1 ASSI { 2555} (( segid " " and resid 10 and name HG13)) (( segid " " and resid 10 and name H )) 2.800 1.000 1.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 1.583 ppm2 8.883 CV 1 ASSI { 2556} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 11 and name H )) 5.100 3.300 0.900 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 0.685 ppm2 9.107 CV 1 ASSI { 2557} (( segid " " and resid 10 and name HA )) (( segid " " and resid 81 and name H )) 3.700 1.700 1.700 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 4.622 ppm2 8.543 CV 1 ASSI { 2558} (( segid " " and resid 10 and name HG13)) (( segid " " and resid 81 and name H )) 4.000 2.000 2.000 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.61947E-03 ppm1 1.585 ppm2 8.542 CV 1 ASSI { 2559} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 81 and name H )) 4.300 2.300 1.700 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 0.874 ppm2 8.558 CV 1 ASSI { 2560} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name H )) 3.600 1.600 1.600 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.33852E-02 ppm1 0.872 ppm2 8.887 CV 1 ASSI { 2561} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 11 and name H )) 3.300 1.400 1.400 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.28435E-02 ppm1 0.873 ppm2 9.101 CV 1 ASSI { 2563} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 13 and name H )) 4.000 2.000 2.000 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 0.875 ppm2 8.087 CV 1 ASSI { 2564} (( segid " " and resid 10 and name HB )) (( segid " " and resid 13 and name H )) 4.400 2.400 1.600 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.56871E-03 ppm1 1.826 ppm2 8.082 CV 1 ASSI { 2565} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name H )) 3.000 1.100 1.100 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 4.627 ppm2 8.894 CV 1 ASSI { 2566} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 39 and name H )) 3.100 1.200 1.200 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.25727E-02 ppm1 0.688 ppm2 7.997 CV 1 ASSI { 2567} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 81 and name H )) 4.300 2.300 1.700 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.10832E-02 ppm1 0.688 ppm2 8.547 CV 1 ASSI { 2569} ( segid " " and resid 10 and name HG2%) ( segid " " and resid 81 and name HD% ) 3.300 1.300 1.300 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.28299E-02 ppm1 0.872 ppm2 6.812 CV 1 ASSI { 2570} (( segid " " and resid 10 and name HG12)) ( segid " " and resid 81 and name HD% ) 4.000 2.000 2.000 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.10392E-02 ppm1 1.189 ppm2 6.817 CV 1 ASSI { 2571} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 81 and name HD% ) 3.400 1.500 1.500 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.46681E-02 ppm1 0.687 ppm2 6.813 CV 1 ASSI { 2572} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 47 and name HE% ) 4.200 2.300 1.800 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 0.682 ppm2 7.081 CV 1 ASSI { 2574} (( segid " " and resid 10 and name HG13)) ( segid " " and resid 81 and name HD% ) 5.200 3.400 0.800 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.84288E-03 ppm1 1.572 ppm2 6.806 CV 1 ASSI { 2575} ( segid " " and resid 10 and name HG2%) ( segid " " and resid 81 and name HE% ) 4.600 2.600 1.400 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 0.871 ppm2 6.311 CV 1 ASSI { 2576} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 81 and name HE% ) 4.300 2.400 1.700 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 0.684 ppm2 6.309 CV 1 ASSI { 2577} (( segid " " and resid 10 and name HB )) (( segid " " and resid 10 and name HA )) 3.300 1.400 1.400 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 1.820 ppm2 4.620 CV 1 ASSI { 2578} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 4.000 2.000 2.000 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.21022E-02 ppm1 0.689 ppm2 4.622 CV 1 ASSI { 2579} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 36 and name HA )) 4.500 2.600 1.500 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 0.682 ppm2 4.505 CV 1 ASSI { 2580} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 81 and name HA )) 5.000 3.100 1.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.84288E-03 ppm1 0.688 ppm2 5.414 CV 1 ASSI { 2581} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 9 and name HA )) 4.800 2.900 1.200 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.73119E-03 ppm1 0.688 ppm2 5.292 CV 1 ASSI { 2582} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HA )) 4.300 2.300 1.700 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 0.685 ppm2 4.979 CV 1 ASSI { 2583} (( segid " " and resid 10 and name HG12)) (( segid " " and resid 10 and name HA )) 2.900 1.100 1.100 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 1.187 ppm2 4.615 CV 1 ASSI { 2584} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HA )) 2.600 0.800 0.800 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.48407E-02 ppm1 0.872 ppm2 4.622 CV 1 ASSI { 2585} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 9 and name HA )) 5.000 3.100 1.000 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 0.868 ppm2 5.303 CV 1 ASSI { 2587} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 39 and name HA )) 2.200 0.600 0.600 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.39166E-02 ppm1 0.689 ppm2 4.020 CV 1 ASSI { 2588} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 81 and name HB3 )) 3.800 1.800 1.800 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 0.872 ppm2 3.101 CV 1 ASSI { 2589} (( segid " " and resid 10 and name HG12)) (( segid " " and resid 81 and name HB3 )) 2.700 0.900 0.900 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 1.194 ppm2 3.113 CV 1 ASSI { 2590} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 81 and name HB3 )) 3.000 1.200 1.200 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.24102E-02 ppm1 0.688 ppm2 3.101 CV 1 ASSI { 2591} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 33 and name HA )) 4.900 2.900 1.100 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 0.686 ppm2 3.561 CV 1 ASSI { 2592} (( segid " " and resid 178 and name HG2 )) (( segid " " and resid 178 and name HD2 )) 3.200 1.300 1.300 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.13574E-02 ppm1 1.606 ppm2 3.081 CV 1 OR { 2592} (( segid " " and resid 178 and name HG2 )) (( segid " " and resid 178 and name HD3 )) ASSI { 2593} (( segid " " and resid 10 and name HB )) (( segid " " and resid 38 and name HG3 )) 4.200 2.200 1.800 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.57210E-03 ppm1 1.814 ppm2 2.421 CV 1 ASSI { 2596} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG13)) 3.200 1.300 1.300 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 4.623 ppm2 1.577 CV 1 ASSI { 2597} (( segid " " and resid 10 and name HG12)) (( segid " " and resid 81 and name HB2 )) 4.200 2.300 1.800 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.75150E-03 ppm1 1.181 ppm2 2.441 CV 1 ASSI { 2598} (( segid " " and resid 10 and name HB )) (( segid " " and resid 10 and name HG12)) 3.200 1.300 1.300 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 1.819 ppm2 1.180 CV 1 ASSI { 2600} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 38 and name HG2 )) 3.600 1.600 1.600 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 0.687 ppm2 2.180 CV 1 ASSI { 2601} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 8 and name HB )) 3.600 1.700 1.700 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 0.688 ppm2 2.085 CV 1 ASSI { 2602} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB )) 2.300 0.600 0.600 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.86829E-02 ppm1 0.688 ppm2 1.819 CV 1 ASSI { 2603} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG13)) 2.100 0.500 0.500 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.93429E-02 ppm1 0.688 ppm2 1.582 CV 1 ASSI { 2604} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG12)) 2.100 0.600 0.600 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.84154E-02 ppm1 0.687 ppm2 1.184 CV 1 ASSI { 2605} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 39 and name HB% ) 2.300 0.700 0.700 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.98709E-02 ppm1 0.687 ppm2 1.111 CV 1 ASSI { 2606} (( segid " " and resid 10 and name HG13)) (( segid " " and resid 10 and name HG12)) 1.700 0.400 0.500 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.59613E-02 ppm1 1.584 ppm2 1.185 CV 1 ASSI { 2607} (( segid " " and resid 10 and name HG13)) (( segid " " and resid 10 and name HB )) 2.500 0.800 0.800 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.26438E-02 ppm1 1.579 ppm2 1.815 CV 1 ASSI { 2610} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HB )) 2.200 0.600 0.600 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.11638E-01 ppm1 0.872 ppm2 1.817 CV 1 ASSI { 2612} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HG13)) 3.200 1.300 1.300 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.56362E-02 ppm1 0.872 ppm2 1.582 CV 1 ASSI { 2614} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HG12)) 2.300 0.700 0.700 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.69090E-02 ppm1 0.872 ppm2 1.187 CV 1 ASSI { 2618} ( segid " " and resid 10 and name HG2%) ( segid " " and resid 10 and name HD1%) 2.100 0.500 0.500 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.16032E-01 ppm1 0.871 ppm2 0.684 CV 1 ASSI { 2625} ( segid " " and resid 10 and name HG2%) ( segid " " and resid 32 and name HD1%) 4.800 2.900 1.200 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.17535E-02 ppm1 0.871 ppm2 0.109 CV 1 ASSI { 2626} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 32 and name HD1%) 2.400 0.700 0.700 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.72814E-02 ppm1 0.687 ppm2 0.109 CV 1 ASSI { 2628} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 14 and name HG1%) 4.300 2.300 1.700 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 3.665 ppm2 0.771 CV 1 ASSI { 2631} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 78 and name HG2%) 3.400 1.500 1.500 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.21665E-02 ppm1 3.663 ppm2 1.004 CV 1 ASSI { 2633} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 80 and name HG2 )) 4.800 2.900 1.200 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 3.580 ppm2 2.020 CV 1 ASSI { 2637} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HB2 )) 1.900 0.400 0.400 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.83071E-02 ppm1 3.662 ppm2 3.575 CV 1 ASSI { 2641} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HA )) 3.300 1.400 1.400 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.10392E-02 ppm1 3.671 ppm2 4.620 CV 1 ASSI { 2642} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 14 and name HA )) 4.800 2.800 1.200 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 3.664 ppm2 4.985 CV 1 ASSI { 2643} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 8 and name HA )) 4.900 3.000 1.100 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.10223E-02 ppm1 3.664 ppm2 4.932 CV 1 ASSI { 2644} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HA )) 4.500 2.600 1.500 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 3.574 ppm2 4.933 CV 1 ASSI { 2646} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HA )) 3.100 1.200 1.200 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.16621E-02 ppm1 3.664 ppm2 5.293 CV 1 ASSI { 2647} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 80 and name HA )) 3.500 1.500 1.500 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 3.665 ppm2 5.176 CV 1 ASSI { 2648} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HA )) 2.800 1.000 1.000 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.18618E-02 ppm1 3.578 ppm2 5.294 CV 1 ASSI { 2649} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 80 and name HA )) 3.800 1.800 1.800 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 3.580 ppm2 5.167 CV 1 ASSI { 2650} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 81 and name H )) 4.900 3.000 1.100 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 3.576 ppm2 8.549 CV 1 ASSI { 2651} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 81 and name H )) 4.600 2.600 1.400 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 3.670 ppm2 8.537 CV 1 ASSI { 2653} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name H )) 2.600 0.900 0.900 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.27994E-02 ppm1 3.579 ppm2 8.870 CV 1 ASSI { 2657} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name H )) 4.000 2.000 2.000 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 0.709 ppm2 8.895 CV 1 ASSI { 2661} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 76 and name H )) 2.900 1.000 1.000 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.27725E-02 ppm1 0.882 ppm2 9.305 CV 1 ASSI { 2662} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 77 and name H )) 2.600 0.900 0.900 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.57987E-02 ppm1 0.883 ppm2 8.085 CV 1 ASSI { 2663} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 77 and name H )) 4.400 2.400 1.600 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.91736E-03 ppm1 0.708 ppm2 8.081 CV 1 ASSI { 2664} ( segid " " and resid 6 and name HD1%) ( segid " " and resid 19 and name HD% ) 2.500 0.800 0.800 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.42856E-02 ppm1 0.708 ppm2 7.063 CV 1 ASSI { 2665} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 73 and name H )) 4.500 2.500 1.500 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 0.881 ppm2 6.783 CV 1 ASSI { 2666} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HA )) 4.000 2.000 2.000 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.21089E-02 ppm1 0.708 ppm2 4.966 CV 1 ASSI { 2670} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name HA )) 2.300 0.600 0.600 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.74269E-02 ppm1 0.882 ppm2 4.973 CV 1 ASSI { 2672} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 74 and name HA )) 3.400 1.500 1.500 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 0.882 ppm2 4.475 CV 1 ASSI { 2673} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 19 and name HB2 )) 3.300 1.300 1.300 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 0.709 ppm2 2.293 CV 1 ASSI { 2674} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 79 and name HG3 )) 3.300 1.300 1.300 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.23222E-02 ppm1 0.708 ppm2 2.139 CV 1 OR { 2674} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 79 and name HG2 )) ASSI { 2675} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 19 and name HB3 )) 4.500 2.500 1.500 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 0.713 ppm2 2.931 CV 1 ASSI { 2676} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 4 and name HB2 )) 2.500 0.800 0.800 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.72137E-02 ppm1 0.709 ppm2 1.555 CV 1 ASSI { 2677} ( segid " " and resid 6 and name HD1%) ( segid " " and resid 79 and name HE% ) 2.400 2.400 3.600 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.10670E-01 ppm1 0.709 ppm2 1.474 CV 1 ASSI { 2679} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 68 and name HB3 )) 3.200 1.300 1.300 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 0.707 ppm2 1.098 CV 1 ASSI { 2681} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HB3 )) 2.600 0.800 0.800 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 1.318 ppm2 1.659 CV 1 ASSI { 2683} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 6 and name HD1%) 3.100 1.200 1.200 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 1.320 ppm2 0.710 CV 1 ASSI { 2688} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB3 )) 2.700 0.900 0.900 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.14522E-02 ppm1 4.977 ppm2 1.640 CV 1 ASSI { 2689} (( segid " " and resid 6 and name HA )) ( segid " " and resid 79 and name HE% ) 4.900 3.000 1.100 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 4.980 ppm2 1.474 CV 1 ASSI { 2690} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB2 )) 3.400 1.400 1.400 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 4.976 ppm2 1.318 CV 1 ASSI { 2691} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.91736E-02 ppm1 0.883 ppm2 1.553 CV 1 ASSI { 2694} ( segid " " and resid 6 and name HD2%) ( segid " " and resid 6 and name HD1%) 2.000 0.500 0.500 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.20504E-01 ppm1 0.883 ppm2 0.707 CV 1 ASSI { 2695} ( segid " " and resid 6 and name HD1%) ( segid " " and resid 68 and name HD1%) 2.500 0.800 0.800 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.52741E-02 ppm1 0.709 ppm2 0.312 CV 1 ASSI { 2697} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 16 and name HG2%) 3.600 1.600 1.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.23730E-02 ppm1 3.554 ppm2 0.929 CV 1 ASSI { 2699} (( segid " " and resid 5 and name HA )) ( segid " " and resid 3 and name HB% ) 5.300 3.500 0.700 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 4.900 ppm2 1.114 CV 1 ASSI { 2700} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 18 and name HB3 )) 5.200 3.400 0.800 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 3.602 ppm2 1.467 CV 1 ASSI { 2703} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 18 and name HG3 )) 3.400 1.500 1.500 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.18178E-02 ppm1 3.599 ppm2 2.027 CV 1 OR { 2703} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 18 and name HG2 )) ASSI { 2704} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 18 and name HG3 )) 4.200 2.200 1.800 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.15165E-02 ppm1 3.551 ppm2 2.026 CV 1 OR { 2704} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 18 and name HG2 )) ASSI { 2705} (( segid " " and resid 5 and name HA )) (( segid " " and resid 18 and name HG3 )) 2.600 0.800 0.800 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.19363E-02 ppm1 4.898 ppm2 2.023 CV 1 OR { 2705} (( segid " " and resid 5 and name HA )) (( segid " " and resid 18 and name HG2 )) ASSI { 2706} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 75 and name HB3 )) 4.400 2.400 1.600 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.91736E-03 ppm1 3.598 ppm2 2.692 CV 1 ASSI { 2709} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.30162E-02 ppm1 3.598 ppm2 4.889 CV 1 ASSI { 2710} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.100 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.29586E-02 ppm1 3.553 ppm2 4.890 CV 1 ASSI { 2711} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 75 and name HA )) 3.700 1.700 1.700 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.23256E-02 ppm1 3.597 ppm2 4.711 CV 1 ASSI { 2712} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.700 0.900 0.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.22409E-02 ppm1 3.550 ppm2 4.710 CV 1 ASSI { 2715} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 18 and name HA )) 4.900 2.900 1.100 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.74473E-03 ppm1 3.596 ppm2 5.266 CV 1 ASSI { 2716} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 75 and name HD22)) 4.700 2.800 1.300 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 3.595 ppm2 7.076 CV 1 ASSI { 2718} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 6 and name H )) 4.100 2.100 1.900 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.14184E-02 ppm1 3.552 ppm2 8.894 CV 1 ASSI { 2719} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 6 and name H )) 3.900 1.900 1.900 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 3.592 ppm2 8.887 CV 1 ASSI { 2720} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name H )) 3.000 1.100 1.100 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 3.597 ppm2 8.654 CV 1 ASSI { 2721} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name H )) 2.500 0.800 0.800 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.33139E-02 ppm1 3.553 ppm2 8.656 CV 1 ASSI { 2722} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 76 and name H )) 4.500 2.600 1.500 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 3.594 ppm2 9.302 CV 1 ASSI { 2723} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 76 and name H )) 3.800 1.800 1.800 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 3.549 ppm2 9.307 CV 1 ASSI { 2725} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 192 and name H )) 3.500 1.600 1.600 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.40587E-02 ppm1 0.718 ppm2 9.090 CV 1 ASSI { 2726} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 74 and name H )) 3.600 1.600 1.600 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.27792E-02 ppm1 0.716 ppm2 8.915 CV 1 ASSI { 2727} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name H )) 3.000 1.100 1.100 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.37845E-02 ppm1 0.712 ppm2 8.732 CV 1 ASSI { 2728} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 93 and name H )) 3.600 1.700 1.700 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 0.713 ppm2 8.485 CV 1 ASSI { 2729} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 75 and name H )) 2.900 2.900 3.100 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.51454E-02 ppm1 0.713 ppm2 8.363 CV 1 ASSI { 2730} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 69 and name H )) 3.900 1.900 1.900 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 0.709 ppm2 8.085 CV 1 ASSI { 2731} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 75 and name HD21)) 3.700 1.700 1.700 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 0.716 ppm2 7.544 CV 1 ASSI { 2732} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 74 and name HE )) 4.300 2.400 1.700 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 0.716 ppm2 7.398 CV 1 ASSI { 2733} ( segid " " and resid 193 and name HD2%) ( segid " " and resid 127 and name HD% ) 2.600 0.900 0.900 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.36829E-02 ppm1 0.737 ppm2 6.864 CV 1 ASSI { 2734} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 73 and name H )) 3.400 3.400 2.600 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.24847E-02 ppm1 0.714 ppm2 6.783 CV 1 ASSI { 2735} ( segid " " and resid 193 and name HD2%) ( segid " " and resid 127 and name HE% ) 3.100 1.200 1.200 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 0.733 ppm2 6.640 CV 1 ASSI { 2736} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 3.000 1.200 1.200 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 1.585 ppm2 4.718 CV 1 ASSI { 2737} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 4 and name HA )) 2.600 0.900 0.900 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 1.294 ppm2 4.718 CV 1 ASSI { 2738} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 74 and name HA )) 2.300 0.700 0.700 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.60391E-02 ppm1 0.713 ppm2 4.448 CV 1 ASSI { 2739} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 3 and name HA )) 3.500 1.500 1.500 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 0.715 ppm2 4.286 CV 1 ASSI { 2740} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.93158E-02 ppm1 0.715 ppm2 4.105 CV 1 ASSI { 2741} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 3 and name HA )) 4.100 2.100 1.900 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.76843E-03 ppm1 1.581 ppm2 4.276 CV 1 ASSI { 2742} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 21 and name HD3 )) 3.100 1.200 1.200 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 0.709 ppm2 3.813 CV 1 ASSI { 2743} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 195 and name HA )) 3.600 1.600 1.600 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 0.716 ppm2 3.573 CV 1 ASSI { 2745} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 69 and name HB3 )) 4.300 2.300 1.700 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 0.719 ppm2 2.452 CV 1 ASSI { 2746} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 21 and name HB3 )) 2.700 0.900 0.900 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.35679E-02 ppm1 0.711 ppm2 2.334 CV 1 OR { 2746} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 21 and name HB3 )) ASSI { 2747} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 132 and name HG3 )) 2.300 0.700 0.700 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.71087E-02 ppm1 0.715 ppm2 2.128 CV 1 ASSI { 2748} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 132 and name HG2 )) 2.900 1.100 1.100 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.62489E-02 ppm1 0.716 ppm2 2.001 CV 1 ASSI { 2749} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 132 and name HB2 )) 2.700 0.900 0.900 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.80836E-02 ppm1 0.714 ppm2 1.937 CV 1 ASSI { 2750} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 74 and name HB3 )) 2.400 0.700 0.700 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.12545E-01 ppm1 0.718 ppm2 1.633 CV 1 OR { 2750} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 74 and name HB3 )) ASSI { 2752} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HG )) 1.900 0.400 0.400 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.24004E-01 ppm1 0.713 ppm2 1.476 CV 1 OR { 2752} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HG )) ASSI { 2754} ( segid " " and resid 4 and name HD2%) ( segid " " and resid 3 and name HB% ) 3.300 3.300 2.700 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.64249E-02 ppm1 0.711 ppm2 1.110 CV 1 ASSI { 2756} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 3 and name HB% ) 4.000 2.000 2.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 1.576 ppm2 1.101 CV 1 ASSI { 2757} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 68 and name HB3 )) 4.100 2.100 1.900 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 1.286 ppm2 1.104 CV 1 ASSI { 2758} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HG )) 2.700 0.900 0.900 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.27216E-02 ppm1 1.580 ppm2 1.484 CV 1 ASSI { 2759} ( segid " " and resid 193 and name HD2%) ( segid " " and resid 121 and name HD1%) 2.400 0.700 0.700 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.69495E-02 ppm1 0.709 ppm2 0.310 CV 1 ASSI { 2762} (( segid " " and resid 3 and name HA )) ( segid " " and resid 4 and name HD1%) 3.800 1.800 1.800 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 4.286 ppm2 0.701 CV 1 ASSI { 2764} (( segid " " and resid 3 and name HA )) (( segid " " and resid 20 and name HB3 )) 4.500 2.600 1.500 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.10832E-02 ppm1 4.286 ppm2 2.139 CV 1 ASSI { 2765} (( segid " " and resid 3 and name HA )) (( segid " " and resid 20 and name HG2 )) 4.200 2.200 1.800 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 4.294 ppm2 2.346 CV 1 ASSI { 2766} (( segid " " and resid 3 and name HA )) (( segid " " and resid 2 and name HB )) 4.300 2.400 1.700 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 4.291 ppm2 2.052 CV 1 ASSI { 2767} (( segid " " and resid 3 and name HA )) (( segid " " and resid 21 and name HG3 )) 4.500 2.500 1.500 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 4.282 ppm2 1.944 CV 1 ASSI { 2769} (( segid " " and resid 3 and name HA )) (( segid " " and resid 21 and name HD2 )) 3.200 1.300 1.300 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.20446E-02 ppm1 4.278 ppm2 3.868 CV 1 ASSI { 2770} (( segid " " and resid 3 and name HA )) (( segid " " and resid 21 and name HD3 )) 2.400 0.700 0.700 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 4.281 ppm2 3.819 CV 1 ASSI { 2772} (( segid " " and resid 3 and name HA )) (( segid " " and resid 20 and name HA )) 2.500 0.800 0.800 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 4.282 ppm2 4.660 CV 1 ASSI { 2774} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name H )) 2.200 0.600 0.600 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.51656E-02 ppm1 4.282 ppm2 8.730 CV 1 ASSI { 2775} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 4 and name H )) 4.700 2.800 1.300 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 0.868 ppm2 8.723 CV 1 ASSI { 2776} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 2 and name H )) 2.900 1.000 1.000 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.55618E-02 ppm1 0.870 ppm2 7.975 CV 1 ASSI { 2777} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 3 and name H )) 3.700 1.700 1.700 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.51351E-02 ppm1 0.869 ppm2 7.853 CV 1 ASSI { 2778} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 1 and name H )) 3.900 1.900 1.900 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 0.865 ppm2 8.149 CV 1 ASSI { 2779} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 0 and name H )) 3.600 1.600 1.600 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 0.864 ppm2 8.063 CV 1 ASSI { 2780} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 2 and name H )) 2.200 0.600 0.600 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.14806E-01 ppm1 0.864 ppm2 7.976 CV 1 ASSI { 2785} (( segid " " and resid 2 and name HA )) (( segid " " and resid 3 and name H )) 2.000 0.500 0.500 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.20591E-01 ppm1 4.112 ppm2 7.852 CV 1 ASSI { 2786} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 20 and name HA )) 3.800 1.800 1.800 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 0.862 ppm2 4.675 CV 1 ASSI { 2788} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 1 and name HA )) 4.000 2.000 2.000 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.25084E-02 ppm1 0.862 ppm2 4.395 CV 1 ASSI { 2789} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 3 and name HA )) 3.700 1.800 1.800 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 0.863 ppm2 4.275 CV 1 ASSI { 2790} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 2 and name HA )) 2.700 0.900 0.900 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.12599E-01 ppm1 0.863 ppm2 4.112 CV 1 ASSI { 2791} (( segid " " and resid 2 and name HB )) (( segid " " and resid 2 and name HA )) 2.200 0.600 0.600 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.98675E-02 ppm1 2.063 ppm2 4.110 CV 1 ASSI { 2792} (( segid " " and resid 2 and name HA )) (( segid " " and resid 3 and name HA )) 4.000 2.000 2.000 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 4.117 ppm2 4.271 CV 1 ASSI { 2793} (( segid " " and resid 2 and name HA )) (( segid " " and resid 1 and name HA )) 3.900 1.900 1.900 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 4.113 ppm2 4.400 CV 1 ASSI { 2794} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 1 and name HA )) 3.900 1.900 1.900 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.13371E-02 ppm1 0.866 ppm2 4.394 CV 1 ASSI { 2795} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 3 and name HA )) 4.600 2.600 1.400 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 0.869 ppm2 4.281 CV 1 ASSI { 2796} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 2 and name HA )) 2.200 0.600 0.600 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.15497E-01 ppm1 0.869 ppm2 4.110 CV 1 ASSI { 2797} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 21 and name HD2 )) 3.100 1.200 1.200 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 0.863 ppm2 3.872 CV 1 ASSI { 2798} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 21 and name HD3 )) 3.600 1.600 1.600 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.23459E-02 ppm1 0.863 ppm2 3.818 CV 1 ASSI { 2799} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 21 and name HD3 )) 4.200 2.200 1.800 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.18483E-02 ppm1 0.872 ppm2 3.814 CV 1 ASSI { 2800} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 21 and name HB3 )) 4.600 2.600 1.400 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 0.865 ppm2 2.346 CV 1 ASSI { 2801} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 21 and name HG2 )) 3.600 1.600 1.600 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.36594E-02 ppm1 0.864 ppm2 2.147 CV 1 ASSI { 2802} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 2 and name HB )) 1.900 0.500 0.500 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.25090E-01 ppm1 0.864 ppm2 2.062 CV 1 ASSI { 2803} ( segid " " and resid 2 and name HG2%) (( segid " " and resid 21 and name HG3 )) 3.700 1.700 1.700 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.29113E-02 ppm1 0.865 ppm2 1.947 CV 1 ASSI { 2804} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 1 and name HG3 )) 3.300 1.300 1.300 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 0.873 ppm2 2.528 CV 1 ASSI { 2805} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 21 and name HB3 )) 4.400 2.500 1.600 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 0.872 ppm2 2.348 CV 1 ASSI { 2806} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 21 and name HG2 )) 3.700 1.700 1.700 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.29722E-02 ppm1 0.869 ppm2 2.148 CV 1 ASSI { 2807} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 2 and name HB )) 2.000 0.500 0.500 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.24982E-01 ppm1 0.869 ppm2 2.061 CV 1 ASSI { 2808} ( segid " " and resid 2 and name HG1%) (( segid " " and resid 21 and name HG3 )) 3.300 1.400 1.400 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.31449E-02 ppm1 0.869 ppm2 1.953 CV 1 ASSI { 2810} (( segid " " and resid 2 and name HA )) (( segid " " and resid 21 and name HG3 )) 3.100 1.200 1.200 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.84627E-03 ppm1 4.107 ppm2 1.952 CV 1 ASSI { 2813} (( segid " " and resid 2 and name HB )) ( segid " " and resid 2 and name HG2%) 1.900 0.500 0.500 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.30149E-01 ppm1 2.063 ppm2 0.866 CV 1 OR { 2813} (( segid " " and resid 2 and name HB )) ( segid " " and resid 2 and name HG1%) ASSI { 2814} (( segid " " and resid 69 and name HA )) ( segid " " and resid 73 and name HD2%) 3.300 1.400 1.400 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.45394E-02 ppm1 4.399 ppm2 0.863 CV 1 ASSI { 2817} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG3 )) 3.100 1.200 1.200 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.37811E-02 ppm1 4.402 ppm2 2.511 CV 1 OR { 2817} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HG2 )) ASSI { 2818} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB3 )) 2.900 1.000 1.000 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.60492E-02 ppm1 4.398 ppm2 2.461 CV 1 ASSI { 2820} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HG3 )) 2.500 0.800 0.800 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.49896E-02 ppm1 1.963 ppm2 2.533 CV 1 ASSI { 2821} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HG3 )) 3.000 1.200 1.200 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.34224E-02 ppm1 1.916 ppm2 2.548 CV 1 ASSI { 2823} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HG2 )) 2.700 0.900 0.900 peak 2823 spectrum 1 weight 0.10000E+01 volume 0.40349E-02 ppm1 1.964 ppm2 2.463 CV 1 ASSI { 2825} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HA )) 2.900 1.000 1.000 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.52503E-02 ppm1 1.963 ppm2 4.399 CV 1 ASSI { 2827} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name H )) 2.000 0.500 0.500 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.20426E-01 ppm1 4.400 ppm2 7.976 CV 1 ASSI { 2830} (( segid " " and resid 0 and name HB )) (( segid " " and resid 1 and name H )) 1.900 0.400 0.400 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.63505E-02 ppm1 4.138 ppm2 8.150 CV 1 ASSI { 2832} (( segid " " and resid 0 and name HB )) (( segid " " and resid 2 and name H )) 3.900 1.900 1.900 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 4.139 ppm2 7.979 CV 1 ASSI { 2833} (( segid " " and resid 0 and name HA )) (( segid " " and resid 1 and name H )) 2.400 0.700 0.700 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.15886E-01 ppm1 4.201 ppm2 8.152 CV 1 ASSI { 2835} (( segid " " and resid 0 and name HA )) ( segid " " and resid -1 and name HD% ) 4.400 2.400 1.600 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 4.198 ppm2 7.213 CV 1 ASSI { 2836} (( segid " " and resid 0 and name HA )) (( segid " " and resid 1 and name HB2 )) 4.400 2.400 1.600 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 4.202 ppm2 2.032 CV 1 ASSI { 2837} (( segid " " and resid 0 and name HA )) (( segid " " and resid 1 and name HB3 )) 4.900 3.000 1.100 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 4.201 ppm2 1.957 CV 1 ASSI { 2838} (( segid " " and resid 0 and name HB )) (( segid " " and resid 1 and name HB2 )) 4.900 3.000 1.100 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 4.138 ppm2 2.047 CV 1 ASSI { 2841} (( segid " " and resid 0 and name HB )) ( segid " " and resid 2 and name HG2%) 3.800 1.800 1.800 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.18517E-02 ppm1 4.138 ppm2 0.864 CV 1 OR { 2841} (( segid " " and resid 0 and name HB )) ( segid " " and resid 2 and name HG1%) ASSI { 2842} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 135 and name HA )) 4.200 2.200 1.800 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.93090E-03 ppm1 1.564 ppm2 4.127 CV 1 ASSI { 2843} (( segid " " and resid 197 and name HA )) ( segid " " and resid 197 and name HE% ) 4.300 2.300 1.700 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.15098E-02 ppm1 4.467 ppm2 7.110 CV 1 ASSI { 2844} (( segid " " and resid 197 and name HA )) ( segid " " and resid 197 and name HD% ) 2.300 0.700 0.700 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.51454E-02 ppm1 4.469 ppm2 7.003 CV 1 ASSI { 2845} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name H )) 2.700 0.900 0.900 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.31855E-02 ppm1 4.471 ppm2 7.546 CV 1 ASSI { 2847} (( segid " " and resid 197 and name HA )) (( segid " " and resid 198 and name H )) 2.200 0.600 0.600 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.76166E-02 ppm1 4.469 ppm2 8.154 CV 1 ASSI { 2848} (( segid " " and resid 197 and name HB3 )) (( segid " " and resid 126 and name HA )) 4.500 2.500 1.500 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.17027E-02 ppm1 2.670 ppm2 4.141 CV 1 ASSI { 2849} (( segid " " and resid -3 and name HB2 )) (( segid " " and resid -2 and name HD3 )) 4.400 2.400 1.600 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 2.479 ppm2 3.791 CV 1 ASSI { 2850} (( segid " " and resid -3 and name HB2 )) (( segid " " and resid -2 and name HD2 )) 3.700 1.700 1.700 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 2.472 ppm2 3.676 CV 1 ASSI { 2851} (( segid " " and resid -3 and name HB3 )) (( segid " " and resid -2 and name HD3 )) 4.000 2.000 2.000 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.16756E-02 ppm1 2.674 ppm2 3.795 CV 1 ASSI { 2852} (( segid " " and resid -3 and name HB3 )) (( segid " " and resid -2 and name HD2 )) 2.900 1.000 1.000 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.41569E-02 ppm1 2.670 ppm2 3.676 CV 1 ASSI { 2853} (( segid " " and resid 197 and name HA )) (( segid " " and resid 196 and name HA )) 3.800 1.800 1.800 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.85304E-03 ppm1 4.469 ppm2 3.785 CV 1 ASSI { 2854} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB3 )) 2.300 0.700 0.700 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.50777E-02 ppm1 4.469 ppm2 2.683 CV 1 ASSI { 2855} (( segid " " and resid 197 and name HA )) (( segid " " and resid 197 and name HB2 )) 3.100 1.200 1.200 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.29890E-02 ppm1 4.471 ppm2 2.426 CV 1 ASSI { 2856} (( segid " " and resid -3 and name HB3 )) (( segid " " and resid -3 and name HB2 )) 1.500 0.300 0.700 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.45151E-01 ppm1 2.678 ppm2 2.477 CV 1 ASSI { 2858} (( segid " " and resid 197 and name HA )) (( segid " " and resid 196 and name HG2 )) 3.400 1.400 1.400 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.69733E-03 ppm1 4.482 ppm2 0.070 CV 1 ASSI { 2859} (( segid " " and resid 193 and name HA )) ( segid " " and resid 193 and name HD2%) 3.100 1.200 1.200 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.50439E-02 ppm1 4.868 ppm2 0.734 CV 1 ASSI { 2860} (( segid " " and resid 193 and name HA )) ( segid " " and resid 129 and name HD2%) 3.000 1.100 1.100 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.16824E-02 ppm1 4.868 ppm2 0.640 CV 1 ASSI { 2862} (( segid " " and resid 193 and name HB3 )) ( segid " " and resid 90 and name HG2%) 3.600 1.600 1.600 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 1.846 ppm2 0.637 CV 1 ASSI { 2864} (( segid " " and resid 193 and name HB3 )) (( segid " " and resid 193 and name HB2 )) 2.500 0.800 0.800 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.11035E-02 ppm1 1.847 ppm2 1.005 CV 1 ASSI { 2865} (( segid " " and resid 193 and name HB2 )) ( segid " " and resid 193 and name HD2%) 3.700 1.700 1.700 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.18754E-02 ppm1 0.998 ppm2 0.736 CV 1 ASSI { 2866} (( segid " " and resid 193 and name HB2 )) ( segid " " and resid 90 and name HG2%) 2.900 1.100 1.100 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 1.019 ppm2 0.634 CV 1 ASSI { 2868} ( segid " " and resid 193 and name HD1%) ( segid " " and resid 121 and name HD1%) 2.400 0.700 0.700 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.71222E-02 ppm1 0.574 ppm2 0.285 CV 1 ASSI { 2869} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 193 and name HG )) 2.300 0.700 0.700 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.72204E-02 ppm1 0.574 ppm2 1.384 CV 1 ASSI { 2870} ( segid " " and resid 193 and name HD1%) ( segid " " and resid 93 and name HD2%) 2.700 0.900 0.900 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.70578E-02 ppm1 0.574 ppm2 0.960 CV 1 OR { 2870} ( segid " " and resid 193 and name HD1%) ( segid " " and resid 93 and name HD1%) ASSI { 2871} ( segid " " and resid 193 and name HD1%) ( segid " " and resid 193 and name HD2%) 2.100 0.500 0.500 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.23039E-01 ppm1 0.574 ppm2 0.736 CV 1 ASSI { 2872} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 193 and name HB3 )) 3.000 1.100 1.100 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.50640E-02 ppm1 0.574 ppm2 1.895 CV 1 ASSI { 2875} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HB2 )) 3.300 1.300 1.300 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.67025E-03 ppm1 4.864 ppm2 1.003 CV 1 ASSI { 2878} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 47 and name HB2 )) 2.400 0.700 0.700 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 1.852 ppm2 2.554 CV 1 ASSI { 2881} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 193 and name HA )) 3.800 1.800 1.800 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 0.573 ppm2 4.862 CV 1 ASSI { 2882} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 92 and name HA )) 3.200 1.300 1.300 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.14217E-02 ppm1 0.571 ppm2 4.575 CV 1 ASSI { 2884} ( segid " " and resid 193 and name HD1%) ( segid " " and resid 127 and name HD% ) 3.200 1.300 1.300 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.19227E-02 ppm1 0.576 ppm2 6.863 CV 1 ASSI { 2885} ( segid " " and resid 193 and name HD1%) ( segid " " and resid 127 and name HE% ) 3.600 1.700 1.700 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 0.574 ppm2 6.635 CV 1 ASSI { 2886} (( segid " " and resid 47 and name HB3 )) ( segid " " and resid 47 and name HE% ) 4.800 2.900 1.200 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 1.849 ppm2 7.099 CV 1 ASSI { 2891} (( segid " " and resid 193 and name HA )) (( segid " " and resid 194 and name H )) 2.600 0.900 0.900 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.25084E-02 ppm1 4.868 ppm2 8.647 CV 1 ASSI { 2892} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 194 and name H )) 4.400 2.400 1.600 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 0.574 ppm2 8.643 CV 1 ASSI { 2893} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 93 and name H )) 4.000 2.000 2.000 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 0.575 ppm2 8.500 CV 1 ASSI { 2894} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 193 and name H )) 4.000 2.000 2.000 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.18313E-02 ppm1 0.574 ppm2 7.890 CV 1 ASSI { 2896} (( segid " " and resid 192 and name HB2 )) (( segid " " and resid 192 and name H )) 3.200 1.300 1.300 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 1.394 ppm2 9.090 CV 1 ASSI { 2897} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HA )) 4.200 2.200 1.800 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 1.561 ppm2 4.881 CV 1 ASSI { 2898} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 2.600 0.900 0.900 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.39300E-02 ppm1 1.565 ppm2 4.483 CV 1 ASSI { 2899} (( segid " " and resid 192 and name HB2 )) (( segid " " and resid 192 and name HA )) 3.600 1.600 1.600 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 1.402 ppm2 4.707 CV 1 ASSI { 2900} (( segid " " and resid 192 and name HB2 )) (( segid " " and resid 130 and name HB )) 4.300 2.300 1.700 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 1.387 ppm2 1.644 CV 1 ASSI { 2901} (( segid " " and resid 192 and name HB3 )) ( segid " " and resid 192 and name HD1%) 2.700 0.900 0.900 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.38827E-02 ppm1 1.548 ppm2 0.715 CV 1 OR { 2901} (( segid " " and resid 192 and name HB3 )) ( segid " " and resid 192 and name HD2%) ASSI { 2902} (( segid " " and resid 192 and name HB3 )) ( segid " " and resid 130 and name HG2%) 5.400 3.600 0.600 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.64316E-03 ppm1 1.549 ppm2 0.491 CV 1 ASSI { 2903} (( segid " " and resid 192 and name HB3 )) ( segid " " and resid 130 and name HG1%) 4.700 2.800 1.300 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 1.534 ppm2 0.230 CV 1 ASSI { 2904} (( segid " " and resid 192 and name HB2 )) ( segid " " and resid 130 and name HG1%) 3.100 1.200 1.200 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 1.387 ppm2 0.224 CV 1 ASSI { 2907} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 170 and name HA )) 2.800 1.000 1.000 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.52333E-02 ppm1 1.800 ppm2 4.209 CV 1 ASSI { 2910} (( segid " " and resid 189 and name HA )) (( segid " " and resid 189 and name H )) 3.000 1.100 1.100 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 3.990 ppm2 6.934 CV 1 ASSI { 2911} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 189 and name H )) 3.500 1.500 1.500 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 1.847 ppm2 6.939 CV 1 ASSI { 2912} (( segid " " and resid 189 and name HB2 )) (( segid " " and resid 189 and name H )) 3.000 1.200 1.200 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.14658E-02 ppm1 1.792 ppm2 6.940 CV 1 ASSI { 2914} (( segid " " and resid 189 and name HB2 )) (( segid " " and resid 190 and name H )) 4.100 2.100 1.900 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 1.785 ppm2 8.619 CV 1 ASSI { 2917} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name H )) 3.100 1.200 1.200 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.22071E-02 ppm1 2.599 ppm2 9.115 CV 1 OR { 2917} (( segid " " and resid 175 and name HB3 )) (( segid " " and resid 175 and name H )) ASSI { 2918} (( segid " " and resid 175 and name HA )) (( segid " " and resid 176 and name H )) 3.000 1.100 1.100 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.22342E-02 ppm1 4.627 ppm2 9.298 CV 1 ASSI { 2919} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name H )) 3.100 1.200 1.200 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 4.640 ppm2 9.112 CV 1 ASSI { 2922} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 2.591 ppm2 4.190 CV 1 ASSI { 2923} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HB3 )) 3.100 1.200 1.200 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.26676E-02 ppm1 4.630 ppm2 2.595 CV 1 OR { 2923} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HB2 )) ASSI { 2925} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 80 and name H )) 4.100 2.100 1.900 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 3.709 ppm2 9.168 CV 1 ASSI { 2926} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 128 and name HA )) 2.900 1.100 1.100 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 3.707 ppm2 4.590 CV 1 OR { 2926} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HA )) ASSI { 2927} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 127 and name H )) 3.200 1.300 1.300 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 2.811 ppm2 7.824 CV 1 OR { 2927} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name H )) ASSI { 2928} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 128 and name H )) 3.400 1.400 1.400 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.13879E-02 ppm1 2.801 ppm2 8.885 CV 1 OR { 2928} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 128 and name H )) ASSI { 2929} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 194 and name H )) 4.000 2.000 2.000 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 2.799 ppm2 8.666 CV 1 ASSI { 2930} (( segid " " and resid 83 and name HE3 )) (( segid " " and resid 86 and name H )) 3.900 1.900 1.900 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.12017E-02 ppm1 2.801 ppm2 9.303 CV 1 ASSI { 2932} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HA )) 2.100 0.600 0.600 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.96070E-02 ppm1 2.802 ppm2 4.702 CV 1 OR { 2932} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 127 and name HA )) ASSI { 2933} (( segid " " and resid 89 and name HE2 )) (( segid " " and resid 89 and name HB2 )) 2.700 0.900 0.900 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.50439E-02 ppm1 2.801 ppm2 1.816 CV 1 OR { 2933} (( segid " " and resid 89 and name HE3 )) (( segid " " and resid 89 and name HB2 )) ASSI { 2934} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 15 and name HD3 )) 2.300 0.700 0.700 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.65570E-02 ppm1 2.803 ppm2 1.676 CV 1 OR { 2934} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 15 and name HD3 )) ASSI { 2937} (( segid " " and resid 83 and name HE3 )) (( segid " " and resid 83 and name HG2 )) 2.000 0.500 0.500 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.12190E-01 ppm1 2.810 ppm2 0.914 CV 1 ASSI { 2940} (( segid " " and resid 7 and name HE2 )) ( segid " " and resid 14 and name HG2%) 2.300 0.700 0.700 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.10748E-01 ppm1 2.800 ppm2 0.707 CV 1 OR { 2940} (( segid " " and resid 7 and name HE3 )) ( segid " " and resid 14 and name HG2%) ASSI { 2941} ( segid " " and resid 122 and name HG2%) ( segid " " and resid 121 and name HG2%) 3.500 1.500 1.500 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.39876E-02 ppm1 1.135 ppm2 0.479 CV 1 ASSI { 2943} (( segid " " and resid 122 and name HA )) ( segid " " and resid 122 and name HG2%) 2.700 0.900 0.900 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.61202E-02 ppm1 4.193 ppm2 1.141 CV 1 ASSI { 2945} ( segid " " and resid 122 and name HG2%) (( segid " " and resid 122 and name HB )) 1.800 0.400 0.400 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.50878E-01 ppm1 1.141 ppm2 4.190 CV 1 ASSI { 2946} ( segid " " and resid 122 and name HG2%) (( segid " " and resid 123 and name HA )) 3.300 1.400 1.400 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.18009E-02 ppm1 1.142 ppm2 4.901 CV 1 ASSI { 2947} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name H )) 3.300 1.400 1.400 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 4.196 ppm2 8.497 CV 1 ASSI { 2948} (( segid " " and resid 122 and name HB )) (( segid " " and resid 122 and name H )) 3.500 1.600 1.600 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 4.190 ppm2 8.497 CV 1 ASSI { 2949} (( segid " " and resid 122 and name HB )) (( segid " " and resid 123 and name H )) 3.300 1.400 1.400 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 4.191 ppm2 8.699 CV 1 ASSI { 2950} (( segid " " and resid 122 and name HA )) (( segid " " and resid 123 and name H )) 3.700 1.700 1.700 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 4.194 ppm2 8.701 CV 1 ASSI { 2951} ( segid " " and resid 122 and name HG2%) (( segid " " and resid 123 and name H )) 3.300 1.400 1.400 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.24508E-02 ppm1 1.143 ppm2 8.706 CV 1 ASSI { 2953} (( segid " " and resid 111 and name HA )) ( segid " " and resid 115 and name HD1%) 4.000 2.000 2.000 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 4.016 ppm2 0.644 CV 1 ASSI { 2954} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG3 )) 2.900 1.000 1.000 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.17873E-02 ppm1 4.011 ppm2 2.245 CV 1 ASSI { 2955} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 3.100 1.200 1.200 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.19295E-02 ppm1 4.014 ppm2 2.008 CV 1 ASSI { 2957} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 2.500 0.800 0.800 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.24204E-02 ppm1 4.010 ppm2 1.723 CV 1 ASSI { 2958} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG2 )) 3.100 1.200 1.200 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 4.020 ppm2 2.568 CV 1 ASSI { 2961} (( segid " " and resid 111 and name HG3 )) ( segid " " and resid 102 and name HG1%) 2.600 0.900 0.900 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.25625E-02 ppm1 2.238 ppm2 0.734 CV 1 OR { 2961} (( segid " " and resid 111 and name HG3 )) ( segid " " and resid 102 and name HG2%) ASSI { 2962} (( segid " " and resid 111 and name HG3 )) ( segid " " and resid 115 and name HD1%) 3.700 1.700 1.700 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 2.242 ppm2 0.639 CV 1 ASSI { 2963} (( segid " " and resid 111 and name HG2 )) ( segid " " and resid 115 and name HD1%) 2.500 0.800 0.800 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 2.573 ppm2 0.634 CV 1 ASSI { 2964} (( segid " " and resid 111 and name HG3 )) (( segid " " and resid 111 and name HB2 )) 2.500 0.800 0.800 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.21292E-02 ppm1 2.240 ppm2 1.725 CV 1 ASSI { 2971} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name H )) 3.900 1.900 1.900 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.17704E-02 ppm1 2.572 ppm2 8.407 CV 1 ASSI { 2972} (( segid " " and resid 81 and name HA )) ( segid " " and resid 81 and name HD% ) 3.300 1.400 1.400 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 5.417 ppm2 6.817 CV 1 ASSI { 2976} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HA )) 3.100 1.200 1.200 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 2.441 ppm2 5.404 CV 1 ASSI { 2982} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB3 )) 3.700 1.700 1.700 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 5.419 ppm2 3.117 CV 1 ASSI { 2983} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 81 and name HB2 )) 2.400 0.700 0.700 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 3.109 ppm2 2.430 CV 1 ASSI { 2985} (( segid " " and resid 81 and name HA )) ( segid " " and resid 49 and name HD2%) 3.100 1.200 1.200 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 5.414 ppm2 0.868 CV 1 ASSI { 2986} (( segid " " and resid 81 and name HA )) ( segid " " and resid 8 and name HG2%) 4.000 2.000 2.000 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 5.407 ppm2 0.735 CV 1 ASSI { 2995} (( segid " " and resid 61 and name HB3 )) (( segid " " and resid 61 and name HE3 )) 3.500 1.500 1.500 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.59577E-03 ppm1 3.163 ppm2 7.533 CV 1 ASSI { 2996} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB3 )) 2.600 0.900 0.900 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 3.023 ppm2 3.159 CV 1 ASSI { 3000} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name H )) 2.400 0.700 0.700 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.71560E-02 ppm1 4.588 ppm2 8.142 CV 1 ASSI { 3001} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name H )) 2.700 0.900 0.900 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.35579E-02 ppm1 4.586 ppm2 8.082 CV 1 ASSI { 3003} (( segid " " and resid 77 and name HA )) (( segid " " and resid 74 and name H )) 4.800 2.900 1.200 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.80905E-03 ppm1 4.587 ppm2 8.933 CV 1 ASSI { 3004} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 3.000 1.100 1.100 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.24407E-02 ppm1 4.587 ppm2 2.801 CV 1 ASSI { 3005} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB3 )) 2.900 1.000 1.000 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.24914E-02 ppm1 4.587 ppm2 2.476 CV 1 ASSI { 3007} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 73 and name HD2%) 4.100 2.100 1.900 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 2.479 ppm2 0.806 CV 1 OR { 3007} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 73 and name HD1%) ASSI { 3008} (( segid " " and resid 77 and name HA )) ( segid " " and resid 6 and name HD2%) 3.700 1.700 1.700 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.16350E-02 ppm1 4.580 ppm2 0.874 CV 1 ASSI { 3009} (( segid " " and resid 79 and name HB3 )) ( segid " " and resid 49 and name HD2%) 4.700 2.700 1.300 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 1.818 ppm2 0.864 CV 1 ASSI { 3010} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 49 and name HD2%) 4.400 2.400 1.600 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 1.720 ppm2 0.871 CV 1 ASSI { 3014} (( segid " " and resid 101 and name HA )) ( segid " " and resid 102 and name HG2%) 3.300 1.300 1.300 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.33410E-02 ppm1 4.880 ppm2 0.728 CV 1 ASSI { 3017} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HG2 )) 3.400 1.500 1.500 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.22003E-02 ppm1 4.877 ppm2 1.617 CV 1 ASSI { 3023} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HB2 )) 1.900 0.400 0.400 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.41740E-02 ppm1 1.818 ppm2 1.712 CV 1 ASSI { 3026} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HG3 )) 2.800 1.000 1.000 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 1.718 ppm2 2.143 CV 1 OR { 3026} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HG2 )) ASSI { 3027} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 73 and name HD2%) 1.500 1.500 4.500 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.19623E-01 ppm1 1.472 ppm2 0.860 CV 1 ASSI { 3028} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 8 and name HD1%) 1.600 0.300 0.600 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.54982E-01 ppm1 1.473 ppm2 0.722 CV 1 ASSI { 3029} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 62 and name HD1%) 2.800 1.000 1.000 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.65536E-02 ppm1 1.473 ppm2 0.397 CV 1 ASSI { 3030} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 68 and name HD1%) 2.200 0.600 0.600 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.11723E-01 ppm1 1.472 ppm2 0.302 CV 1 OR { 3030} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 68 and name HD2%) ASSI { 3031} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 32 and name HD1%) 3.700 1.700 1.700 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 1.471 ppm2 0.122 CV 1 ASSI { 3032} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 62 and name HD2%) 2.000 2.000 4.000 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.42280E-02 ppm1 1.474 ppm2 -0.163 CV 1 ASSI { 3036} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name HB3 )) 2.000 0.500 0.500 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.89333E-02 ppm1 1.472 ppm2 1.814 CV 1 ASSI { 3037} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name HB2 )) 2.900 1.100 1.100 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.77148E-02 ppm1 1.473 ppm2 1.702 CV 1 ASSI { 3038} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name HG2 )) 2.300 0.600 0.600 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.12247E-01 ppm1 1.472 ppm2 2.144 CV 1 OR { 3038} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name HG3 )) ASSI { 3040} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB3 )) 2.900 1.100 1.100 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 4.893 ppm2 1.809 CV 1 ASSI { 3041} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 68 and name HA )) 2.300 2.300 3.700 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 1.474 ppm2 3.921 CV 1 ASSI { 3044} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name HA )) 3.700 1.700 1.700 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.33105E-02 ppm1 1.473 ppm2 4.900 CV 1 ASSI { 3045} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 19 and name HE% ) 2.800 1.000 1.000 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.47358E-02 ppm1 1.472 ppm2 7.118 CV 1 ASSI { 3046} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 19 and name HZ )) 3.200 1.300 1.300 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 1.473 ppm2 6.964 CV 1 ASSI { 3047} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name H )) 3.100 1.200 1.200 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 4.882 ppm2 7.018 CV 1 ASSI { 3048} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 79 and name H )) 4.000 2.000 2.000 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.25727E-02 ppm1 1.473 ppm2 9.053 CV 1 ASSI { 3050} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name H )) 3.200 1.300 1.300 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 1.824 ppm2 9.051 CV 1 ASSI { 3051} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name H )) 3.200 1.300 1.300 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 1.721 ppm2 9.051 CV 1 ASSI { 3052} (( segid " " and resid 178 and name HA )) (( segid " " and resid 179 and name H )) 2.800 1.000 1.000 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 4.882 ppm2 9.376 CV 1 ASSI { 3058} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HB2 )) 2.500 0.800 0.800 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.48508E-02 ppm1 2.466 ppm2 2.034 CV 1 ASSI { 3062} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HB3 )) 2.800 1.000 1.000 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 2.509 ppm2 1.561 CV 1 ASSI { 3066} (( segid " " and resid 1 and name HG2 )) ( segid " " and resid 2 and name HG1%) 3.800 1.800 1.800 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 2.465 ppm2 0.867 CV 1 OR { 3066} (( segid " " and resid 1 and name HG2 )) ( segid " " and resid 2 and name HG2%) ASSI { 3067} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HA )) 3.600 1.600 1.600 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.30940E-02 ppm1 2.464 ppm2 4.396 CV 1 ASSI { 3068} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 100 and name HA )) 3.700 1.800 1.800 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 2.475 ppm2 4.258 CV 1 ASSI { 3071} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name H )) 4.300 2.300 1.700 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 2.466 ppm2 8.151 CV 1 ASSI { 3072} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 24 and name H )) 3.900 1.900 1.900 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.40892E-02 ppm1 2.023 ppm2 9.138 CV 1 ASSI { 3073} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 25 and name H )) 3.800 1.800 1.800 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.36018E-02 ppm1 2.022 ppm2 9.452 CV 1 ASSI { 3074} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name H )) 4.400 2.400 1.600 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.19870E-02 ppm1 2.601 ppm2 9.134 CV 1 ASSI { 3075} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 25 and name H )) 3.600 1.600 1.600 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.85304E-03 ppm1 2.734 ppm2 9.460 CV 1 ASSI { 3076} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name H )) 3.600 1.700 1.700 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 2.730 ppm2 9.135 CV 1 ASSI { 3077} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 26 and name H )) 3.600 1.600 1.600 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 1.755 ppm2 8.704 CV 1 OR { 3077} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 26 and name H )) ASSI { 3079} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 66 and name H )) 2.700 0.900 0.900 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.56700E-02 ppm1 2.022 ppm2 7.476 CV 1 ASSI { 3080} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 67 and name H )) 2.600 0.900 0.900 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.96476E-02 ppm1 2.023 ppm2 8.144 CV 1 ASSI { 3081} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 26 and name H )) 3.800 1.800 1.800 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.27960E-02 ppm1 2.019 ppm2 8.712 CV 1 ASSI { 3082} (( segid " " and resid 24 and name HG3 )) ( segid " " and resid 26 and name HD% ) 4.900 3.000 1.100 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 2.733 ppm2 7.091 CV 1 ASSI { 3084} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 27 and name H )) 3.500 1.600 1.600 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 1.757 ppm2 6.714 CV 1 OR { 3084} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 27 and name H )) ASSI { 3085} ( segid " " and resid 24 and name HE% ) ( segid " " and resid 26 and name HD% ) 3.000 1.200 1.200 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.56532E-02 ppm1 2.023 ppm2 7.071 CV 1 ASSI { 3086} ( segid " " and resid 24 and name HE% ) ( segid " " and resid 26 and name HE% ) 2.500 0.800 0.800 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.93801E-02 ppm1 2.024 ppm2 6.786 CV 1 ASSI { 3087} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HA )) 2.600 0.800 0.800 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 2.727 ppm2 4.706 CV 1 ASSI { 3088} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HA )) 3.800 1.800 1.800 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.84627E-03 ppm1 2.598 ppm2 4.703 CV 1 ASSI { 3089} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 24 and name HA )) 3.600 1.600 1.600 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.51656E-02 ppm1 2.020 ppm2 4.712 CV 1 ASSI { 3090} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 67 and name HA )) 3.200 1.300 1.300 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.52604E-02 ppm1 2.022 ppm2 4.865 CV 1 ASSI { 3091} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 66 and name HA )) 2.100 0.600 0.600 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.14058E-01 ppm1 2.023 ppm2 4.379 CV 1 ASSI { 3093} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HG2 )) 1.600 0.300 0.600 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.96781E-02 ppm1 2.729 ppm2 2.600 CV 1 ASSI { 3096} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 24 and name HG2 )) 2.100 0.500 0.500 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.18534E-01 ppm1 2.017 ppm2 2.594 CV 1 ASSI { 3097} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 24 and name HG3 )) 2.100 0.500 0.500 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.15504E-01 ppm1 2.022 ppm2 2.723 CV 1 ASSI { 3098} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HB2 )) 2.700 0.900 0.900 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.37507E-02 ppm1 2.729 ppm2 1.725 CV 1 OR { 3098} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HB3 )) ASSI { 3100} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HB3 )) 2.600 0.800 0.800 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.33175E-02 ppm1 2.601 ppm2 1.729 CV 1 OR { 3100} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HB2 )) ASSI { 3103} ( segid " " and resid 24 and name HE% ) ( segid " " and resid 67 and name HB% ) 2.400 0.700 0.700 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.15747E-01 ppm1 2.021 ppm2 1.380 CV 1 ASSI { 3104} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 66 and name HD3 )) 3.400 1.400 1.400 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.49694E-02 ppm1 2.021 ppm2 0.862 CV 1 ASSI { 3106} (( segid " " and resid 123 and name HA )) (( segid " " and resid 124 and name H )) 2.700 0.900 0.900 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.23019E-02 ppm1 4.906 ppm2 7.688 CV 1 ASSI { 3108} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HD21)) 3.000 1.100 1.100 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 2.701 ppm2 7.696 CV 1 ASSI { 3112} (( segid " " and resid 191 and name HA )) (( segid " " and resid 192 and name H )) 2.600 0.900 0.900 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 4.903 ppm2 9.085 CV 1 ASSI { 3118} (( segid " " and resid 123 and name HB3 )) (( segid " " and resid 123 and name HB2 )) 2.000 0.500 0.500 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.64011E-02 ppm1 2.698 ppm2 2.789 CV 1 ASSI { 3120} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) 2.700 0.900 0.900 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.40892E-02 ppm1 4.903 ppm2 2.788 CV 1 ASSI { 3121} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB3 )) 2.700 0.900 0.900 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.44378E-02 ppm1 4.905 ppm2 2.696 CV 1 ASSI { 3122} (( segid " " and resid 123 and name HA )) (( segid " " and resid 122 and name HA )) 3.700 1.700 1.700 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.96476E-03 ppm1 4.898 ppm2 4.201 CV 1 ASSI { 3123} (( segid " " and resid 123 and name HA )) (( segid " " and resid 124 and name HA )) 4.300 2.300 1.700 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 4.905 ppm2 4.377 CV 1 ASSI { 3126} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 126 and name HG2 )) 4.000 2.000 2.000 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.60592E-03 ppm1 2.777 ppm2 1.827 CV 1 ASSI { 3127} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 126 and name HG3 )) 4.200 2.200 1.800 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.76504E-03 ppm1 2.803 ppm2 2.125 CV 1 OR { 3127} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 126 and name HB3 )) ASSI { 3128} (( segid " " and resid 123 and name HA )) (( segid " " and resid 126 and name HG3 )) 4.700 2.800 1.300 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 4.901 ppm2 2.118 CV 1 ASSI { 3131} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HD22)) 4.600 2.600 1.400 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 4.900 ppm2 6.663 CV 1 ASSI { 3133} (( segid " " and resid -3 and name HA )) (( segid " " and resid -2 and name HD3 )) 1.800 0.400 0.400 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.26867E-01 ppm1 4.799 ppm2 3.793 CV 1 ASSI { 3135} (( segid " " and resid -3 and name HA )) (( segid " " and resid -3 and name HB3 )) 2.400 0.700 0.700 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.77486E-02 ppm1 4.798 ppm2 2.668 CV 1 ASSI { 3136} (( segid " " and resid -3 and name HA )) (( segid " " and resid -3 and name HB2 )) 2.600 0.800 0.800 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.78874E-02 ppm1 4.799 ppm2 2.477 CV 1 ASSI { 3142} (( segid " " and resid 84 and name HA )) (( segid " " and resid 48 and name H )) 3.800 1.800 1.800 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 3.695 ppm2 8.610 CV 1 ASSI { 3143} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name H )) 2.900 1.100 1.100 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 3.704 ppm2 8.109 CV 1 ASSI { 3144} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name H )) 2.800 1.000 1.000 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 1.129 ppm2 8.102 CV 1 ASSI { 3145} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name H )) 3.900 1.900 1.900 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 0.940 ppm2 8.104 CV 1 ASSI { 3146} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name H )) 4.300 2.300 1.700 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 1.041 ppm2 8.109 CV 1 OR { 3146} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name H )) ASSI { 3148} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 61 and name HE3 )) 3.900 1.900 1.900 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 1.044 ppm2 7.497 CV 1 OR { 3148} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 61 and name HE3 )) ASSI { 3149} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 61 and name HE3 )) 3.300 1.400 1.400 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 2.379 ppm2 7.512 CV 1 ASSI { 3150} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 61 and name HE3 )) 3.700 1.700 1.700 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 2.335 ppm2 7.502 CV 1 ASSI { 3151} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 48 and name H )) 2.700 2.700 3.300 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.61608E-03 ppm1 2.394 ppm2 8.608 CV 1 ASSI { 3152} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 48 and name H )) 4.200 2.200 1.800 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.67025E-03 ppm1 2.331 ppm2 8.602 CV 1 ASSI { 3153} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 49 and name H )) 4.200 2.200 1.800 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 2.385 ppm2 9.079 CV 1 ASSI { 3154} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 49 and name H )) 4.100 2.100 1.900 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.62962E-03 ppm1 2.335 ppm2 9.081 CV 1 ASSI { 3155} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 48 and name H )) 3.700 1.700 1.700 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.61947E-03 ppm1 0.540 ppm2 8.597 CV 1 ASSI { 3156} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name H )) 3.600 1.700 1.700 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 0.533 ppm2 8.107 CV 1 ASSI { 3157} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name H )) 3.800 1.900 1.900 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 0.030 ppm2 8.110 CV 1 ASSI { 3158} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 85 and name H )) 3.300 1.400 1.400 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 1.131 ppm2 7.133 CV 1 ASSI { 3159} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 85 and name H )) 3.400 1.400 1.400 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 0.940 ppm2 7.122 CV 1 ASSI { 3160} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 61 and name HZ2 )) 4.200 2.200 1.800 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 1.036 ppm2 7.133 CV 1 OR { 3160} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 61 and name HZ2 )) ASSI { 3161} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 85 and name H )) 4.300 2.300 1.700 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 0.542 ppm2 7.136 CV 1 ASSI { 3162} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 85 and name H )) 4.400 2.400 1.600 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 0.028 ppm2 7.143 CV 1 ASSI { 3163} (( segid " " and resid 84 and name HA )) (( segid " " and resid 82 and name HE )) 4.300 2.300 1.700 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.73796E-03 ppm1 3.702 ppm2 6.641 CV 1 ASSI { 3164} (( segid " " and resid 84 and name HA )) (( segid " " and resid 61 and name HH2 )) 2.700 0.900 0.900 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.18990E-02 ppm1 3.695 ppm2 6.489 CV 1 ASSI { 3165} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 61 and name HZ3 )) 4.100 2.100 1.900 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 1.053 ppm2 6.627 CV 1 OR { 3165} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 61 and name HZ3 )) ASSI { 3166} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 61 and name HH2 )) 4.500 2.500 1.500 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.54840E-03 ppm1 1.055 ppm2 6.482 CV 1 OR { 3166} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 61 and name HH2 )) ASSI { 3167} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 61 and name HZ3 )) 4.100 2.100 1.900 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 2.389 ppm2 6.625 CV 1 ASSI { 3168} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 61 and name HZ3 )) 4.300 2.300 1.700 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 2.331 ppm2 6.624 CV 1 ASSI { 3169} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 48 and name HA3 )) 3.600 1.600 1.600 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.13473E-02 ppm1 1.046 ppm2 4.464 CV 1 OR { 3169} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 48 and name HA3 )) ASSI { 3170} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 48 and name HA3 )) 3.200 1.200 1.200 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 2.379 ppm2 4.472 CV 1 ASSI { 3171} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 48 and name HA2 )) 3.900 1.900 1.900 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 2.349 ppm2 3.932 CV 1 OR { 3171} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 48 and name HA2 )) ASSI { 3172} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 48 and name HA2 )) 4.600 2.600 1.400 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 2.389 ppm2 3.927 CV 1 ASSI { 3173} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 48 and name HA2 )) 4.900 3.000 1.100 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.88012E-03 ppm1 1.046 ppm2 3.941 CV 1 OR { 3173} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 48 and name HA2 )) ASSI { 3174} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 47 and name HA )) 4.500 2.600 1.500 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.65671E-03 ppm1 0.537 ppm2 4.862 CV 1 ASSI { 3175} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 48 and name HA3 )) 3.600 1.600 1.600 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.56871E-03 ppm1 0.016 ppm2 4.462 CV 1 ASSI { 3178} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 105 and name HB2 )) 3.800 1.800 1.800 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 2.373 ppm2 3.699 CV 1 ASSI { 3183} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HE3 )) 3.400 1.400 1.400 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 0.024 ppm2 2.347 CV 1 OR { 3183} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HE2 )) ASSI { 3184} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HE3 )) 3.600 1.600 1.600 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.78874E-03 ppm1 0.529 ppm2 2.370 CV 1 OR { 3184} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HE2 )) ASSI { 3185} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HE2 )) 2.700 0.900 0.900 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 1.047 ppm2 2.374 CV 1 OR { 3185} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HE3 )) OR { 3185} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HE3 )) OR { 3185} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HE2 )) ASSI { 3186} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HE3 )) 4.700 2.700 1.300 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 0.937 ppm2 2.371 CV 1 OR { 3186} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HE2 )) ASSI { 3188} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HB2 )) 2.900 1.000 1.000 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 0.027 ppm2 1.124 CV 1 ASSI { 3190} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HB3 )) 3.200 1.300 1.300 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 0.030 ppm2 0.931 CV 1 ASSI { 3191} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HB2 )) 3.200 1.300 1.300 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 0.544 ppm2 1.132 CV 1 ASSI { 3193} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HB2 )) 4.100 2.100 1.900 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 2.366 ppm2 1.124 CV 1 ASSI { 3194} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 84 and name HD3 )) 2.500 0.800 0.800 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.45903E-02 ppm1 2.378 ppm2 1.045 CV 1 OR { 3194} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 84 and name HD2 )) ASSI { 3195} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HD2 )) 2.600 0.800 0.800 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.45970E-02 ppm1 2.334 ppm2 1.045 CV 1 OR { 3195} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HD3 )) ASSI { 3196} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 84 and name HB3 )) 4.400 2.500 1.600 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 2.368 ppm2 0.955 CV 1 ASSI { 3197} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HB3 )) 4.200 2.200 1.800 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 2.332 ppm2 0.951 CV 1 ASSI { 3198} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HB2 )) 2.100 0.500 0.500 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.27148E-02 ppm1 0.944 ppm2 1.133 CV 1 ASSI { 3200} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.000 1.200 1.200 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 3.703 ppm2 1.133 CV 1 ASSI { 3201} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HD3 )) 3.400 1.400 1.400 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 3.701 ppm2 1.044 CV 1 OR { 3201} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HD2 )) ASSI { 3202} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB3 )) 3.000 1.100 1.100 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.17298E-02 ppm1 3.700 ppm2 0.936 CV 1 ASSI { 3203} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG3 )) 3.600 1.600 1.600 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.14861E-02 ppm1 3.704 ppm2 0.020 CV 1 ASSI { 3204} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 2.900 1.000 1.000 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 3.700 ppm2 0.541 CV 1 ASSI { 3208} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HG2 )) 3.200 1.300 1.300 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.13371E-02 ppm1 0.940 ppm2 0.543 CV 1 ASSI { 3209} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HG3 )) 2.900 1.000 1.000 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.23222E-02 ppm1 1.047 ppm2 0.026 CV 1 OR { 3209} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HG3 )) ASSI { 3210} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HG2 )) 2.800 1.000 1.000 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.24576E-02 ppm1 1.045 ppm2 0.539 CV 1 OR { 3210} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HG2 )) ASSI { 3211} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 84 and name HG3 )) 3.400 1.400 1.400 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.15165E-02 ppm1 2.374 ppm2 0.028 CV 1 ASSI { 3212} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HG3 )) 2.900 1.100 1.100 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 2.330 ppm2 0.027 CV 1 ASSI { 3213} (( segid " " and resid 84 and name HE2 )) (( segid " " and resid 84 and name HG2 )) 3.300 1.300 1.300 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 2.374 ppm2 0.539 CV 1 ASSI { 3214} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HG2 )) 3.200 1.300 1.300 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 2.332 ppm2 0.542 CV 1 ASSI { 3215} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HG3 )) 2.000 0.500 0.500 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.38217E-02 ppm1 0.545 ppm2 0.027 CV 1 ASSI { 3217} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name H )) 3.100 1.200 1.200 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 4.625 ppm2 9.013 CV 1 ASSI { 3221} ( segid " " and resid 88 and name HD1%) (( segid " " and resid 88 and name H )) 4.300 2.300 1.700 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.10189E-02 ppm1 0.692 ppm2 9.018 CV 1 ASSI { 3224} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 89 and name H )) 2.900 1.100 1.100 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.67601E-02 ppm1 0.795 ppm2 8.478 CV 1 ASSI { 3225} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 191 and name H )) 2.600 0.800 0.800 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.43872E-02 ppm1 0.751 ppm2 8.428 CV 1 ASSI { 3227} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 90 and name H )) 3.900 1.900 1.900 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 0.794 ppm2 8.807 CV 1 ASSI { 3228} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 71 and name H )) 3.900 1.900 1.900 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.14184E-02 ppm1 0.824 ppm2 7.566 CV 1 ASSI { 3229} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 172 and name HD21)) 3.000 1.200 1.200 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.21089E-02 ppm1 0.793 ppm2 7.387 CV 1 ASSI { 3230} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 71 and name HD% ) 3.800 1.800 1.800 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 0.822 ppm2 7.233 CV 1 ASSI { 3231} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 172 and name HD22)) 2.800 1.000 1.000 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.22646E-02 ppm1 0.790 ppm2 6.981 CV 1 ASSI { 3232} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 71 and name HE% ) 2.300 2.300 3.700 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.18076E-02 ppm1 0.788 ppm2 6.841 CV 1 ASSI { 3233} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 73 and name H )) 3.400 1.500 1.500 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.52098E-02 ppm1 0.822 ppm2 6.779 CV 1 ASSI { 3236} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 88 and name HA )) 2.500 0.800 0.800 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.82528E-02 ppm1 0.796 ppm2 4.627 CV 1 ASSI { 3237} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 190 and name HA )) 3.400 1.500 1.500 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 0.752 ppm2 4.551 CV 1 ASSI { 3238} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HA )) 2.900 1.100 1.100 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.17454E-01 ppm1 0.789 ppm2 4.299 CV 1 ASSI { 3239} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.11404E-01 ppm1 0.821 ppm2 4.216 CV 1 ASSI { 3242} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 189 and name HA )) 2.500 2.500 3.500 peak 3242 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 0.748 ppm2 3.984 CV 1 ASSI { 3243} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 0.822 ppm2 3.923 CV 1 ASSI { 3245} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB2 )) 3.200 1.200 1.200 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.12119E-02 ppm1 4.639 ppm2 1.827 CV 1 ASSI { 3246} ( segid " " and resid 88 and name HD1%) (( segid " " and resid 102 and name HB )) 2.900 1.100 1.100 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.29213E-02 ppm1 0.689 ppm2 1.942 CV 1 ASSI { 3247} ( segid " " and resid 88 and name HD1%) (( segid " " and resid 88 and name HB2 )) 2.600 0.800 0.800 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.38421E-02 ppm1 0.690 ppm2 1.841 CV 1 ASSI { 3248} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 135 and name HB3 )) 3.200 1.300 1.300 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.60897E-02 ppm1 0.790 ppm2 1.979 CV 1 ASSI { 3249} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.75421E-02 ppm1 0.793 ppm2 1.836 CV 1 ASSI { 3250} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HG )) 3.200 1.300 1.300 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 1.846 ppm2 1.300 CV 1 ASSI { 3251} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HB3 )) 2.300 0.700 0.700 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 1.844 ppm2 1.089 CV 1 ASSI { 3252} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HG )) 3.500 1.500 1.500 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 1.084 ppm2 1.294 CV 1 ASSI { 3253} ( segid " " and resid 88 and name HD1%) (( segid " " and resid 88 and name HG )) 2.400 0.700 0.700 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.66653E-02 ppm1 0.689 ppm2 1.290 CV 1 ASSI { 3254} ( segid " " and resid 88 and name HD1%) (( segid " " and resid 88 and name HB3 )) 2.900 1.000 1.000 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.45531E-02 ppm1 0.689 ppm2 1.092 CV 1 ASSI { 3258} (( segid " " and resid 88 and name HA )) ( segid " " and resid 88 and name HD1%) 3.100 1.200 1.200 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.32971E-02 ppm1 4.622 ppm2 0.700 CV 1 ASSI { 3259} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB3 )) 3.100 1.200 1.200 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 4.623 ppm2 1.081 CV 1 ASSI { 3261} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 90 and name HG13)) 2.900 2.900 3.100 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.57548E-02 ppm1 0.789 ppm2 1.194 CV 1 ASSI { 3263} (( segid " " and resid -4 and name HG13)) (( segid " " and resid -4 and name HG12)) 1.700 0.300 0.500 peak 3263 spectrum 1 weight 0.10000E+01 volume 0.17999E-01 ppm1 1.358 ppm2 1.076 CV 1 ASSI { 3264} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 76 and name H )) 4.100 2.100 1.900 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 2.703 ppm2 9.300 CV 1 ASSI { 3265} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name H )) 4.400 2.400 1.600 peak 3265 spectrum 1 weight 0.10000E+01 volume 0.10223E-02 ppm1 2.626 ppm2 9.303 CV 1 ASSI { 3266} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name H )) 2.300 0.700 0.700 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.44582E-02 ppm1 4.732 ppm2 9.310 CV 1 ASSI { 3268} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 5 and name H )) 4.700 2.700 1.300 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.62962E-03 ppm1 2.698 ppm2 8.642 CV 1 ASSI { 3271} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HA )) 2.800 1.000 1.000 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.21800E-02 ppm1 2.696 ppm2 4.722 CV 1 ASSI { 3273} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HA3 )) 4.300 2.300 1.700 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 2.626 ppm2 4.256 CV 1 ASSI { 3274} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 5 and name HB2 )) 3.600 1.700 1.700 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 2.711 ppm2 3.575 CV 1 ASSI { 3275} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 5 and name HB2 )) 4.700 2.800 1.300 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 2.611 ppm2 3.536 CV 1 ASSI { 3276} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HB2 )) 2.000 0.500 0.500 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.71764E-02 ppm1 2.694 ppm2 2.619 CV 1 ASSI { 3277} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 51 and name HD2%) 4.800 2.900 1.200 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 2.680 ppm2 0.706 CV 1 ASSI { 3278} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 74 and name HB3 )) 5.200 3.400 0.800 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.78874E-03 ppm1 2.631 ppm2 1.614 CV 1 ASSI { 3285} (( segid " " and resid 70 and name HA )) (( segid " " and resid 71 and name H )) 3.400 1.400 1.400 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 3.929 ppm2 7.563 CV 1 ASSI { 3288} (( segid " " and resid 70 and name HA )) (( segid " " and resid 67 and name H )) 5.400 3.700 0.600 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 3.927 ppm2 8.135 CV 1 ASSI { 3289} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 66 and name HA )) 4.800 2.800 1.200 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.60592E-03 ppm1 3.115 ppm2 4.372 CV 1 ASSI { 3292} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB3 )) 3.200 1.300 1.300 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.30736E-02 ppm1 3.930 ppm2 3.108 CV 1 ASSI { 3293} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 3.930 ppm2 2.834 CV 1 ASSI { 3296} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 3.400 1.400 1.400 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.23357E-02 ppm1 4.079 ppm2 2.063 CV 1 ASSI { 3297} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB3 )) 3.000 1.100 1.100 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.24779E-02 ppm1 4.076 ppm2 2.028 CV 1 OR { 3297} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 3298} (( segid " " and resid 72 and name HA )) ( segid " " and resid 72 and name HE% ) 4.800 2.800 1.200 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 4.069 ppm2 1.935 CV 1 ASSI { 3299} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HG2 )) 2.900 1.100 1.100 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.23797E-02 ppm1 2.021 ppm2 2.272 CV 1 ASSI { 3304} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name H )) 2.500 0.800 0.800 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.37574E-02 ppm1 4.079 ppm2 7.826 CV 1 ASSI { 3305} (( segid " " and resid 189 and name HG3 )) (( segid " " and resid 190 and name H )) 2.500 2.500 3.500 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 1.994 ppm2 8.621 CV 1 ASSI { 3307} (( segid " " and resid 189 and name HG3 )) (( segid " " and resid 189 and name HA )) 3.700 1.700 1.700 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.18347E-02 ppm1 1.995 ppm2 3.983 CV 1 ASSI { 3309} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 187 and name H )) 3.500 1.500 1.500 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.26642E-02 ppm1 2.057 ppm2 9.147 CV 1 ASSI { 3310} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 187 and name H )) 2.700 0.900 0.900 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.28332E-02 ppm1 1.910 ppm2 9.146 CV 1 OR { 3310} (( segid " " and resid 187 and name HB3 )) (( segid " " and resid 187 and name H )) ASSI { 3311} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name H )) 3.000 1.100 1.100 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 3.825 ppm2 9.142 CV 1 ASSI { 3314} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 188 and name H )) 3.900 1.900 1.900 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.90721E-03 ppm1 1.901 ppm2 7.582 CV 1 OR { 3314} (( segid " " and resid 187 and name HB3 )) (( segid " " and resid 188 and name H )) ASSI { 3315} (( segid " " and resid 187 and name HA )) (( segid " " and resid 186 and name HA )) 4.100 2.100 1.900 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.82257E-03 ppm1 3.843 ppm2 4.304 CV 1 ASSI { 3316} (( segid " " and resid 187 and name HB3 )) (( segid " " and resid 187 and name HA )) 2.600 0.900 0.900 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.48746E-02 ppm1 1.909 ppm2 3.829 CV 1 OR { 3316} (( segid " " and resid 187 and name HB2 )) (( segid " " and resid 187 and name HA )) ASSI { 3317} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 187 and name HA )) 3.300 1.300 1.300 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.46715E-02 ppm1 2.055 ppm2 3.830 CV 1 ASSI { 3318} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 86 and name HD2 )) 2.500 2.500 3.500 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 2.213 ppm2 2.970 CV 1 ASSI { 3319} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 86 and name HD3 )) 4.200 2.200 1.800 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 2.211 ppm2 2.910 CV 1 ASSI { 3320} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 86 and name HD2 )) 2.600 2.600 3.400 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 2.058 ppm2 2.963 CV 1 ASSI { 3322} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 187 and name HB3 )) 2.100 0.500 0.500 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.12833E-01 ppm1 2.052 ppm2 1.911 CV 1 OR { 3322} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 187 and name HB2 )) ASSI { 3330} (( segid " " and resid 59 and name HA3 )) (( segid " " and resid 53 and name H )) 4.100 2.100 1.900 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 3.745 ppm2 8.035 CV 1 ASSI { 3332} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 53 and name H )) 3.100 1.200 1.200 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.92075E-03 ppm1 3.538 ppm2 8.039 CV 1 ASSI { 3333} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 50 and name HZ )) 5.000 3.100 1.000 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 3.550 ppm2 6.733 CV 1 ASSI { 3336} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 59 and name HA3 )) 2.300 0.600 0.600 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.21665E-02 ppm1 3.552 ppm2 3.746 CV 1 ASSI { 3337} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 60 and name HG13)) 4.500 2.500 1.500 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.57210E-03 ppm1 3.544 ppm2 1.319 CV 1 ASSI { 3343} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 136 and name H )) 4.300 2.300 1.700 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.15470E-02 ppm1 1.592 ppm2 8.406 CV 1 ASSI { 3344} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 169 and name H )) 4.100 2.100 1.900 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 1.593 ppm2 8.342 CV 1 OR { 3344} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 169 and name H )) ASSI { 3346} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name H )) 2.700 0.900 0.900 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.31312E-02 ppm1 1.629 ppm2 8.036 CV 1 OR { 3346} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name H )) ASSI { 3347} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 55 and name H )) 3.100 1.200 1.200 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.18889E-02 ppm1 1.628 ppm2 9.273 CV 1 OR { 3347} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 55 and name H )) ASSI { 3348} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name H )) 3.200 1.200 1.200 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 1.191 ppm2 8.041 CV 1 ASSI { 3352} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 184 and name H )) 3.900 1.900 1.900 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.93768E-03 ppm1 1.625 ppm2 7.703 CV 1 OR { 3352} (( segid " " and resid 57 and name HD3 )) (( segid " " and resid 184 and name H )) ASSI { 3353} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 169 and name HA )) 4.700 2.700 1.300 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 1.594 ppm2 4.431 CV 1 OR { 3353} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 169 and name HA )) ASSI { 3354} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.43533E-02 ppm1 1.629 ppm2 4.334 CV 1 OR { 3354} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HA )) ASSI { 3355} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HA )) 3.500 1.500 1.500 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.51183E-02 ppm1 1.595 ppm2 4.257 CV 1 OR { 3355} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HA )) ASSI { 3356} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name HA )) 3.400 1.400 1.400 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.43805E-02 ppm1 1.591 ppm2 4.204 CV 1 OR { 3356} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 138 and name HA )) ASSI { 3358} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 184 and name HA3 )) 3.800 1.800 1.800 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 1.622 ppm2 4.044 CV 1 OR { 3358} (( segid " " and resid 57 and name HD3 )) (( segid " " and resid 184 and name HA3 )) ASSI { 3362} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 138 and name HA )) 2.500 0.800 0.800 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.64689E-02 ppm1 1.779 ppm2 4.195 CV 1 ASSI { 3367} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HE2 )) 3.200 1.300 1.300 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.20785E-02 ppm1 1.289 ppm2 2.920 CV 1 OR { 3367} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HE3 )) ASSI { 3369} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 53 and name HB3 )) 3.700 1.800 1.800 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 1.610 ppm2 2.607 CV 1 OR { 3369} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 53 and name HB3 )) ASSI { 3370} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 55 and name HB3 )) 3.600 1.600 1.600 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.34563E-02 ppm1 1.627 ppm2 2.449 CV 1 OR { 3370} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 55 and name HB3 )) ASSI { 3371} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 136 and name HG3 )) 3.800 1.800 1.800 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.22714E-02 ppm1 1.587 ppm2 2.237 CV 1 ASSI { 3372} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 136 and name HG3 )) 3.500 1.500 1.500 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.48813E-02 ppm1 1.588 ppm2 2.150 CV 1 OR { 3372} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 136 and name HG3 )) OR { 3372} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 136 and name HG2 )) ASSI { 3373} (( segid " " and resid 98 and name HD3 )) (( segid " " and resid 118 and name HB2 )) 2.100 0.500 0.500 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.42923E-02 ppm1 1.591 ppm2 1.985 CV 1 ASSI { 3374} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HB3 )) 2.800 0.900 0.900 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.62624E-02 ppm1 1.627 ppm2 1.908 CV 1 OR { 3374} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HB3 )) ASSI { 3375} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HB2 )) 2.000 0.500 0.500 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.36390E-02 ppm1 1.904 ppm2 1.710 CV 1 ASSI { 3377} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.27319E-02 ppm1 4.339 ppm2 1.717 CV 1 ASSI { 3378} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB3 )) 2.600 0.900 0.900 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.36052E-02 ppm1 4.339 ppm2 1.907 CV 1 ASSI { 3379} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HB3 )) 2.900 1.000 1.000 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.26166E-02 ppm1 1.189 ppm2 1.903 CV 1 ASSI { 3380} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HB2 )) 3.000 1.100 1.100 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 1.189 ppm2 1.720 CV 1 ASSI { 3382} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HB2 )) 2.900 1.100 1.100 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.22138E-02 ppm1 1.289 ppm2 1.722 CV 1 ASSI { 3383} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HD2 )) 2.500 0.800 0.800 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.50066E-02 ppm1 1.289 ppm2 1.625 CV 1 OR { 3383} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HD3 )) ASSI { 3384} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HB3 )) 2.700 0.900 0.900 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.22375E-02 ppm1 1.291 ppm2 1.901 CV 1 ASSI { 3385} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HG2 )) 1.800 0.400 0.400 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.86524E-02 ppm1 1.192 ppm2 1.287 CV 1 ASSI { 3386} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG2 )) 3.200 1.300 1.300 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.28908E-02 ppm1 4.337 ppm2 1.288 CV 1 ASSI { 3387} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG3 )) 2.600 0.900 0.900 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.45394E-02 ppm1 4.336 ppm2 1.190 CV 1 ASSI { 3392} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HG3 )) 2.200 0.600 0.600 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.10616E-01 ppm1 1.629 ppm2 1.191 CV 1 OR { 3392} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HG3 )) ASSI { 3393} (( segid " " and resid 60 and name HG13)) ( segid " " and resid 51 and name HD2%) 4.300 2.300 1.700 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 1.351 ppm2 0.711 CV 1 ASSI { 3396} (( segid " " and resid 57 and name HD3 )) (( segid " " and resid 57 and name HA )) 3.000 1.200 1.200 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 1.666 ppm2 4.137 CV 1 OR { 3396} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HA )) ASSI { 3397} (( segid " " and resid 57 and name HD3 )) (( segid " " and resid 57 and name H )) 3.800 1.800 1.800 peak 3397 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 1.666 ppm2 8.124 CV 1 OR { 3397} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name H )) ASSI { 3398} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name H )) 3.300 1.400 1.400 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 1.776 ppm2 8.025 CV 1 OR { 3398} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 58 and name H )) ASSI { 3399} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name H )) 2.900 1.100 1.100 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.22951E-02 ppm1 1.791 ppm2 8.127 CV 1 OR { 3399} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 57 and name H )) ASSI { 3401} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name H )) 3.500 1.500 1.500 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 4.143 ppm2 8.027 CV 1 ASSI { 3402} (( segid " " and resid 57 and name HG3 )) (( segid " " and resid 57 and name H )) 3.800 1.800 1.800 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 1.464 ppm2 8.125 CV 1 ASSI { 3404} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name H )) 3.500 1.500 1.500 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.12559E-02 ppm1 4.380 ppm2 8.408 CV 1 ASSI { 3406} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB3 )) 3.000 1.100 1.100 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.35307E-02 ppm1 4.382 ppm2 2.596 CV 1 ASSI { 3407} (( segid " " and resid 110 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.37134E-02 ppm1 4.381 ppm2 1.900 CV 1 ASSI { 3408} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG2 )) 3.100 1.200 1.200 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.47459E-02 ppm1 3.957 ppm2 2.156 CV 1 ASSI { 3409} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB3 )) 2.900 1.100 1.100 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.48645E-02 ppm1 3.957 ppm2 2.021 CV 1 ASSI { 3410} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) 2.500 0.800 0.800 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.56463E-02 ppm1 3.955 ppm2 1.946 CV 1 ASSI { 3411} (( segid " " and resid 34 and name HA )) (( segid " " and resid 33 and name HB3 )) 3.400 1.400 1.400 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.17501E-02 ppm1 3.953 ppm2 1.678 CV 1 ASSI { 3412} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG3 )) 3.000 1.100 1.100 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.29281E-02 ppm1 3.957 ppm2 2.428 CV 1 ASSI { 3413} (( segid " " and resid 34 and name HA )) ( segid " " and resid 40 and name HD1%) 3.900 1.900 1.900 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 3.955 ppm2 0.844 CV 1 ASSI { 3414} (( segid " " and resid 52 and name HA )) ( segid " " and resid 51 and name HD2%) 4.100 2.100 1.900 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 3.958 ppm2 0.745 CV 1 ASSI { 3415} (( segid " " and resid 189 and name HA )) (( segid " " and resid 188 and name HB2 )) 3.700 1.800 1.800 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.59238E-03 ppm1 3.961 ppm2 3.221 CV 1 ASSI { 3416} (( segid " " and resid 52 and name HA )) (( segid " " and resid 59 and name HA2 )) 3.500 1.600 1.600 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 3.950 ppm2 3.550 CV 1 ASSI { 3418} (( segid " " and resid 52 and name HA )) (( segid " " and resid 51 and name HA )) 4.100 2.100 1.900 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.84627E-03 ppm1 3.945 ppm2 4.386 CV 1 ASSI { 3419} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HA )) 4.000 2.000 2.000 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.81580E-03 ppm1 3.955 ppm2 4.344 CV 1 ASSI { 3420} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 79 and name HA )) 4.000 2.000 2.000 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.91398E-03 ppm1 3.712 ppm2 4.892 CV 1 ASSI { 3421} (( segid " " and resid 52 and name HA )) ( segid " " and resid 50 and name HD% ) 3.900 1.900 1.900 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 3.952 ppm2 5.501 CV 1 ASSI { 3423} (( segid " " and resid 52 and name HA )) (( segid " " and resid 50 and name HZ )) 4.300 2.300 1.700 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 3.953 ppm2 6.741 CV 1 ASSI { 3424} (( segid " " and resid 52 and name HA )) (( segid " " and resid 60 and name H )) 4.000 2.000 2.000 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 3.961 ppm2 7.238 CV 1 ASSI { 3425} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name H )) 2.900 1.000 1.000 peak 3425 spectrum 1 weight 0.10000E+01 volume 0.35408E-02 ppm1 3.956 ppm2 7.629 CV 1 ASSI { 3426} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name H )) 3.500 1.500 1.500 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 3.957 ppm2 7.524 CV 1 ASSI { 3429} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 67 and name H )) 4.500 2.500 1.500 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.73119E-03 ppm1 1.545 ppm2 8.131 CV 1 ASSI { 3432} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name H )) 4.300 2.400 1.700 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 2.065 ppm2 7.466 CV 1 ASSI { 3434} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 65 and name H )) 2.400 2.400 3.600 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 0.497 ppm2 8.132 CV 1 ASSI { 3436} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 66 and name H )) 3.900 1.900 1.900 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.11746E-02 ppm1 2.249 ppm2 7.467 CV 1 OR { 3436} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name H )) ASSI { 3437} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 67 and name H )) 3.900 1.900 1.900 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.14895E-02 ppm1 2.245 ppm2 8.143 CV 1 OR { 3437} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 67 and name H )) ASSI { 3441} (( segid " " and resid 66 and name HD2 )) ( segid " " and resid 70 and name HE% ) 4.400 2.400 1.600 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 0.487 ppm2 6.538 CV 1 ASSI { 3444} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 66 and name HA )) 3.900 1.900 1.900 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.26371E-02 ppm1 2.251 ppm2 4.393 CV 1 OR { 3444} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HA )) ASSI { 3445} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HA )) 4.200 2.300 1.800 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.17366E-02 ppm1 0.501 ppm2 4.390 CV 1 ASSI { 3446} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 3.100 1.200 1.200 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 2.052 ppm2 4.398 CV 1 ASSI { 3448} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 70 and name HB3 )) 3.400 1.400 1.400 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 0.975 ppm2 3.122 CV 1 OR { 3448} (( segid " " and resid 66 and name HG3 )) (( segid " " and resid 70 and name HB3 )) ASSI { 3452} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HB2 )) 4.000 2.000 2.000 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 2.250 ppm2 2.048 CV 1 OR { 3452} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 66 and name HB2 )) ASSI { 3453} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HB2 )) 2.500 0.800 0.800 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 1.536 ppm2 2.051 CV 1 ASSI { 3456} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 62 and name HB3 )) 4.300 2.300 1.700 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.59577E-03 ppm1 0.853 ppm2 1.395 CV 1 ASSI { 3457} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HB3 )) 3.800 1.800 1.800 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.19972E-02 ppm1 2.248 ppm2 1.536 CV 1 ASSI { 3458} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 62 and name HB3 )) 2.700 0.900 0.900 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 2.243 ppm2 1.404 CV 1 OR { 3458} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 62 and name HB3 )) ASSI { 3459} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HB3 )) 3.100 1.200 1.200 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.10189E-02 ppm1 0.498 ppm2 1.532 CV 1 ASSI { 3460} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HG3 )) 3.100 1.200 1.200 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 1.536 ppm2 0.998 CV 1 OR { 3460} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HG2 )) ASSI { 3463} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HG2 )) 2.200 0.600 0.600 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.10419E-01 ppm1 2.248 ppm2 0.999 CV 1 OR { 3463} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HG3 )) ASSI { 3464} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 66 and name HD3 )) 2.000 0.500 0.500 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.91803E-02 ppm1 2.248 ppm2 0.864 CV 1 OR { 3464} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HD3 )) ASSI { 3466} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HD2 )) 1.900 0.500 0.500 peak 3466 spectrum 1 weight 0.10000E+01 volume 0.93191E-02 ppm1 2.248 ppm2 0.497 CV 1 OR { 3466} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 66 and name HD2 )) ASSI { 3473} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 9 and name H )) 3.900 1.900 1.900 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.30025E-02 ppm1 0.718 ppm2 8.863 CV 1 ASSI { 3476} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 19 and name HZ )) 2.700 0.900 0.900 peak 3476 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 0.720 ppm2 6.967 CV 1 ASSI { 3477} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 7 and name HA )) 4.100 2.100 1.900 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 0.716 ppm2 4.496 CV 1 ASSI { 3478} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HA )) 2.200 0.600 0.600 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.58155E-02 ppm1 0.718 ppm2 4.914 CV 1 ASSI { 3481} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HA )) 3.800 1.800 1.800 peak 3481 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 0.741 ppm2 5.276 CV 1 ASSI { 3483} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.39944E-02 ppm1 0.742 ppm2 4.917 CV 1 ASSI { 3484} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 186 and name HA )) 2.600 2.600 3.400 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 2.067 ppm2 4.336 CV 1 ASSI { 3486} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HB )) 3.000 1.100 1.100 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.52503E-02 ppm1 0.718 ppm2 2.077 CV 1 ASSI { 3487} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 79 and name HB3 )) 2.200 0.600 0.600 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.45495E-02 ppm1 0.719 ppm2 1.814 CV 1 ASSI { 3491} ( segid " " and resid 8 and name HD1%) ( segid " " and resid 49 and name HD2%) 3.400 1.500 1.500 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.60729E-02 ppm1 0.718 ppm2 0.869 CV 1 ASSI { 3492} (( segid " " and resid 8 and name HB )) ( segid " " and resid 8 and name HG2%) 2.400 0.700 0.700 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.46849E-02 ppm1 2.081 ppm2 0.730 CV 1 OR { 3492} (( segid " " and resid 8 and name HB )) ( segid " " and resid 8 and name HD1%) ASSI { 3494} ( segid " " and resid 8 and name HD1%) ( segid " " and resid 32 and name HD1%) 3.100 1.200 1.200 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.19532E-02 ppm1 0.718 ppm2 0.111 CV 1 ASSI { 3495} ( segid " " and resid 8 and name HD1%) ( segid " " and resid 68 and name HD1%) 4.100 2.100 1.900 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 0.715 ppm2 0.308 CV 1 ASSI { 3496} (( segid " " and resid 8 and name HG13)) (( segid " " and resid 32 and name HG13)) 3.600 1.600 1.600 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 1.644 ppm2 0.988 CV 1 ASSI { 3499} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 32 and name HD1%) 2.200 0.600 0.600 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.45495E-02 ppm1 0.741 ppm2 0.109 CV 1 ASSI { 3500} (( segid " " and resid 8 and name HA )) ( segid " " and resid 8 and name HD1%) 2.400 0.700 0.700 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.38861E-02 ppm1 4.916 ppm2 0.722 CV 1 OR { 3500} (( segid " " and resid 8 and name HA )) ( segid " " and resid 8 and name HG2%) ASSI { 3501} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HD22)) 4.500 2.500 1.500 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 2.759 ppm2 6.890 CV 1 OR { 3501} (( segid " " and resid 45 and name HB3 )) (( segid " " and resid 45 and name HD22)) ASSI { 3503} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 2.760 ppm2 1.990 CV 1 ASSI { 3505} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name H )) 4.000 2.000 2.000 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 2.160 ppm2 7.627 CV 1 ASSI { 3506} (( segid " " and resid 34 and name HG3 )) (( segid " " and resid 34 and name H )) 3.900 1.900 1.900 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.31312E-02 ppm1 2.431 ppm2 7.628 CV 1 ASSI { 3508} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name H )) 2.700 0.900 0.900 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 2.022 ppm2 7.529 CV 1 ASSI { 3511} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 35 and name H )) 4.000 2.000 2.000 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.10223E-02 ppm1 2.159 ppm2 7.514 CV 1 ASSI { 3512} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 66 and name H )) 4.300 2.300 1.700 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 2.423 ppm2 7.519 CV 1 ASSI { 3518} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HG3 )) 3.000 1.100 1.100 peak 3518 spectrum 1 weight 0.10000E+01 volume 0.25929E-02 ppm1 2.032 ppm2 2.433 CV 1 ASSI { 3519} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG3 )) 2.900 1.000 1.000 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.29958E-02 ppm1 1.942 ppm2 2.429 CV 1 ASSI { 3523} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name H )) 3.000 1.100 1.100 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.20581E-02 ppm1 3.815 ppm2 7.176 CV 1 ASSI { 3524} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name H )) 3.500 1.500 1.500 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 3.814 ppm2 7.460 CV 1 ASSI { 3525} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HE )) 3.500 1.500 1.500 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 3.824 ppm2 7.632 CV 1 ASSI { 3528} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 31 and name H )) 3.100 1.200 1.200 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 1.470 ppm2 8.343 CV 1 ASSI { 3529} (( segid " " and resid 30 and name HG3 )) (( segid " " and resid 31 and name H )) 3.100 1.200 1.200 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 1.650 ppm2 8.327 CV 1 ASSI { 3532} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name H )) 4.700 2.700 1.300 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 3.165 ppm2 7.172 CV 1 ASSI { 3533} (( segid " " and resid 30 and name HD3 )) (( segid " " and resid 30 and name H )) 4.800 2.800 1.200 peak 3533 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 3.230 ppm2 7.161 CV 1 ASSI { 3536} (( segid " " and resid 30 and name HD3 )) ( segid " " and resid 26 and name HD% ) 2.500 2.500 3.500 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.98846E-03 ppm1 3.235 ppm2 7.077 CV 1 ASSI { 3538} (( segid " " and resid 30 and name HG2 )) ( segid " " and resid 26 and name HD% ) 2.700 2.700 3.300 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 1.481 ppm2 7.076 CV 1 ASSI { 3543} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 27 and name HA )) 3.500 1.600 1.600 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 1.860 ppm2 4.624 CV 1 ASSI { 3545} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HA )) 3.600 1.700 1.700 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.17975E-02 ppm1 1.475 ppm2 3.809 CV 1 ASSI { 3547} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HD2 )) 4.900 3.000 1.100 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 3.813 ppm2 3.151 CV 1 ASSI { 3548} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HD2 )) 3.900 1.900 1.900 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 3.804 ppm2 3.019 CV 1 OR { 3548} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HD3 )) ASSI { 3550} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HD3 )) 3.500 1.500 1.500 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 2.087 ppm2 3.213 CV 1 ASSI { 3552} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 2.106 ppm2 3.813 CV 1 ASSI { 3554} (( segid " " and resid 30 and name HD3 )) (( segid " " and resid 30 and name HB3 )) 3.200 1.300 1.300 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.21563E-02 ppm1 3.231 ppm2 1.859 CV 1 ASSI { 3556} (( segid " " and resid 30 and name HD3 )) (( segid " " and resid 30 and name HG2 )) 2.500 0.800 0.800 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.44244E-02 ppm1 3.231 ppm2 1.473 CV 1 ASSI { 3557} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 3557 spectrum 1 weight 0.10000E+01 volume 0.18957E-02 ppm1 3.151 ppm2 2.104 CV 1 ASSI { 3558} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 34 and name HB3 )) 3.600 1.600 1.600 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.17027E-02 ppm1 3.121 ppm2 2.043 CV 1 ASSI { 3560} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HG2 )) 2.500 0.800 0.800 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.42822E-02 ppm1 3.153 ppm2 1.471 CV 1 ASSI { 3561} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HG3 )) 1.600 0.300 0.600 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.95393E-02 ppm1 1.472 ppm2 1.655 CV 1 ASSI { 3562} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG3 )) 3.000 1.100 1.100 peak 3562 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 2.100 ppm2 1.654 CV 1 ASSI { 3563} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG2 )) 3.300 1.400 1.400 peak 3563 spectrum 1 weight 0.10000E+01 volume 0.18009E-02 ppm1 2.108 ppm2 1.469 CV 1 ASSI { 3564} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HG2 )) 2.600 0.800 0.800 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.22274E-02 ppm1 1.863 ppm2 1.467 CV 1 ASSI { 3565} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB3 )) 2.200 0.600 0.600 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.27420E-02 ppm1 2.103 ppm2 1.861 CV 1 ASSI { 3568} (( segid " " and resid 30 and name HA )) ( segid " " and resid 32 and name HG2%) 3.700 1.700 1.700 peak 3568 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 3.823 ppm2 0.758 CV 1 ASSI { 3569} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HG3 )) 4.000 2.000 2.000 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.59577E-03 ppm1 3.827 ppm2 1.141 CV 1 OR { 3569} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HG2 )) ASSI { 3570} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 26 and name H )) 4.800 2.900 1.200 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.66348E-03 ppm1 2.596 ppm2 8.716 CV 1 OR { 3570} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 26 and name H )) ASSI { 3571} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 107 and name H )) 3.600 1.600 1.600 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 2.601 ppm2 8.522 CV 1 ASSI { 3578} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 24 and name HB3 )) 3.400 1.400 1.400 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.18144E-02 ppm1 2.599 ppm2 1.721 CV 1 OR { 3578} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 24 and name HB2 )) OR { 3578} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 24 and name HB3 )) OR { 3578} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 24 and name HB2 )) ASSI { 3583} (( segid " " and resid 103 and name HB3 )) ( segid " " and resid 102 and name HG1%) 4.600 2.600 1.400 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 2.594 ppm2 0.693 CV 1 ASSI { 3588} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 74 and name H )) 4.600 2.600 1.400 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 0.824 ppm2 8.925 CV 1 ASSI { 3589} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 74 and name H )) 3.300 1.300 1.300 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.67906E-02 ppm1 0.821 ppm2 8.927 CV 1 ASSI { 3590} (( segid " " and resid 73 and name HG )) (( segid " " and resid 74 and name H )) 4.500 2.500 1.500 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.74811E-03 ppm1 1.514 ppm2 8.921 CV 1 ASSI { 3591} (( segid " " and resid 195 and name HG3 )) (( segid " " and resid 196 and name H )) 3.500 1.600 1.600 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 0.822 ppm2 8.346 CV 1 OR { 3591} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 196 and name H )) ASSI { 3592} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 77 and name H )) 4.600 2.600 1.400 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 0.822 ppm2 8.082 CV 1 ASSI { 3593} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 69 and name H )) 3.800 1.800 1.800 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.21800E-02 ppm1 0.820 ppm2 8.083 CV 1 ASSI { 3595} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 72 and name H )) 5.200 3.400 0.800 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 0.817 ppm2 7.835 CV 1 ASSI { 3596} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 72 and name H )) 3.500 1.500 1.500 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 0.833 ppm2 7.823 CV 1 ASSI { 3597} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 60 and name H )) 3.000 1.100 1.100 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 1.491 ppm2 7.230 CV 1 ASSI { 3598} ( segid " " and resid 73 and name HD2%) ( segid " " and resid 71 and name HD% ) 4.000 2.000 2.000 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 0.825 ppm2 7.243 CV 1 ASSI { 3600} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name H )) 3.900 1.900 1.900 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 1.456 ppm2 6.783 CV 1 ASSI { 3602} (( segid " " and resid 178 and name HG3 )) (( segid " " and resid 178 and name HA )) 3.700 1.700 1.700 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.64655E-03 ppm1 1.480 ppm2 4.866 CV 1 ASSI { 3604} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.600 1.600 1.600 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.58900E-03 ppm1 1.492 ppm2 4.223 CV 1 ASSI { 3607} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 71 and name HB3 )) 3.700 1.700 1.700 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.26404E-02 ppm1 0.819 ppm2 3.159 CV 1 ASSI { 3608} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 71 and name HB3 )) 2.800 1.000 1.000 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 0.823 ppm2 3.156 CV 1 ASSI { 3610} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 77 and name HB2 )) 4.400 2.400 1.600 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 0.831 ppm2 2.820 CV 1 ASSI { 3611} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 77 and name HB2 )) 3.800 1.900 1.900 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.26844E-02 ppm1 0.821 ppm2 2.803 CV 1 ASSI { 3612} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 0.821 ppm2 2.685 CV 1 ASSI { 3613} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 77 and name HB3 )) 3.800 1.800 1.800 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.26944E-02 ppm1 0.820 ppm2 2.469 CV 1 ASSI { 3614} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 77 and name HB3 )) 4.600 2.600 1.400 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.64655E-03 ppm1 0.823 ppm2 2.456 CV 1 ASSI { 3615} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 79 and name HG3 )) 3.600 1.700 1.700 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.13202E-02 ppm1 0.823 ppm2 2.137 CV 1 OR { 3615} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 79 and name HG2 )) ASSI { 3616} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 119 and name HB )) 2.200 0.600 0.600 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.19126E-02 ppm1 0.823 ppm2 1.946 CV 1 ASSI { 3617} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HB2 )) 2.300 0.700 0.700 peak 3617 spectrum 1 weight 0.10000E+01 volume 0.15030E-02 ppm1 1.335 ppm2 1.470 CV 1 OR { 3617} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HG )) ASSI { 3623} (( segid " " and resid 73 and name HB3 )) ( segid " " and resid 73 and name HD2%) 2.700 0.900 0.900 peak 3623 spectrum 1 weight 0.10000E+01 volume 0.24034E-02 ppm1 1.331 ppm2 0.824 CV 1 OR { 3623} (( segid " " and resid 73 and name HB3 )) ( segid " " and resid 73 and name HD1%) ASSI { 3624} (( segid " " and resid 73 and name HB3 )) ( segid " " and resid 51 and name HD2%) 2.900 1.100 1.100 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 1.324 ppm2 0.709 CV 1 ASSI { 3626} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 72 and name HB2 )) 3.800 3.800 2.200 peak 3626 spectrum 1 weight 0.10000E+01 volume 0.27994E-02 ppm1 0.816 ppm2 2.138 CV 1 ASSI { 3627} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 62 and name HD1%) 4.700 2.800 1.300 peak 3627 spectrum 1 weight 0.10000E+01 volume 0.74473E-03 ppm1 1.493 ppm2 0.397 CV 1 ASSI { 3628} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 62 and name HD1%) 2.900 1.000 1.000 peak 3628 spectrum 1 weight 0.10000E+01 volume 0.24068E-02 ppm1 0.819 ppm2 0.406 CV 1 ASSI { 3629} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 68 and name HD2%) 3.100 1.200 1.200 peak 3629 spectrum 1 weight 0.10000E+01 volume 0.22375E-02 ppm1 0.821 ppm2 0.310 CV 1 OR { 3629} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 68 and name HD1%) ASSI { 3631} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 62 and name HD2%) 3.100 1.200 1.200 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.25354E-02 ppm1 0.821 ppm2 -0.164 CV 1 ASSI { 3632} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 62 and name HD2%) 4.200 2.200 1.800 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 1.503 ppm2 -0.166 CV 1 ASSI { 3634} (( segid " " and resid 72 and name HB3 )) (( segid " " and resid 72 and name HG3 )) 3.200 1.300 1.300 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.24610E-02 ppm1 2.029 ppm2 2.329 CV 1 ASSI { 3635} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name H )) 2.600 0.800 0.800 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.22646E-02 ppm1 4.455 ppm2 8.926 CV 1 ASSI { 3636} (( segid " " and resid 97 and name HB )) (( segid " " and resid 92 and name H )) 4.700 2.800 1.300 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 1.788 ppm2 8.935 CV 1 ASSI { 3638} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name H )) 3.600 1.600 1.600 peak 3638 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 1.640 ppm2 8.929 CV 1 ASSI { 3640} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name H )) 2.700 0.900 0.900 peak 3640 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 1.610 ppm2 8.927 CV 1 ASSI { 3641} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name H )) 3.300 1.400 1.400 peak 3641 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 1.560 ppm2 8.923 CV 1 ASSI { 3642} (( segid " " and resid 68 and name HG )) (( segid " " and resid 68 and name H )) 2.600 0.900 0.900 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 1.616 ppm2 8.364 CV 1 ASSI { 3643} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 75 and name H )) 3.900 1.900 1.900 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.21800E-02 ppm1 1.560 ppm2 8.363 CV 1 ASSI { 3646} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name H )) 2.400 0.700 0.700 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.71188E-02 ppm1 4.452 ppm2 8.362 CV 1 ASSI { 3647} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 75 and name H )) 3.500 1.500 1.500 peak 3647 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 3.184 ppm2 8.363 CV 1 ASSI { 3648} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 75 and name H )) 4.000 2.000 2.000 peak 3648 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 3.113 ppm2 8.357 CV 1 ASSI { 3649} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name H )) 3.700 1.700 1.700 peak 3649 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 3.184 ppm2 8.934 CV 1 ASSI { 3650} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 74 and name H )) 4.100 2.100 1.900 peak 3650 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 3.113 ppm2 8.926 CV 1 ASSI { 3653} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 32 and name H )) 3.800 1.800 1.800 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.56871E-03 ppm1 3.115 ppm2 8.102 CV 1 ASSI { 3656} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HA )) 3.800 1.800 1.800 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 3.182 ppm2 4.452 CV 1 ASSI { 3657} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HA )) 3.100 1.200 1.200 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.27826E-02 ppm1 1.617 ppm2 4.449 CV 1 ASSI { 3658} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HA )) 3.200 1.300 1.300 peak 3658 spectrum 1 weight 0.10000E+01 volume 0.32056E-02 ppm1 1.562 ppm2 4.450 CV 1 ASSI { 3662} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.24339E-02 ppm1 1.613 ppm2 4.213 CV 1 ASSI { 3663} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.800 1.800 1.800 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 1.559 ppm2 4.210 CV 1 ASSI { 3664} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HD2 )) 2.900 1.000 1.000 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.29314E-02 ppm1 1.560 ppm2 3.182 CV 1 ASSI { 3665} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HD3 )) 2.800 1.000 1.000 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.23967E-02 ppm1 1.561 ppm2 3.111 CV 1 ASSI { 3668} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HD2 )) 4.000 2.000 2.000 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 1.627 ppm2 3.178 CV 1 ASSI { 3669} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HD3 )) 3.700 1.700 1.700 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 1.621 ppm2 3.124 CV 1 ASSI { 3671} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 34 and name HG3 )) 5.200 3.300 0.800 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 3.113 ppm2 2.431 CV 1 ASSI { 3672} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.600 0.900 0.900 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 4.451 ppm2 1.725 CV 1 ASSI { 3673} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB3 )) 2.200 0.600 0.600 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.55413E-02 ppm1 4.452 ppm2 1.614 CV 1 ASSI { 3674} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB3 )) 1.800 0.400 0.400 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.10003E-01 ppm1 1.723 ppm2 1.620 CV 1 OR { 3674} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HG3 )) ASSI { 3675} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HB2 )) 1.900 0.500 0.500 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.40959E-02 ppm1 1.629 ppm2 1.723 CV 1 ASSI { 3676} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 3676 spectrum 1 weight 0.10000E+01 volume 0.43973E-02 ppm1 3.181 ppm2 1.717 CV 1 ASSI { 3677} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HG3 )) 2.200 2.200 3.800 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.11885E-01 ppm1 3.183 ppm2 1.610 CV 1 ASSI { 3678} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 74 and name HG3 )) 2.200 0.600 0.600 peak 3678 spectrum 1 weight 0.10000E+01 volume 0.13933E-01 ppm1 3.111 ppm2 1.611 CV 1 ASSI { 3679} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.57512E-02 ppm1 3.114 ppm2 1.720 CV 1 ASSI { 3681} (( segid " " and resid 74 and name HA )) ( segid " " and resid 4 and name HD2%) 2.600 0.900 0.900 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.33852E-02 ppm1 4.454 ppm2 0.708 CV 1 OR { 3681} (( segid " " and resid 74 and name HA )) ( segid " " and resid 4 and name HD1%) ASSI { 3683} (( segid " " and resid 105 and name HA )) (( segid " " and resid 106 and name H )) 3.300 1.400 1.400 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 4.150 ppm2 7.250 CV 1 ASSI { 3685} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 3.000 1.100 1.100 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.21868E-02 ppm1 4.155 ppm2 3.713 CV 1 ASSI { 3686} (( segid " " and resid 105 and name HA )) (( segid " " and resid 61 and name HB3 )) 4.700 2.700 1.300 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.62285E-03 ppm1 4.159 ppm2 3.133 CV 1 ASSI { 3687} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB3 )) 3.100 1.200 1.200 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 4.157 ppm2 2.420 CV 1 ASSI { 3688} (( segid " " and resid 105 and name HA )) (( segid " " and resid 106 and name HG3 )) 4.600 2.700 1.400 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 4.155 ppm2 1.180 CV 1 ASSI { 3689} (( segid " " and resid 182 and name HG2 )) (( segid " " and resid 179 and name H )) 4.200 2.300 1.800 peak 3689 spectrum 1 weight 0.10000E+01 volume 0.78197E-03 ppm1 2.574 ppm2 9.377 CV 1 ASSI { 3690} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 179 and name H )) 4.900 3.000 1.100 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.78874E-03 ppm1 2.239 ppm2 9.400 CV 1 ASSI { 3695} (( segid " " and resid 182 and name HB3 )) (( segid " " and resid 183 and name H )) 3.500 1.500 1.500 peak 3695 spectrum 1 weight 0.10000E+01 volume 0.64994E-03 ppm1 2.324 ppm2 7.159 CV 1 ASSI { 3697} (( segid " " and resid 182 and name HG2 )) (( segid " " and resid 183 and name H )) 4.900 3.000 1.100 peak 3697 spectrum 1 weight 0.10000E+01 volume 0.60254E-03 ppm1 2.573 ppm2 7.171 CV 1 ASSI { 3700} (( segid " " and resid 182 and name HG2 )) (( segid " " and resid 183 and name HA )) 4.700 2.700 1.300 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.76166E-03 ppm1 2.581 ppm2 4.486 CV 1 ASSI { 3701} (( segid " " and resid 182 and name HB2 )) (( segid " " and resid 182 and name HA )) 2.700 0.900 0.900 peak 3701 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 1.942 ppm2 4.384 CV 1 ASSI { 3702} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 182 and name HA )) 3.400 1.400 1.400 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 2.214 ppm2 4.382 CV 1 ASSI { 3706} (( segid " " and resid 182 and name HA )) (( segid " " and resid 57 and name HA )) 3.400 1.400 1.400 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 4.388 ppm2 4.137 CV 1 ASSI { 3707} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name HG2 )) 4.000 2.000 2.000 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 4.383 ppm2 2.566 CV 1 ASSI { 3709} (( segid " " and resid 182 and name HB2 )) (( segid " " and resid 182 and name HG2 )) 2.700 0.900 0.900 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.29348E-02 ppm1 1.950 ppm2 2.560 CV 1 ASSI { 3710} (( segid " " and resid 182 and name HB3 )) (( segid " " and resid 182 and name HG3 )) 2.900 1.000 1.000 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 2.319 ppm2 2.229 CV 1 ASSI { 3711} (( segid " " and resid 182 and name HB3 )) (( segid " " and resid 182 and name HB2 )) 1.900 0.500 0.500 peak 3711 spectrum 1 weight 0.10000E+01 volume 0.48273E-02 ppm1 2.323 ppm2 1.941 CV 1 ASSI { 3713} (( segid " " and resid 182 and name HA )) (( segid " " and resid 57 and name HB3 )) 3.000 1.100 1.100 peak 3713 spectrum 1 weight 0.10000E+01 volume 0.18618E-02 ppm1 4.389 ppm2 1.785 CV 1 ASSI { 3714} (( segid " " and resid 182 and name HB3 )) (( segid " " and resid 181 and name HB3 )) 3.800 1.800 1.800 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.84627E-03 ppm1 2.313 ppm2 1.767 CV 1 ASSI { 3715} (( segid " " and resid 182 and name HA )) (( segid " " and resid 57 and name HD3 )) 3.700 1.800 1.800 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 4.389 ppm2 1.643 CV 1 OR { 3715} (( segid " " and resid 182 and name HA )) (( segid " " and resid 57 and name HD2 )) ASSI { 3717} (( segid " " and resid 182 and name HG2 )) (( segid " " and resid 182 and name HB3 )) 2.700 0.900 0.900 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.27386E-02 ppm1 2.572 ppm2 2.308 CV 1 ASSI { 3723} (( segid " " and resid 80 and name HA )) (( segid " " and resid 9 and name H )) 2.900 1.000 1.000 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 5.175 ppm2 8.855 CV 1 ASSI { 3725} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name H )) 2.700 0.900 0.900 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 1.979 ppm2 9.162 CV 1 OR { 3725} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 80 and name H )) ASSI { 3727} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name H )) 4.500 2.500 1.500 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 2.023 ppm2 9.157 CV 1 ASSI { 3728} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 80 and name H )) 4.100 2.100 1.900 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 2.399 ppm2 9.166 CV 1 ASSI { 3729} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 9 and name H )) 3.800 1.800 1.800 peak 3729 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 2.396 ppm2 8.851 CV 1 ASSI { 3730} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 81 and name H )) 4.200 2.200 1.800 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 2.404 ppm2 8.550 CV 1 ASSI { 3731} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 81 and name H )) 3.400 1.500 1.500 peak 3731 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 2.018 ppm2 8.552 CV 1 ASSI { 3732} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 132 and name H )) 4.100 2.100 1.900 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 1.982 ppm2 8.617 CV 1 ASSI { 3733} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 81 and name H )) 3.600 1.600 1.600 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.16722E-02 ppm1 1.996 ppm2 8.557 CV 1 ASSI { 3735} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name H )) 3.300 1.400 1.400 peak 3735 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 2.016 ppm2 8.126 CV 1 ASSI { 3736} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 80 and name HA )) 3.000 1.100 1.100 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 2.398 ppm2 5.166 CV 1 ASSI { 3737} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 8 and name HA )) 4.300 2.300 1.700 peak 3737 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 2.401 ppm2 4.897 CV 1 ASSI { 3738} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HA )) 3.200 1.300 1.300 peak 3738 spectrum 1 weight 0.10000E+01 volume 0.15267E-02 ppm1 2.021 ppm2 5.168 CV 1 ASSI { 3739} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 1.998 ppm2 5.172 CV 1 OR { 3739} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 80 and name HA )) ASSI { 3742} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 9 and name HB3 )) 2.700 0.900 0.900 peak 3742 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 2.398 ppm2 3.667 CV 1 ASSI { 3743} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 9 and name HB2 )) 3.700 1.700 1.700 peak 3743 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 2.400 ppm2 3.571 CV 1 ASSI { 3745} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 9 and name HB3 )) 3.900 1.900 1.900 peak 3745 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 2.026 ppm2 3.672 CV 1 ASSI { 3746} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 52 and name HB2 )) 3.300 1.300 1.300 peak 3746 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 1.996 ppm2 3.672 CV 1 ASSI { 3747} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HD3 )) 2.600 0.800 0.800 peak 3747 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 1.986 ppm2 3.056 CV 1 ASSI { 3748} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HD2 )) 3.800 1.800 1.800 peak 3748 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 1.991 ppm2 2.963 CV 1 ASSI { 3749} (( segid " " and resid 178 and name HB3 )) (( segid " " and resid 178 and name HD3 )) 3.900 1.900 1.900 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.91398E-03 ppm1 2.025 ppm2 3.077 CV 1 OR { 3749} (( segid " " and resid 178 and name HB3 )) (( segid " " and resid 178 and name HD2 )) ASSI { 3750} (( segid " " and resid 178 and name HB3 )) (( segid " " and resid 178 and name HA )) 3.700 1.700 1.700 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 2.022 ppm2 4.888 CV 1 ASSI { 3751} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 79 and name HA )) 4.300 2.300 1.700 peak 3751 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 1.982 ppm2 4.901 CV 1 ASSI { 3752} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HA )) 4.400 2.400 1.600 peak 3752 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 5.180 ppm2 5.429 CV 1 ASSI { 3753} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 81 and name HA )) 3.800 1.800 1.800 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 1.968 ppm2 5.423 CV 1 ASSI { 3756} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HG3 )) 1.900 0.400 0.400 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.83037E-02 ppm1 2.020 ppm2 2.398 CV 1 ASSI { 3757} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 3.000 1.100 1.100 peak 3757 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 5.177 ppm2 1.995 CV 1 OR { 3757} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG2 )) OR { 3757} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB3 )) ASSI { 3758} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 80 and name HG2 )) 1.800 0.400 0.400 peak 3758 spectrum 1 weight 0.10000E+01 volume 0.12329E-01 ppm1 2.400 ppm2 2.012 CV 1 OR { 3758} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 80 and name HB2 )) ASSI { 3759} (( segid " " and resid 80 and name HA )) (( segid " " and resid 82 and name HG2 )) 4.200 2.200 1.800 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 5.185 ppm2 1.464 CV 1 ASSI { 3760} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HB3 )) 1.800 0.400 0.400 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.33886E-02 ppm1 1.983 ppm2 1.527 CV 1 ASSI { 3761} (( segid " " and resid 80 and name HB3 )) (( segid " " and resid 82 and name HG2 )) 2.400 0.700 0.700 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.33919E-02 ppm1 1.984 ppm2 1.478 CV 1 ASSI { 3762} (( segid " " and resid 178 and name HB3 )) (( segid " " and resid 178 and name HG3 )) 3.300 1.300 1.300 peak 3762 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 2.003 ppm2 1.521 CV 1 ASSI { 3763} (( segid " " and resid 80 and name HG3 )) (( segid " " and resid 82 and name HG2 )) 4.200 2.200 1.800 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 2.401 ppm2 1.470 CV 1 ASSI { 3767} (( segid " " and resid 80 and name HA )) ( segid " " and resid 8 and name HG2%) 3.600 1.600 1.600 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 5.177 ppm2 0.727 CV 1 ASSI { 3768} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 172 and name H )) 3.400 1.500 1.500 peak 3768 spectrum 1 weight 0.10000E+01 volume 0.69700E-02 ppm1 0.617 ppm2 8.334 CV 1 ASSI { 3769} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 171 and name H )) 3.500 1.500 1.500 peak 3769 spectrum 1 weight 0.10000E+01 volume 0.63066E-02 ppm1 0.695 ppm2 8.192 CV 1 ASSI { 3770} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name H )) 3.100 1.200 1.200 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 4.405 ppm2 8.445 CV 1 ASSI { 3771} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name H )) 2.900 1.100 1.100 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 1.501 ppm2 8.436 CV 1 ASSI { 3772} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 52 and name H )) 4.100 2.100 1.900 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 1.486 ppm2 8.141 CV 1 ASSI { 3773} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name H )) 4.500 2.500 1.500 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 0.943 ppm2 8.144 CV 1 ASSI { 3775} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 52 and name H )) 2.800 1.000 1.000 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.79414E-02 ppm1 0.777 ppm2 8.142 CV 1 ASSI { 3777} (( segid " " and resid 51 and name HG )) (( segid " " and resid 52 and name H )) 4.400 2.500 1.600 peak 3777 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 1.301 ppm2 8.143 CV 1 ASSI { 3778} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 80 and name H )) 4.800 2.900 1.200 peak 3778 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 0.776 ppm2 9.159 CV 1 ASSI { 3779} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 74 and name H )) 4.700 2.800 1.300 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 0.775 ppm2 8.923 CV 1 ASSI { 3780} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name H )) 3.900 1.900 1.900 peak 3780 spectrum 1 weight 0.10000E+01 volume 0.25422E-02 ppm1 0.777 ppm2 8.438 CV 1 ASSI { 3781} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 60 and name H )) 4.200 2.200 1.800 peak 3781 spectrum 1 weight 0.10000E+01 volume 0.80905E-03 ppm1 0.944 ppm2 7.226 CV 1 ASSI { 3782} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 60 and name H )) 3.500 1.600 1.600 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.23493E-02 ppm1 0.777 ppm2 7.235 CV 1 ASSI { 3784} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 0.946 ppm2 4.414 CV 1 ASSI { 3785} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 50 and name HA )) 4.800 2.900 1.200 peak 3785 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 1.499 ppm2 4.690 CV 1 ASSI { 3786} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name HA )) 2.900 1.000 1.000 peak 3786 spectrum 1 weight 0.10000E+01 volume 0.94344E-02 ppm1 0.776 ppm2 4.414 CV 1 ASSI { 3787} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 73 and name HA )) 3.900 1.900 1.900 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 0.780 ppm2 4.219 CV 1 ASSI { 3788} (( segid " " and resid 51 and name HG )) (( segid " " and resid 51 and name HA )) 3.600 1.600 1.600 peak 3788 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 1.306 ppm2 4.412 CV 1 ASSI { 3789} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 52 and name HA )) 3.700 1.700 1.700 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.13303E-02 ppm1 0.777 ppm2 3.955 CV 1 ASSI { 3790} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 52 and name HB2 )) 3.700 1.700 1.700 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.19363E-02 ppm1 0.776 ppm2 3.709 CV 1 ASSI { 3791} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HB2 )) 4.300 2.300 1.700 peak 3791 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 4.422 ppm2 3.709 CV 1 ASSI { 3792} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 71 and name HB3 )) 3.800 1.800 1.800 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.14793E-02 ppm1 0.774 ppm2 3.159 CV 1 ASSI { 3793} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 77 and name HB2 )) 3.800 1.800 1.800 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 0.776 ppm2 2.804 CV 1 ASSI { 3794} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 71 and name HB2 )) 4.400 2.400 1.600 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.14217E-02 ppm1 0.782 ppm2 2.674 CV 1 ASSI { 3795} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 77 and name HB3 )) 3.200 1.300 1.300 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.22545E-02 ppm1 0.777 ppm2 2.460 CV 1 ASSI { 3796} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HB3 )) 1.800 0.400 0.400 peak 3796 spectrum 1 weight 0.10000E+01 volume 0.39843E-02 ppm1 0.945 ppm2 1.498 CV 1 ASSI { 3798} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 79 and name HG3 )) 3.500 1.500 1.500 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.59510E-02 ppm1 0.776 ppm2 2.143 CV 1 OR { 3798} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 79 and name HG2 )) ASSI { 3799} (( segid " " and resid 51 and name HG )) (( segid " " and resid 51 and name HB3 )) 2.600 0.800 0.800 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.34868E-02 ppm1 1.299 ppm2 1.497 CV 1 ASSI { 3800} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HD2%) 2.500 0.800 0.800 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.32294E-02 ppm1 4.416 ppm2 0.773 CV 1 OR { 3800} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HD1%) ASSI { 3803} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 51 and name HD2%) 3.100 1.200 1.200 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.31516E-02 ppm1 0.950 ppm2 0.745 CV 1 OR { 3803} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 51 and name HD1%) ASSI { 3804} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 51 and name HD2%) 3.000 1.100 1.100 peak 3804 spectrum 1 weight 0.10000E+01 volume 0.39403E-02 ppm1 1.507 ppm2 0.725 CV 1 ASSI { 3805} (( segid " " and resid 51 and name HG )) (( segid " " and resid 51 and name HB2 )) 2.300 0.600 0.600 peak 3805 spectrum 1 weight 0.10000E+01 volume 0.31345E-02 ppm1 1.300 ppm2 0.941 CV 1 ASSI { 3807} (( segid " " and resid 51 and name HG )) ( segid " " and resid 62 and name HD1%) 3.300 1.300 1.300 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 1.302 ppm2 0.399 CV 1 ASSI { 3808} ( segid " " and resid 51 and name HD1%) ( segid " " and resid 62 and name HD1%) 3.500 1.500 1.500 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.50167E-02 ppm1 0.776 ppm2 0.397 CV 1 ASSI { 3809} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 62 and name HD1%) 3.000 1.100 1.100 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 0.946 ppm2 0.403 CV 1 ASSI { 3811} ( segid " " and resid 51 and name HD1%) ( segid " " and resid 62 and name HD2%) 3.300 1.400 1.400 peak 3811 spectrum 1 weight 0.10000E+01 volume 0.57512E-02 ppm1 0.778 ppm2 -0.162 CV 1 ASSI { 3814} (( segid " " and resid 47 and name HA )) (( segid " " and resid 84 and name H )) 2.300 0.700 0.700 peak 3814 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 4.870 ppm2 8.105 CV 1 ASSI { 3821} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.300 1.300 1.300 peak 3821 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 4.876 ppm2 2.552 CV 1 ASSI { 3828} (( segid " " and resid 131 and name HA )) (( segid " " and resid 132 and name H )) 2.400 0.700 0.700 peak 3828 spectrum 1 weight 0.10000E+01 volume 0.26032E-02 ppm1 4.434 ppm2 8.628 CV 1 ASSI { 3829} (( segid " " and resid 131 and name HB3 )) (( segid " " and resid 131 and name HA )) 2.600 0.900 0.900 peak 3829 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 1.537 ppm2 4.432 CV 1 ASSI { 3832} ( segid " " and resid -4 and name HG2%) (( segid " " and resid -4 and name HA )) 3.300 1.400 1.400 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 0.761 ppm2 4.124 CV 1 ASSI { 3833} (( segid " " and resid -4 and name HA )) (( segid " " and resid -4 and name HB )) 2.600 0.900 0.900 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.45833E-02 ppm1 4.119 ppm2 1.728 CV 1 ASSI { 3834} (( segid " " and resid -4 and name HA )) (( segid " " and resid -4 and name HG13)) 3.300 1.400 1.400 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 4.117 ppm2 1.341 CV 1 ASSI { 3835} (( segid " " and resid -4 and name HA )) (( segid " " and resid -4 and name HG12)) 3.500 1.500 1.500 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.18076E-02 ppm1 4.120 ppm2 1.075 CV 1 ASSI { 3836} (( segid " " and resid -4 and name HB )) ( segid " " and resid -4 and name HG2%) 2.500 0.800 0.800 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.82766E-02 ppm1 1.730 ppm2 0.783 CV 1 OR { 3836} (( segid " " and resid -4 and name HB )) ( segid " " and resid -4 and name HD1%) ASSI { 3837} (( segid " " and resid -4 and name HB )) (( segid " " and resid -4 and name HG12)) 3.400 1.400 1.400 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 1.724 ppm2 1.076 CV 1 ASSI { 3838} (( segid " " and resid -4 and name HB )) (( segid " " and resid -4 and name HG13)) 3.000 1.100 1.100 peak 3838 spectrum 1 weight 0.10000E+01 volume 0.22545E-02 ppm1 1.727 ppm2 1.341 CV 1 ASSI { 3842} ( segid " " and resid -4 and name HD1%) (( segid " " and resid -3 and name H )) 2.300 2.300 3.700 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.17602E-02 ppm1 0.787 ppm2 8.373 CV 1 ASSI { 3843} (( segid " " and resid 90 and name HG12)) (( segid " " and resid 90 and name HA )) 3.500 1.600 1.600 peak 3843 spectrum 1 weight 0.10000E+01 volume 0.78874E-03 ppm1 1.104 ppm2 5.047 CV 1 ASSI { 3844} (( segid " " and resid 90 and name HG13)) (( segid " " and resid 90 and name HA )) 4.200 2.200 1.800 peak 3844 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 1.203 ppm2 5.042 CV 1 ASSI { 3847} (( segid " " and resid 90 and name HG12)) ( segid " " and resid 92 and name HE% ) 4.800 2.900 1.200 peak 3847 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 1.102 ppm2 1.903 CV 1 ASSI { 3849} (( segid " " and resid 90 and name HG13)) (( segid " " and resid 90 and name HG12)) 1.600 0.300 0.600 peak 3849 spectrum 1 weight 0.10000E+01 volume 0.80430E-02 ppm1 1.205 ppm2 1.107 CV 1 ASSI { 3851} (( segid " " and resid 90 and name HG13)) ( segid " " and resid 92 and name HE% ) 4.500 2.500 1.500 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.83273E-03 ppm1 1.209 ppm2 1.905 CV 1 ASSI { 3853} (( segid " " and resid 90 and name HG12)) ( segid " " and resid 90 and name HD1%) 2.100 0.500 0.500 peak 3853 spectrum 1 weight 0.10000E+01 volume 0.97355E-02 ppm1 1.107 ppm2 0.636 CV 1 ASSI { 3855} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 65 and name H )) 4.800 2.800 1.200 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 2.046 ppm2 8.153 CV 1 ASSI { 3856} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name H )) 2.400 0.700 0.700 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.54129E-02 ppm1 4.217 ppm2 8.429 CV 1 ASSI { 3859} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 63 and name H )) 3.400 1.500 1.500 peak 3859 spectrum 1 weight 0.10000E+01 volume 0.27826E-02 ppm1 2.283 ppm2 8.483 CV 1 ASSI { 3860} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name H )) 2.900 1.100 1.100 peak 3860 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 2.056 ppm2 8.483 CV 1 ASSI { 3862} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 65 and name H )) 2.600 0.800 0.800 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 2.282 ppm2 8.156 CV 1 ASSI { 3863} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 3863 spectrum 1 weight 0.10000E+01 volume 0.53044E-02 ppm1 2.283 ppm2 4.214 CV 1 ASSI { 3866} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 66 and name H )) 5.100 3.300 0.900 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.88012E-03 ppm1 2.058 ppm2 7.475 CV 1 ASSI { 3867} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 66 and name H )) 3.300 1.400 1.400 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 2.281 ppm2 7.467 CV 1 ASSI { 3868} (( segid " " and resid 186 and name HG3 )) (( segid " " and resid 189 and name H )) 5.100 3.300 0.900 peak 3868 spectrum 1 weight 0.10000E+01 volume 0.65671E-03 ppm1 2.390 ppm2 6.932 CV 1 ASSI { 3869} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 71 and name HE% ) 4.500 2.500 1.500 peak 3869 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 2.398 ppm2 6.857 CV 1 ASSI { 3870} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name H )) 3.100 1.200 1.200 peak 3870 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 4.214 ppm2 8.485 CV 1 ASSI { 3872} ( segid " " and resid 180 and name HD1%) (( segid " " and resid 179 and name HB )) 2.500 2.500 3.500 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 0.736 ppm2 4.708 CV 1 ASSI { 3873} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HA )) 2.900 1.000 1.000 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.23967E-02 ppm1 2.054 ppm2 4.214 CV 1 ASSI { 3874} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 64 and name HA )) 3.700 1.700 1.700 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 2.280 ppm2 3.895 CV 1 ASSI { 3877} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HB2 )) 1.900 0.400 0.400 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.67568E-02 ppm1 2.057 ppm2 1.924 CV 1 ASSI { 3878} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HG2 )) 2.700 0.900 0.900 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 2.056 ppm2 2.396 CV 1 ASSI { 3880} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 63 and name HB3 )) 2.800 0.900 0.900 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.64994E-02 ppm1 2.282 ppm2 2.054 CV 1 ASSI { 3881} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 63 and name HB2 )) 2.300 0.700 0.700 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.48542E-02 ppm1 2.282 ppm2 1.921 CV 1 ASSI { 3887} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 66 and name HB3 )) 2.800 1.000 1.000 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.18212E-02 ppm1 2.282 ppm2 1.520 CV 1 ASSI { 3888} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 64 and name HB% ) 5.400 3.600 0.600 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 2.054 ppm2 1.521 CV 1 ASSI { 3890} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 86 and name H )) 3.700 1.700 1.700 peak 3890 spectrum 1 weight 0.10000E+01 volume 0.61608E-03 ppm1 1.568 ppm2 9.304 CV 1 ASSI { 3891} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 86 and name H )) 4.300 2.300 1.700 peak 3891 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 2.071 ppm2 9.313 CV 1 ASSI { 3892} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 86 and name H )) 4.000 2.000 2.000 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 1.890 ppm2 9.311 CV 1 ASSI { 3893} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 84 and name H )) 4.000 2.000 2.000 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 2.071 ppm2 8.078 CV 1 ASSI { 3894} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 84 and name H )) 3.600 1.600 1.600 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 1.882 ppm2 8.074 CV 1 ASSI { 3895} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 85 and name H )) 2.500 0.800 0.800 peak 3895 spectrum 1 weight 0.10000E+01 volume 0.34563E-02 ppm1 2.073 ppm2 7.126 CV 1 ASSI { 3897} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name H )) 2.200 0.600 0.600 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.37912E-02 ppm1 1.887 ppm2 7.125 CV 1 ASSI { 3903} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HA )) 2.600 0.900 0.900 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.29384E-02 ppm1 1.887 ppm2 4.686 CV 1 ASSI { 3904} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 46 and name HA )) 3.700 1.700 1.700 peak 3904 spectrum 1 weight 0.10000E+01 volume 0.12999E-02 ppm1 1.886 ppm2 4.477 CV 1 ASSI { 3905} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 85 and name HA )) 3.500 1.500 1.500 peak 3905 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 2.072 ppm2 4.688 CV 1 ASSI { 3906} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 46 and name HA )) 4.100 2.100 1.900 peak 3906 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 2.073 ppm2 4.474 CV 1 ASSI { 3907} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 3907 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 1.876 ppm2 4.183 CV 1 ASSI { 3908} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 103 and name HA )) 4.400 2.400 1.600 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 2.071 ppm2 4.171 CV 1 ASSI { 3913} (( segid " " and resid 85 and name HB2 )) ( segid " " and resid 101 and name HE% ) 2.600 0.900 0.900 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.18246E-02 ppm1 1.566 ppm2 1.749 CV 1 ASSI { 3914} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 85 and name HG2 )) 1.400 0.300 0.800 peak 3914 spectrum 1 weight 0.10000E+01 volume 0.19759E-01 ppm1 2.072 ppm2 1.887 CV 1 ASSI { 3916} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HB2 )) 2.500 0.800 0.800 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.54230E-02 ppm1 1.889 ppm2 1.557 CV 1 ASSI { 3917} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 85 and name HB2 )) 1.900 0.500 0.500 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.66314E-02 ppm1 2.073 ppm2 1.555 CV 1 ASSI { 3918} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 85 and name HB3 )) 2.500 0.800 0.800 peak 3918 spectrum 1 weight 0.10000E+01 volume 0.57615E-02 ppm1 2.076 ppm2 1.617 CV 1 ASSI { 3919} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HB3 )) 2.400 0.700 0.700 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.48645E-02 ppm1 1.889 ppm2 1.614 CV 1 ASSI { 3921} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 84 and name HB2 )) 3.300 1.400 1.400 peak 3921 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 1.885 ppm2 1.149 CV 1 ASSI { 3922} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 83 and name HG2 )) 2.900 1.100 1.100 peak 3922 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 2.077 ppm2 0.915 CV 1 OR { 3922} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 83 and name HG3 )) ASSI { 3923} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 83 and name HG2 )) 3.700 1.700 1.700 peak 3923 spectrum 1 weight 0.10000E+01 volume 0.13574E-02 ppm1 1.887 ppm2 0.925 CV 1 OR { 3923} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 83 and name HG3 )) ASSI { 3924} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 84 and name HB2 )) 4.200 2.200 1.800 peak 3924 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 2.068 ppm2 1.145 CV 1 ASSI { 3925} (( segid " " and resid 85 and name HB3 )) (( segid " " and resid 83 and name HG2 )) 4.300 2.300 1.700 peak 3925 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 1.613 ppm2 0.935 CV 1 ASSI { 3926} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 46 and name HB3 )) 3.200 1.300 1.300 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 1.886 ppm2 2.626 CV 1 ASSI { 3927} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name H )) 3.000 1.100 1.100 peak 3927 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 4.806 ppm2 9.307 CV 1 ASSI { 3928} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name H )) 2.600 0.800 0.800 peak 3928 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 1.508 ppm2 9.316 CV 1 ASSI { 3929} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 86 and name H )) 4.700 2.800 1.300 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.64655E-03 ppm1 1.456 ppm2 9.312 CV 1 ASSI { 3930} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HE )) 4.400 2.400 1.600 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.59238E-03 ppm1 1.508 ppm2 7.382 CV 1 ASSI { 3931} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 104 and name H )) 5.000 3.100 1.000 peak 3931 spectrum 1 weight 0.10000E+01 volume 0.57887E-03 ppm1 2.904 ppm2 8.379 CV 1 ASSI { 3935} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HA )) 3.000 1.200 1.200 peak 3935 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 1.811 ppm2 4.802 CV 1 OR { 3935} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) ASSI { 3936} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HD3 )) 1.800 0.400 0.400 peak 3936 spectrum 1 weight 0.10000E+01 volume 0.47865E-02 ppm1 2.979 ppm2 2.910 CV 1 ASSI { 3937} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HD2 )) 2.700 0.900 0.900 peak 3937 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 1.495 ppm2 2.974 CV 1 ASSI { 3938} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HD3 )) 3.000 1.100 1.100 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.88012E-03 ppm1 1.517 ppm2 2.914 CV 1 ASSI { 3939} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 3939 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 1.449 ppm2 2.622 CV 1 ASSI { 3940} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HG3 )) 2.900 1.000 1.000 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 2.909 ppm2 1.483 CV 1 OR { 3940} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HG2 )) ASSI { 3941} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HG2 )) 2.600 0.800 0.800 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.19363E-02 ppm1 2.983 ppm2 1.474 CV 1 OR { 3941} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HG3 )) ASSI { 3942} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HB2 )) 3.400 1.500 1.500 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 2.903 ppm2 1.808 CV 1 OR { 3942} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HB3 )) ASSI { 3943} (( segid " " and resid 86 and name HD3 )) ( segid " " and resid 101 and name HE% ) 4.000 2.000 2.000 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 2.896 ppm2 1.726 CV 1 ASSI { 3944} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HG3 )) 3.500 1.500 1.500 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 4.819 ppm2 1.511 CV 1 ASSI { 3945} (( segid " " and resid 86 and name HG3 )) ( segid " " and resid 102 and name HG2%) 4.000 2.000 2.000 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 1.487 ppm2 0.741 CV 1 OR { 3945} (( segid " " and resid 86 and name HG3 )) ( segid " " and resid 102 and name HG1%) ASSI { 3946} (( segid " " and resid 86 and name HD3 )) ( segid " " and resid 102 and name HG2%) 3.000 1.100 1.100 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 2.909 ppm2 0.728 CV 1 OR { 3946} (( segid " " and resid 86 and name HD3 )) ( segid " " and resid 102 and name HG1%) ASSI { 3948} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name H )) 3.500 1.500 1.500 peak 3948 spectrum 1 weight 0.10000E+01 volume 0.22917E-02 ppm1 4.168 ppm2 9.273 CV 1 ASSI { 3949} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name H )) 2.800 0.900 0.900 peak 3949 spectrum 1 weight 0.10000E+01 volume 0.61303E-02 ppm1 2.540 ppm2 8.262 CV 1 ASSI { 3951} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 55 and name H )) 2.600 0.800 0.800 peak 3951 spectrum 1 weight 0.10000E+01 volume 0.26438E-02 ppm1 2.542 ppm2 9.272 CV 1 ASSI { 3953} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name H )) 2.200 0.600 0.600 peak 3953 spectrum 1 weight 0.10000E+01 volume 0.69971E-02 ppm1 4.127 ppm2 8.275 CV 1 ASSI { 3956} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name H )) 3.900 1.900 1.900 peak 3956 spectrum 1 weight 0.10000E+01 volume 0.22714E-02 ppm1 2.453 ppm2 9.267 CV 1 ASSI { 3958} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 197 and name H )) 2.700 0.900 0.900 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.15741E-02 ppm1 2.424 ppm2 7.549 CV 1 ASSI { 3959} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 55 and name HA )) 4.400 2.400 1.600 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 2.535 ppm2 4.940 CV 1 ASSI { 3962} (( segid " " and resid 54 and name HA )) (( segid " " and resid 53 and name HA )) 3.800 1.800 1.800 peak 3962 spectrum 1 weight 0.10000E+01 volume 0.14285E-02 ppm1 4.166 ppm2 4.582 CV 1 ASSI { 3963} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HA )) 2.700 0.900 0.900 peak 3963 spectrum 1 weight 0.10000E+01 volume 0.86456E-02 ppm1 2.543 ppm2 4.168 CV 1 ASSI { 3965} (( segid " " and resid 54 and name HB3 )) (( segid " " and resid 54 and name HB2 )) 1.600 0.300 0.600 peak 3965 spectrum 1 weight 0.10000E+01 volume 0.26303E-01 ppm1 2.542 ppm2 2.453 CV 1 ASSI { 3970} (( segid " " and resid 135 and name HA )) (( segid " " and resid 137 and name HB2 )) 4.200 2.200 1.800 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 4.129 ppm2 1.685 CV 1 ASSI { 3971} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 126 and name HB3 )) 2.700 0.900 0.900 peak 3971 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 2.442 ppm2 2.106 CV 1 ASSI { 3973} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 126 and name HB2 )) 3.000 1.100 1.100 peak 3973 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 2.440 ppm2 1.811 CV 1 ASSI { 3974} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 58 and name H )) 3.200 1.300 1.300 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 2.879 ppm2 8.047 CV 1 ASSI { 3975} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HA )) 3.900 1.900 1.900 peak 3975 spectrum 1 weight 0.10000E+01 volume 0.76166E-03 ppm1 4.865 ppm2 3.914 CV 1 ASSI { 3976} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HA )) 2.100 0.600 0.600 peak 3976 spectrum 1 weight 0.10000E+01 volume 0.39809E-02 ppm1 1.676 ppm2 4.684 CV 1 ASSI { 3977} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 3977 spectrum 1 weight 0.10000E+01 volume 0.44107E-02 ppm1 1.582 ppm2 4.689 CV 1 ASSI { 3978} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 82 and name H )) 4.600 2.600 1.400 peak 3978 spectrum 1 weight 0.10000E+01 volume 0.56532E-03 ppm1 3.104 ppm2 8.667 CV 1 ASSI { 3979} (( segid " " and resid 81 and name HA )) (( segid " " and resid 49 and name HB3 )) 4.000 2.000 2.000 peak 3979 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 5.417 ppm2 1.288 CV 1 ASSI { 3980} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HG2 )) 4.100 2.100 1.900 peak 3980 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 5.419 ppm2 1.472 CV 1 ASSI { 3983} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name H )) 3.200 1.300 1.300 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.35002E-02 ppm1 1.893 ppm2 7.673 CV 1 ASSI { 3984} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 118 and name H )) 3.100 1.200 1.200 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.44073E-02 ppm1 3.157 ppm2 7.673 CV 1 ASSI { 3986} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name H )) 3.200 1.300 1.300 peak 3986 spectrum 1 weight 0.10000E+01 volume 0.34798E-02 ppm1 1.776 ppm2 7.672 CV 1 ASSI { 3987} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 117 and name H )) 5.300 3.500 0.700 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 1.774 ppm2 7.782 CV 1 ASSI { 3988} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 119 and name H )) 3.900 1.900 1.900 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 1.776 ppm2 7.463 CV 1 ASSI { 3989} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 119 and name H )) 4.300 2.300 1.700 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.16452E-02 ppm1 3.158 ppm2 7.457 CV 1 ASSI { 3990} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 119 and name H )) 3.600 1.600 1.600 peak 3990 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 1.899 ppm2 7.460 CV 1 ASSI { 3991} (( segid " " and resid 118 and name HA )) (( segid " " and resid 120 and name H )) 3.400 1.400 1.400 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.10122E-02 ppm1 4.097 ppm2 7.552 CV 1 ASSI { 3994} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name H )) 2.800 1.000 1.000 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 4.110 ppm2 8.629 CV 1 ASSI { 3995} (( segid " " and resid 91 and name HD3 )) (( segid " " and resid 95 and name HA2 )) 3.000 1.200 1.200 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 3.158 ppm2 4.288 CV 1 ASSI { 3996} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 118 and name HA )) 2.000 0.500 0.500 peak 3996 spectrum 1 weight 0.10000E+01 volume 0.17508E-01 ppm1 3.157 ppm2 4.104 CV 1 OR { 3996} (( segid " " and resid 118 and name HD2 )) (( segid " " and resid 118 and name HA )) ASSI { 3997} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name HA )) 3.500 1.500 1.500 peak 3997 spectrum 1 weight 0.10000E+01 volume 0.34258E-02 ppm1 1.775 ppm2 4.104 CV 1 ASSI { 3998} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 115 and name HA )) 4.000 2.000 2.000 peak 3998 spectrum 1 weight 0.10000E+01 volume 0.89028E-03 ppm1 1.954 ppm2 3.370 CV 1 ASSI { 4001} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 115 and name HA )) 2.800 1.000 1.000 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 1.773 ppm2 3.361 CV 1 ASSI { 4002} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HD3 )) 3.200 1.300 1.300 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.58732E-02 ppm1 4.105 ppm2 3.154 CV 1 ASSI { 4006} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name HB2 )) 2.000 0.500 0.500 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.62456E-02 ppm1 1.776 ppm2 1.905 CV 1 OR { 4006} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name HB3 )) ASSI { 4007} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name HB2 )) 2.000 0.500 0.500 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.54907E-02 ppm1 1.774 ppm2 1.953 CV 1 ASSI { 4008} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 118 and name HB2 )) 2.000 0.500 0.500 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.65503E-02 ppm1 1.636 ppm2 1.955 CV 1 ASSI { 4009} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 118 and name HB3 )) 2.300 0.700 0.700 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.10446E-01 ppm1 3.156 ppm2 1.899 CV 1 OR { 4009} (( segid " " and resid 118 and name HD2 )) (( segid " " and resid 118 and name HB3 )) ASSI { 4010} (( segid " " and resid 118 and name HD2 )) (( segid " " and resid 118 and name HG3 )) 1.900 0.400 0.400 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.15592E-01 ppm1 3.156 ppm2 1.773 CV 1 OR { 4010} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 118 and name HG3 )) ASSI { 4011} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 118 and name HB2 )) 2.800 1.000 1.000 peak 4011 spectrum 1 weight 0.10000E+01 volume 0.89400E-02 ppm1 3.158 ppm2 1.949 CV 1 OR { 4011} (( segid " " and resid 118 and name HD2 )) (( segid " " and resid 118 and name HB2 )) ASSI { 4014} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HG3 )) 2.100 0.500 0.500 peak 4014 spectrum 1 weight 0.10000E+01 volume 0.58021E-02 ppm1 1.898 ppm2 1.790 CV 1 ASSI { 4016} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) 3.000 1.100 1.100 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.29619E-02 ppm1 4.106 ppm2 1.628 CV 1 ASSI { 4017} (( segid " " and resid 118 and name HA )) ( segid " " and resid 117 and name HB% ) 3.400 1.500 1.500 peak 4017 spectrum 1 weight 0.10000E+01 volume 0.21326E-02 ppm1 4.109 ppm2 1.426 CV 1 ASSI { 4019} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HG2 )) 2.600 0.900 0.900 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.41026E-02 ppm1 1.895 ppm2 1.631 CV 1 ASSI { 4020} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 118 and name HG2 )) 1.700 0.400 0.500 peak 4020 spectrum 1 weight 0.10000E+01 volume 0.16837E-01 ppm1 3.156 ppm2 1.633 CV 1 OR { 4020} (( segid " " and resid 118 and name HD2 )) (( segid " " and resid 118 and name HG2 )) ASSI { 4021} (( segid " " and resid 118 and name HG3 )) (( segid " " and resid 118 and name HG2 )) 1.400 0.200 0.800 peak 4021 spectrum 1 weight 0.10000E+01 volume 0.15175E-01 ppm1 1.777 ppm2 1.634 CV 1 ASSI { 4022} (( segid " " and resid 91 and name HD3 )) (( segid " " and resid 91 and name HG3 )) 2.800 1.000 1.000 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 3.160 ppm2 1.424 CV 1 OR { 4022} (( segid " " and resid 91 and name HD3 )) (( segid " " and resid 91 and name HB2 )) ASSI { 4023} (( segid " " and resid 118 and name HD2 )) (( segid " " and resid 100 and name HG12)) 4.000 2.000 2.000 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.18212E-02 ppm1 3.157 ppm2 1.257 CV 1 OR { 4023} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 100 and name HG12)) ASSI { 4024} (( segid " " and resid 118 and name HD2 )) ( segid " " and resid 114 and name HG2%) 2.600 0.800 0.800 peak 4024 spectrum 1 weight 0.10000E+01 volume 0.44311E-02 ppm1 3.157 ppm2 1.163 CV 1 OR { 4024} (( segid " " and resid 118 and name HD3 )) ( segid " " and resid 114 and name HG2%) ASSI { 4025} (( segid " " and resid 118 and name HD2 )) (( segid " " and resid 100 and name HG13)) 2.700 0.900 0.900 peak 4025 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 3.156 ppm2 1.072 CV 1 OR { 4025} (( segid " " and resid 118 and name HD3 )) (( segid " " and resid 100 and name HG13)) ASSI { 4026} (( segid " " and resid 132 and name HA )) ( segid " " and resid 192 and name HD1%) 3.900 1.900 1.900 peak 4026 spectrum 1 weight 0.10000E+01 volume 0.35240E-02 ppm1 4.110 ppm2 0.713 CV 1 ASSI { 4029} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 119 and name HD1%) 2.400 0.700 0.700 peak 4029 spectrum 1 weight 0.10000E+01 volume 0.20852E-02 ppm1 1.954 ppm2 0.639 CV 1 ASSI { 4030} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 100 and name HG2%) 4.200 2.200 1.800 peak 4030 spectrum 1 weight 0.10000E+01 volume 0.23527E-02 ppm1 1.892 ppm2 0.641 CV 1 OR { 4030} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 100 and name HD1%) ASSI { 4032} (( segid " " and resid 118 and name HD2 )) ( segid " " and resid 100 and name HD1%) 3.200 1.300 1.300 peak 4032 spectrum 1 weight 0.10000E+01 volume 0.73356E-02 ppm1 3.157 ppm2 0.681 CV 1 ASSI { 4033} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) 2.500 0.800 0.800 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.38522E-02 ppm1 3.587 ppm2 1.902 CV 1 ASSI { 4036} ( segid " " and resid 101 and name HE% ) ( segid " " and resid 102 and name HG2%) 4.000 2.000 2.000 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.34765E-02 ppm1 1.749 ppm2 0.732 CV 1 ASSI { 4037} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 1.800 0.400 0.400 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.92786E-02 ppm1 1.746 ppm2 1.899 CV 1 OR { 4037} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HB2 )) ASSI { 4038} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HB2 )) 1.900 0.500 0.500 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.49356E-02 ppm1 1.747 ppm2 1.903 CV 1 ASSI { 4040} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 101 and name HG3 )) 2.200 0.600 0.600 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.13805E-01 ppm1 1.748 ppm2 2.498 CV 1 ASSI { 4041} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 101 and name HG2 )) 2.700 0.900 0.900 peak 4041 spectrum 1 weight 0.10000E+01 volume 0.11415E-01 ppm1 1.748 ppm2 2.444 CV 1 ASSI { 4042} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HG3 )) 2.900 1.100 1.100 peak 4042 spectrum 1 weight 0.10000E+01 volume 0.40148E-02 ppm1 1.743 ppm2 2.315 CV 1 ASSI { 4046} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HG3 )) 3.100 1.200 1.200 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 1.749 ppm2 2.300 CV 1 ASSI { 4047} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HG3 )) 1.900 0.500 0.500 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.10111E-01 ppm1 1.744 ppm2 2.300 CV 1 OR { 4047} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HG3 )) ASSI { 4050} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name HA )) 3.200 1.200 1.200 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 1.746 ppm2 3.588 CV 1 OR { 4050} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HA )) ASSI { 4051} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 87 and name HD2 )) 3.200 1.300 1.300 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.54163E-02 ppm1 1.749 ppm2 3.645 CV 1 ASSI { 4052} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 87 and name HD3 )) 2.100 0.600 0.600 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.81918E-02 ppm1 1.749 ppm2 3.513 CV 1 ASSI { 4053} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 83 and name HE3 )) 2.500 0.800 0.800 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.30873E-02 ppm1 1.748 ppm2 2.783 CV 1 ASSI { 4054} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 100 and name HA )) 2.200 2.200 3.800 peak 4054 spectrum 1 weight 0.10000E+01 volume 0.22849E-02 ppm1 1.748 ppm2 4.268 CV 1 ASSI { 4057} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 85 and name HE21)) 4.800 2.800 1.200 peak 4057 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 1.750 ppm2 6.469 CV 1 ASSI { 4058} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 85 and name HE22)) 4.800 2.900 1.200 peak 4058 spectrum 1 weight 0.10000E+01 volume 0.16756E-02 ppm1 1.750 ppm2 7.286 CV 1 ASSI { 4059} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 85 and name H )) 3.500 1.600 1.600 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.26980E-02 ppm1 1.752 ppm2 7.124 CV 1 ASSI { 4062} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 114 and name H )) 4.600 2.600 1.400 peak 4062 spectrum 1 weight 0.10000E+01 volume 0.98846E-03 ppm1 2.306 ppm2 7.465 CV 1 ASSI { 4063} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name H )) 3.700 1.700 1.700 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.73796E-03 ppm1 1.749 ppm2 7.643 CV 1 ASSI { 4064} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name H )) 3.300 1.300 1.300 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.19261E-02 ppm1 1.746 ppm2 7.642 CV 1 OR { 4064} (( segid " " and resid 113 and name HG2 )) (( segid " " and resid 113 and name H )) ASSI { 4065} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 86 and name H )) 2.600 0.900 0.900 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.39910E-02 ppm1 1.749 ppm2 9.317 CV 1 ASSI { 4066} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 88 and name H )) 3.400 1.500 1.500 peak 4066 spectrum 1 weight 0.10000E+01 volume 0.24745E-02 ppm1 1.747 ppm2 9.018 CV 1 ASSI { 4067} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 102 and name H )) 2.900 1.100 1.100 peak 4067 spectrum 1 weight 0.10000E+01 volume 0.45937E-02 ppm1 1.748 ppm2 8.819 CV 1 ASSI { 4068} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 88 and name H )) 4.500 2.500 1.500 peak 4068 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 1.918 ppm2 9.011 CV 1 ASSI { 4069} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 101 and name H )) 3.600 1.600 1.600 peak 4069 spectrum 1 weight 0.10000E+01 volume 0.44445E-02 ppm1 1.749 ppm2 8.323 CV 1 ASSI { 4070} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.300 0.700 0.700 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.12173E-01 ppm1 4.651 ppm2 2.845 CV 1 OR { 4070} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 4072} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name H )) 2.900 1.000 1.000 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.25084E-02 ppm1 4.493 ppm2 7.162 CV 1 ASSI { 4073} (( segid " " and resid 183 and name HB2 )) (( segid " " and resid 183 and name H )) 3.000 1.100 1.100 peak 4073 spectrum 1 weight 0.10000E+01 volume 0.92075E-03 ppm1 2.161 ppm2 7.164 CV 1 ASSI { 4076} (( segid " " and resid 183 and name HG2 )) (( segid " " and resid 183 and name HE21)) 3.400 1.400 1.400 peak 4076 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 2.237 ppm2 6.512 CV 1 ASSI { 4077} (( segid " " and resid 183 and name HG3 )) (( segid " " and resid 183 and name HE21)) 3.200 1.200 1.200 peak 4077 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 2.515 ppm2 6.488 CV 1 ASSI { 4078} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HE21)) 5.000 3.100 1.000 peak 4078 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 4.504 ppm2 6.497 CV 1 ASSI { 4079} (( segid " " and resid 183 and name HA )) (( segid " " and resid 184 and name H )) 3.200 1.300 1.300 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 4.494 ppm2 7.707 CV 1 ASSI { 4084} (( segid " " and resid 183 and name HG2 )) (( segid " " and resid 183 and name HG3 )) 2.300 0.600 0.600 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.20344E-02 ppm1 2.250 ppm2 2.540 CV 1 ASSI { 4087} (( segid " " and resid 183 and name HG2 )) (( segid " " and resid 183 and name HB3 )) 2.900 1.000 1.000 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 2.255 ppm2 2.062 CV 1 ASSI { 4088} (( segid " " and resid 183 and name HB2 )) (( segid " " and resid 183 and name HG3 )) 3.200 1.300 1.300 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.82257E-03 ppm1 2.155 ppm2 2.534 CV 1 ASSI { 4089} (( segid " " and resid 183 and name HB3 )) (( segid " " and resid 183 and name HG3 )) 3.500 1.500 1.500 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 2.049 ppm2 2.531 CV 1 ASSI { 4090} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HG3 )) 3.100 1.200 1.200 peak 4090 spectrum 1 weight 0.10000E+01 volume 0.24440E-02 ppm1 4.494 ppm2 2.542 CV 1 ASSI { 4091} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HB2 )) 3.000 1.100 1.100 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.35847E-02 ppm1 4.494 ppm2 2.167 CV 1 ASSI { 4092} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HB3 )) 2.600 0.900 0.900 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.32428E-02 ppm1 4.493 ppm2 2.065 CV 1 ASSI { 4093} (( segid " " and resid 183 and name HA )) (( segid " " and resid 183 and name HG2 )) 2.800 1.000 1.000 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.29213E-02 ppm1 4.492 ppm2 2.247 CV 1 ASSI { 4095} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 91 and name HE )) 3.000 1.100 1.100 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.35679E-02 ppm1 0.696 ppm2 7.892 CV 1 ASSI { 4096} (( segid " " and resid 193 and name HG )) (( segid " " and resid 193 and name H )) 3.700 1.700 1.700 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 1.368 ppm2 7.893 CV 1 ASSI { 4097} (( segid " " and resid 192 and name HG )) (( segid " " and resid 192 and name H )) 2.600 0.900 0.900 peak 4097 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 1.368 ppm2 9.086 CV 1 ASSI { 4098} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 192 and name H )) 3.200 1.300 1.300 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.35475E-02 ppm1 0.697 ppm2 9.089 CV 1 ASSI { 4100} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 128 and name H )) 3.300 1.400 1.400 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.30500E-02 ppm1 0.735 ppm2 8.851 CV 1 ASSI { 4105} (( segid " " and resid 192 and name HB3 )) (( segid " " and resid 192 and name HA )) 2.800 1.000 1.000 peak 4105 spectrum 1 weight 0.10000E+01 volume 0.10392E-02 ppm1 1.540 ppm2 4.707 CV 1 ASSI { 4107} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 75 and name HB2 )) 4.100 2.100 1.900 peak 4107 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 0.696 ppm2 2.605 CV 1 ASSI { 4110} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 192 and name HG )) 1.700 0.400 0.500 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.37439E-01 ppm1 0.696 ppm2 1.365 CV 1 ASSI { 4111} (( segid " " and resid 193 and name HG )) (( segid " " and resid 193 and name HB3 )) 3.400 1.400 1.400 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 1.377 ppm2 1.826 CV 1 ASSI { 4112} (( segid " " and resid 192 and name HG )) (( segid " " and resid 192 and name HB3 )) 2.800 1.000 1.000 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.36628E-02 ppm1 1.370 ppm2 1.537 CV 1 ASSI { 4113} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name HG )) 1.900 0.500 0.500 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.18652E-01 ppm1 0.777 ppm2 1.300 CV 1 ASSI { 4116} (( segid " " and resid 192 and name HG )) ( segid " " and resid 130 and name HG2%) 3.700 1.800 1.800 peak 4116 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 1.363 ppm2 0.486 CV 1 ASSI { 4117} (( segid " " and resid 192 and name HB2 )) ( segid " " and resid 192 and name HD2%) 3.100 1.200 1.200 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.21902E-02 ppm1 1.405 ppm2 0.705 CV 1 OR { 4117} (( segid " " and resid 192 and name HB2 )) ( segid " " and resid 192 and name HD1%) ASSI { 4118} (( segid " " and resid 191 and name HB2 )) (( segid " " and resid 191 and name H )) 3.200 1.300 1.300 peak 4118 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 1.616 ppm2 8.423 CV 1 ASSI { 4119} (( segid " " and resid 191 and name HA )) (( segid " " and resid 191 and name H )) 3.100 1.200 1.200 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.93090E-03 ppm1 4.892 ppm2 8.428 CV 1 ASSI { 4120} (( segid " " and resid 191 and name HB2 )) (( segid " " and resid 192 and name H )) 4.100 2.100 1.900 peak 4120 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 1.611 ppm2 9.086 CV 1 ASSI { 4122} (( segid " " and resid 191 and name HA )) (( segid " " and resid 191 and name HB3 )) 2.800 0.900 0.900 peak 4122 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 4.895 ppm2 1.250 CV 1 ASSI { 4124} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 181 and name H )) 4.500 2.500 1.500 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 1.616 ppm2 8.765 CV 1 ASSI { 4125} (( segid " " and resid 191 and name HG )) (( segid " " and resid 191 and name H )) 3.400 1.500 1.500 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 1.631 ppm2 8.443 CV 1 ASSI { 4126} (( segid " " and resid 47 and name HB2 )) ( segid " " and resid 47 and name HE% ) 4.900 3.000 1.100 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.59577E-03 ppm1 2.551 ppm2 7.092 CV 1 ASSI { 4128} (( segid " " and resid 173 and name HA )) ( segid " " and resid 174 and name HD2%) 3.900 1.900 1.900 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.18483E-02 ppm1 4.656 ppm2 0.672 CV 1 ASSI { 4132} (( segid " " and resid 127 and name HB3 )) ( segid " " and resid 127 and name HE% ) 4.600 2.600 1.400 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.74473E-03 ppm1 2.817 ppm2 6.629 CV 1 OR { 4132} (( segid " " and resid 127 and name HB2 )) ( segid " " and resid 127 and name HE% ) ASSI { 4134} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 61 and name HH2 )) 3.400 1.400 1.400 peak 4134 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 2.145 ppm2 6.494 CV 1 ASSI { 4135} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 61 and name HZ2 )) 3.800 1.800 1.800 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 2.144 ppm2 7.148 CV 1 ASSI { 4140} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 51 and name H )) 4.300 2.300 1.700 peak 4140 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 2.131 ppm2 8.428 CV 1 ASSI { 4141} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name H )) 3.100 1.200 1.200 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 2.175 ppm2 9.135 CV 1 ASSI { 4144} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HA )) 3.200 1.300 1.300 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.14116E-02 ppm1 2.143 ppm2 4.707 CV 1 ASSI { 4145} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HA )) 2.800 1.000 1.000 peak 4145 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 2.434 ppm2 4.710 CV 1 ASSI { 4150} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 82 and name HB3 )) 3.800 1.800 1.800 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 2.140 ppm2 1.697 CV 1 ASSI { 4151} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HB3 )) 2.700 0.900 0.900 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.16485E-02 ppm1 2.436 ppm2 1.694 CV 1 ASSI { 4152} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HG2 )) 2.500 0.800 0.800 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.32090E-02 ppm1 2.436 ppm2 1.459 CV 1 OR { 4152} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HB2 )) ASSI { 4153} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 82 and name HG2 )) 2.500 0.800 0.800 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.36323E-02 ppm1 2.140 ppm2 1.463 CV 1 OR { 4153} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 82 and name HB2 )) ASSI { 4154} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 82 and name HG3 )) 2.600 0.800 0.800 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.22071E-02 ppm1 2.140 ppm2 1.540 CV 1 ASSI { 4156} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 3.800 1.800 1.800 peak 4156 spectrum 1 weight 0.10000E+01 volume 0.75489E-03 ppm1 4.881 ppm2 3.030 CV 1 ASSI { 4157} ( segid " " and resid 0 and name HG2%) (( segid " " and resid 1 and name H )) 3.900 1.900 1.900 peak 4157 spectrum 1 weight 0.10000E+01 volume 0.35917E-02 ppm1 1.138 ppm2 8.150 CV 1 ASSI { 4158} ( segid " " and resid 0 and name HG2%) (( segid " " and resid 0 and name H )) 2.400 0.700 0.700 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.98032E-02 ppm1 1.138 ppm2 8.043 CV 1 ASSI { 4159} ( segid " " and resid 0 and name HG2%) (( segid " " and resid 2 and name H )) 4.300 2.300 1.700 peak 4159 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 1.136 ppm2 7.966 CV 1 ASSI { 4160} (( segid " " and resid 0 and name HA )) (( segid " " and resid 2 and name H )) 4.000 2.000 2.000 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 4.200 ppm2 7.968 CV 1 ASSI { 4161} (( segid " " and resid 0 and name HA )) (( segid " " and resid -1 and name HA )) 4.500 2.600 1.500 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 4.199 ppm2 4.526 CV 1 ASSI { 4162} ( segid " " and resid 0 and name HG2%) (( segid " " and resid -1 and name HA )) 4.100 2.100 1.900 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.25354E-02 ppm1 1.140 ppm2 4.532 CV 1 ASSI { 4163} ( segid " " and resid 0 and name HG2%) (( segid " " and resid 0 and name HA )) 1.900 0.500 0.500 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.41962E-01 ppm1 1.139 ppm2 4.201 CV 1 ASSI { 4164} ( segid " " and resid 0 and name HG2%) (( segid " " and resid 0 and name HB )) 1.800 0.400 0.400 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.29759E-01 ppm1 1.137 ppm2 4.139 CV 1 ASSI { 4165} (( segid " " and resid 0 and name HB )) (( segid " " and resid 1 and name HB3 )) 4.800 2.900 1.200 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.80228E-03 ppm1 4.142 ppm2 1.960 CV 1 ASSI { 4167} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 28 and name HB% ) 3.300 1.400 1.400 peak 4167 spectrum 1 weight 0.10000E+01 volume 0.52842E-02 ppm1 2.052 ppm2 1.013 CV 1 ASSI { 4168} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 68 and name HD1%) 2.200 2.200 3.800 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.21259E-02 ppm1 2.054 ppm2 0.315 CV 1 ASSI { 4169} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 31 and name H )) 3.000 1.100 1.100 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.44073E-02 ppm1 2.050 ppm2 8.328 CV 1 ASSI { 4170} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 32 and name H )) 3.700 1.700 1.700 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 2.051 ppm2 8.096 CV 1 ASSI { 4171} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 28 and name H )) 3.400 1.400 1.400 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.23391E-02 ppm1 2.051 ppm2 8.609 CV 1 ASSI { 4172} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 20 and name H )) 2.700 0.900 0.900 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 2.051 ppm2 9.210 CV 1 ASSI { 4173} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 19 and name HD% ) 2.000 0.500 0.500 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.11239E-01 ppm1 2.051 ppm2 7.066 CV 1 ASSI { 4174} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 19 and name HA )) 2.600 0.800 0.800 peak 4174 spectrum 1 weight 0.10000E+01 volume 0.53553E-02 ppm1 2.050 ppm2 4.850 CV 1 ASSI { 4175} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 28 and name HA )) 2.100 0.600 0.600 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.59409E-02 ppm1 2.051 ppm2 4.239 CV 1 ASSI { 4176} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.61678E-02 ppm1 2.052 ppm2 3.880 CV 1 ASSI { 4177} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 31 and name HB3 )) 2.800 1.000 1.000 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.71630E-02 ppm1 2.051 ppm2 2.345 CV 1 ASSI { 4178} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 17 and name HE% ) 2.500 0.800 0.800 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.11557E-01 ppm1 2.051 ppm2 1.675 CV 1 ASSI { 4179} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 30 and name HG2 )) 2.600 0.900 0.900 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.77383E-02 ppm1 2.048 ppm2 1.468 CV 1 ASSI { 4180} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 23 and name HG2%) 1.900 0.500 0.500 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.21983E-01 ppm1 2.051 ppm2 1.365 CV 1 ASSI { 4181} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name H )) 3.000 1.100 1.100 peak 4181 spectrum 1 weight 0.10000E+01 volume 0.35917E-02 ppm1 4.650 ppm2 8.086 CV 1 ASSI { 4183} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name H )) 2.700 0.900 0.900 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.25895E-02 ppm1 4.678 ppm2 8.893 CV 1 ASSI { 4184} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name H )) 3.900 1.900 1.900 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 1.713 ppm2 8.896 CV 1 ASSI { 4185} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name H )) 2.600 0.800 0.800 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 1.475 ppm2 8.894 CV 1 ASSI { 4188} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 16 and name H )) 3.900 1.900 1.900 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 1.677 ppm2 8.592 CV 1 ASSI { 4190} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HA )) 2.800 0.900 0.900 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 1.707 ppm2 4.673 CV 1 ASSI { 4191} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 4191 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 1.478 ppm2 4.676 CV 1 ASSI { 4193} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HG2 )) 3.100 1.200 1.200 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.28097E-02 ppm1 1.710 ppm2 1.306 CV 1 ASSI { 4194} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HG3 )) 2.600 0.800 0.800 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.37439E-02 ppm1 1.642 ppm2 1.304 CV 1 OR { 4194} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HG2 )) ASSI { 4195} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HG3 )) 2.800 1.000 1.000 peak 4195 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 1.714 ppm2 1.261 CV 1 OR { 4195} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HG2 )) ASSI { 4197} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HB2 )) 1.800 0.400 0.400 peak 4197 spectrum 1 weight 0.10000E+01 volume 0.60153E-02 ppm1 1.713 ppm2 1.477 CV 1 ASSI { 4200} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HB2 )) 1.600 0.300 0.600 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.87201E-02 ppm1 1.515 ppm2 1.641 CV 1 ASSI { 4202} (( segid " " and resid 58 and name HE2 )) (( segid " " and resid 58 and name HA )) 3.800 1.800 1.800 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.29790E-02 ppm1 2.921 ppm2 4.344 CV 1 OR { 4202} (( segid " " and resid 58 and name HE3 )) (( segid " " and resid 58 and name HA )) ASSI { 4203} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 100 and name HA )) 3.200 1.300 1.300 peak 4203 spectrum 1 weight 0.10000E+01 volume 0.28368E-02 ppm1 2.904 ppm2 4.235 CV 1 ASSI { 4204} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.29180E-02 ppm1 2.907 ppm2 1.987 CV 1 ASSI { 4205} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 118 and name HB3 )) 2.000 0.500 0.500 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.57344E-02 ppm1 2.913 ppm2 1.904 CV 1 ASSI { 4206} (( segid " " and resid 98 and name HE3 )) ( segid " " and resid 100 and name HG2%) 3.200 1.300 1.300 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.31379E-02 ppm1 2.899 ppm2 0.673 CV 1 OR { 4206} (( segid " " and resid 98 and name HE2 )) ( segid " " and resid 100 and name HG2%) ASSI { 4207} (( segid " " and resid 15 and name HD2 )) ( segid " " and resid 13 and name HG2%) 3.500 1.500 1.500 peak 4207 spectrum 1 weight 0.10000E+01 volume 0.49624E-02 ppm1 1.584 ppm2 0.822 CV 1 ASSI { 4208} (( segid " " and resid 98 and name HD3 )) ( segid " " and resid 119 and name HG2%) 3.500 1.600 1.600 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.44210E-02 ppm1 1.582 ppm2 0.763 CV 1 ASSI { 4211} (( segid " " and resid 15 and name HD3 )) ( segid " " and resid 36 and name HD1%) 4.200 2.200 1.800 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.26200E-02 ppm1 1.672 ppm2 0.670 CV 1 ASSI { 4212} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 36 and name HG12)) 4.100 2.100 1.900 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.492 ppm2 0.916 CV 1 ASSI { 4213} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 36 and name HG2%) 3.500 1.500 1.500 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 1.482 ppm2 0.821 CV 1 ASSI { 4214} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 36 and name HD1%) 2.400 0.700 0.700 peak 4214 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 1.489 ppm2 0.664 CV 1 ASSI { 4216} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name H )) 3.000 1.100 1.100 peak 4216 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 1.308 ppm2 8.896 CV 1 ASSI { 4217} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name H )) 4.100 2.100 1.900 peak 4217 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 1.243 ppm2 8.899 CV 1 ASSI { 4219} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 16 and name H )) 4.700 2.800 1.300 peak 4219 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 1.306 ppm2 8.591 CV 1 ASSI { 4220} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 14 and name HA )) 3.400 1.500 1.500 peak 4220 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 1.322 ppm2 4.987 CV 1 ASSI { 4221} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 99 and name HA )) 4.300 2.400 1.700 peak 4221 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 1.245 ppm2 4.981 CV 1 ASSI { 4224} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HE2 )) 2.400 0.700 0.700 peak 4224 spectrum 1 weight 0.10000E+01 volume 0.87302E-02 ppm1 1.315 ppm2 2.905 CV 1 OR { 4224} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HE3 )) ASSI { 4225} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HE3 )) 3.400 1.400 1.400 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.22206E-02 ppm1 1.249 ppm2 2.902 CV 1 ASSI { 4226} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HE3 )) 2.800 1.000 1.000 peak 4226 spectrum 1 weight 0.10000E+01 volume 0.25659E-02 ppm1 1.250 ppm2 2.802 CV 1 OR { 4226} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HE2 )) ASSI { 4227} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HE2 )) 2.900 1.000 1.000 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.25727E-02 ppm1 1.309 ppm2 2.803 CV 1 OR { 4227} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HE3 )) ASSI { 4228} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 170 and name HG2 )) 3.300 1.400 1.400 peak 4228 spectrum 1 weight 0.10000E+01 volume 0.21292E-02 ppm1 1.312 ppm2 2.140 CV 1 OR { 4228} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 170 and name HG3 )) OR { 4228} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 170 and name HG2 )) OR { 4228} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 170 and name HG3 )) ASSI { 4229} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 8 and name HB )) 3.900 1.900 1.900 peak 4229 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 1.306 ppm2 2.076 CV 1 ASSI { 4230} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 8 and name HB )) 4.400 2.400 1.600 peak 4230 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 1.251 ppm2 2.073 CV 1 ASSI { 4234} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HB3 )) 2.500 0.800 0.800 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.49185E-02 ppm1 1.246 ppm2 1.690 CV 1 OR { 4234} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HD3 )) ASSI { 4238} (( segid " " and resid 15 and name HG3 )) ( segid " " and resid 36 and name HG2%) 2.500 0.800 0.800 peak 4238 spectrum 1 weight 0.10000E+01 volume 0.30095E-02 ppm1 1.247 ppm2 0.824 CV 1 ASSI { 4240} (( segid " " and resid 15 and name HG2 )) ( segid " " and resid 36 and name HD1%) 3.500 1.500 1.500 peak 4240 spectrum 1 weight 0.10000E+01 volume 0.37607E-02 ppm1 1.309 ppm2 0.668 CV 1 ASSI { 4242} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name H )) 4.300 2.300 1.700 peak 4242 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.335 ppm2 8.673 CV 1 ASSI { 4244} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name H )) 4.100 2.100 1.900 peak 4244 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 1.464 ppm2 8.670 CV 1 OR { 4244} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name H )) ASSI { 4245} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name H )) 3.200 1.300 1.300 peak 4245 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 1.139 ppm2 8.678 CV 1 ASSI { 4247} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 8 and name H )) 4.500 2.600 1.500 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 1.195 ppm2 9.035 CV 1 ASSI { 4248} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 8 and name H )) 5.100 3.200 0.900 peak 4248 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 1.144 ppm2 9.031 CV 1 ASSI { 4252} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 8 and name H )) 4.700 2.800 1.300 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 1.463 ppm2 9.039 CV 1 ASSI { 4253} (( segid " " and resid 89 and name HD3 )) (( segid " " and resid 90 and name H )) 4.900 3.000 1.100 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 1.505 ppm2 8.800 CV 1 ASSI { 4254} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 90 and name H )) 4.900 3.000 1.100 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.62285E-03 ppm1 1.457 ppm2 8.802 CV 1 ASSI { 4255} (( segid " " and resid 89 and name HD3 )) (( segid " " and resid 89 and name H )) 3.600 1.600 1.600 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 1.502 ppm2 8.475 CV 1 ASSI { 4256} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 84 and name H )) 4.800 2.800 1.200 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 1.457 ppm2 8.109 CV 1 OR { 4256} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 84 and name H )) ASSI { 4257} (( segid " " and resid 83 and name HE3 )) (( segid " " and resid 84 and name H )) 4.700 2.700 1.300 peak 4257 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 2.814 ppm2 8.091 CV 1 ASSI { 4258} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 107 and name H )) 4.400 2.400 1.600 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 1.140 ppm2 8.527 CV 1 ASSI { 4259} (( segid " " and resid 83 and name HE3 )) (( segid " " and resid 85 and name H )) 3.500 1.500 1.500 peak 4259 spectrum 1 weight 0.10000E+01 volume 0.31007E-02 ppm1 2.817 ppm2 7.118 CV 1 ASSI { 4260} (( segid " " and resid 83 and name HE2 )) (( segid " " and resid 85 and name H )) 3.900 1.900 1.900 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.27081E-02 ppm1 2.775 ppm2 7.119 CV 1 ASSI { 4261} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 78 and name HA )) 5.000 3.100 1.000 peak 4261 spectrum 1 weight 0.10000E+01 volume 0.72780E-03 ppm1 1.205 ppm2 5.329 CV 1 ASSI { 4262} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 78 and name HA )) 4.300 2.400 1.700 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.69733E-03 ppm1 1.149 ppm2 5.325 CV 1 ASSI { 4263} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 78 and name HA )) 4.300 2.300 1.700 peak 4263 spectrum 1 weight 0.10000E+01 volume 0.15876E-02 ppm1 1.463 ppm2 5.332 CV 1 OR { 4263} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 78 and name HA )) ASSI { 4267} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 6 and name HA )) 4.800 2.900 1.200 peak 4267 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 1.807 ppm2 4.939 CV 1 ASSI { 4269} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 99 and name HA )) 3.600 1.600 1.600 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 1.466 ppm2 4.962 CV 1 ASSI { 4270} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HA )) 3.900 1.900 1.900 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.19803E-02 ppm1 1.462 ppm2 4.507 CV 1 OR { 4270} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HA )) ASSI { 4271} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 99 and name HA )) 3.500 1.500 1.500 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.13066E-02 ppm1 2.907 ppm2 4.926 CV 1 ASSI { 4272} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 16 and name HA )) 4.300 2.400 1.700 peak 4272 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 1.143 ppm2 4.961 CV 1 ASSI { 4274} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 4274 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 1.205 ppm2 4.500 CV 1 ASSI { 4276} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 99 and name HB )) 4.400 2.500 1.600 peak 4276 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 1.464 ppm2 3.860 CV 1 ASSI { 4277} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 83 and name HA )) 3.700 1.700 1.700 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.19803E-02 ppm1 1.458 ppm2 3.526 CV 1 ASSI { 4278} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HE3 )) 3.000 1.100 1.100 peak 4278 spectrum 1 weight 0.10000E+01 volume 0.22308E-02 ppm1 1.202 ppm2 2.800 CV 1 OR { 4278} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HE2 )) ASSI { 4280} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 103 and name HB3 )) 4.300 2.300 1.700 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 1.132 ppm2 2.593 CV 1 ASSI { 4282} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HE2 )) 3.600 1.600 1.600 peak 4282 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 1.831 ppm2 2.801 CV 1 OR { 4282} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HE3 )) OR { 4282} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HE3 )) OR { 4282} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HE2 )) ASSI { 4284} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HE2 )) 3.300 1.400 1.400 peak 4284 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 1.343 ppm2 2.800 CV 1 OR { 4284} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HE3 )) ASSI { 4285} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 85 and name HG3 )) 3.100 1.200 1.200 peak 4285 spectrum 1 weight 0.10000E+01 volume 0.15470E-02 ppm1 1.449 ppm2 2.033 CV 1 ASSI { 4287} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HB2 )) 2.100 0.500 0.500 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.25456E-02 ppm1 1.347 ppm2 1.824 CV 1 ASSI { 4289} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HD3 )) 2.700 0.900 0.900 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.31583E-02 ppm1 1.343 ppm2 1.457 CV 1 OR { 4289} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HD2 )) ASSI { 4290} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HG2 )) 3.000 1.200 1.200 peak 4290 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 1.341 ppm2 1.175 CV 1 OR { 4290} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 7 and name HG3 )) ASSI { 4294} (( segid " " and resid 7 and name HD3 )) ( segid " " and resid 78 and name HG2%) 3.600 1.700 1.700 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.33478E-02 ppm1 1.463 ppm2 1.002 CV 1 OR { 4294} (( segid " " and resid 7 and name HD2 )) ( segid " " and resid 78 and name HG2%) ASSI { 4295} (( segid " " and resid 7 and name HD3 )) ( segid " " and resid 14 and name HG1%) 3.600 1.600 1.600 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.34460E-02 ppm1 1.457 ppm2 0.775 CV 1 OR { 4295} (( segid " " and resid 7 and name HD2 )) ( segid " " and resid 14 and name HG1%) ASSI { 4298} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HG3 )) 2.300 0.700 0.700 peak 4298 spectrum 1 weight 0.10000E+01 volume 0.85676E-02 ppm1 1.463 ppm2 1.185 CV 1 OR { 4298} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HG2 )) OR { 4298} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HG3 )) OR { 4298} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HG2 )) ASSI { 4301} (( segid " " and resid 7 and name HG2 )) ( segid " " and resid 16 and name HG2%) 3.100 1.200 1.200 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 1.201 ppm2 0.935 CV 1 ASSI { 4302} (( segid " " and resid 7 and name HG3 )) ( segid " " and resid 16 and name HG2%) 3.900 1.900 1.900 peak 4302 spectrum 1 weight 0.10000E+01 volume 0.14590E-02 ppm1 1.142 ppm2 0.938 CV 1 ASSI { 4303} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD2 )) 2.700 0.900 0.900 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.46443E-02 ppm1 1.201 ppm2 1.459 CV 1 OR { 4303} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD3 )) ASSI { 4305} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.25625E-02 ppm1 1.191 ppm2 1.830 CV 1 ASSI { 4307} (( segid " " and resid 7 and name HG2 )) ( segid " " and resid 14 and name HG2%) 3.600 1.600 1.600 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.20378E-02 ppm1 1.200 ppm2 0.716 CV 1 ASSI { 4311} (( segid " " and resid 17 and name HG3 )) (( segid " " and resid 18 and name H )) 4.400 2.400 1.600 peak 4311 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 2.075 ppm2 7.667 CV 1 ASSI { 4312} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name H )) 3.900 1.900 1.900 peak 4312 spectrum 1 weight 0.10000E+01 volume 0.15301E-02 ppm1 2.132 ppm2 7.661 CV 1 ASSI { 4313} (( segid " " and resid 17 and name HG3 )) ( segid " " and resid 19 and name HE% ) 4.200 2.200 1.800 peak 4313 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 2.070 ppm2 7.122 CV 1 ASSI { 4314} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name H )) 4.200 2.200 1.800 peak 4314 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 2.126 ppm2 9.140 CV 1 ASSI { 4316} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HA )) 2.600 0.800 0.800 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 2.125 ppm2 4.379 CV 1 ASSI { 4317} (( segid " " and resid 17 and name HG3 )) (( segid " " and resid 17 and name HA )) 3.300 1.400 1.400 peak 4317 spectrum 1 weight 0.10000E+01 volume 0.34325E-02 ppm1 2.070 ppm2 4.380 CV 1 ASSI { 4319} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HB2 )) 2.600 0.900 0.900 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.42414E-02 ppm1 2.128 ppm2 1.475 CV 1 OR { 4319} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HB3 )) ASSI { 4320} (( segid " " and resid 17 and name HG3 )) (( segid " " and resid 17 and name HB2 )) 2.300 0.700 0.700 peak 4320 spectrum 1 weight 0.10000E+01 volume 0.50134E-02 ppm1 2.071 ppm2 1.477 CV 1 OR { 4320} (( segid " " and resid 17 and name HG3 )) (( segid " " and resid 17 and name HB3 )) ASSI { 4321} (( segid " " and resid 17 and name HG3 )) ( segid " " and resid 17 and name HE% ) 2.600 0.800 0.800 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.57005E-02 ppm1 2.078 ppm2 1.683 CV 1 ASSI { 4322} (( segid " " and resid 19 and name HA )) ( segid " " and resid 6 and name HD1%) 4.800 2.900 1.200 peak 4322 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 4.851 ppm2 0.706 CV 1 ASSI { 4324} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 23 and name H )) 4.700 2.700 1.300 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 2.127 ppm2 7.743 CV 1 ASSI { 4325} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 23 and name H )) 5.000 3.100 1.000 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 2.368 ppm2 7.722 CV 1 OR { 4325} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 23 and name H )) ASSI { 4326} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) 3.400 1.500 1.500 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 1.898 ppm2 4.651 CV 1 ASSI { 4327} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HB3 )) 2.400 0.700 0.700 peak 4327 spectrum 1 weight 0.10000E+01 volume 0.66958E-02 ppm1 2.361 ppm2 2.119 CV 1 OR { 4327} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HB3 )) ASSI { 4328} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 22 and name H )) 3.400 1.400 1.400 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 2.097 ppm2 7.378 CV 1 ASSI { 4329} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 22 and name H )) 4.300 2.300 1.700 peak 4329 spectrum 1 weight 0.10000E+01 volume 0.85304E-03 ppm1 2.324 ppm2 7.384 CV 1 ASSI { 4331} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 4 and name H )) 5.000 3.100 1.000 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.73119E-03 ppm1 3.878 ppm2 8.725 CV 1 ASSI { 4332} (( segid " " and resid 21 and name HD3 )) (( segid " " and resid 4 and name H )) 3.500 1.500 1.500 peak 4332 spectrum 1 weight 0.10000E+01 volume 0.75827E-03 ppm1 3.811 ppm2 8.729 CV 1 ASSI { 4334} (( segid " " and resid 21 and name HA )) (( segid " " and resid 20 and name HA )) 4.100 2.100 1.900 peak 4334 spectrum 1 weight 0.10000E+01 volume 0.73119E-03 ppm1 4.102 ppm2 4.645 CV 1 ASSI { 4336} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HD3 )) 4.100 2.100 1.900 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 2.120 ppm2 3.841 CV 1 OR { 4336} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HD2 )) ASSI { 4337} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HD3 )) 3.600 1.600 1.600 peak 4337 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 4.104 ppm2 3.780 CV 1 ASSI { 4339} (( segid " " and resid -2 and name HB3 )) (( segid " " and resid -2 and name HD3 )) 3.400 1.400 1.400 peak 4339 spectrum 1 weight 0.10000E+01 volume 0.29552E-02 ppm1 2.094 ppm2 3.797 CV 1 ASSI { 4342} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name H )) 3.800 1.800 1.800 peak 4342 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 3.869 ppm2 8.087 CV 1 ASSI { 4344} (( segid " " and resid 32 and name HB )) (( segid " " and resid 33 and name H )) 4.500 2.500 1.500 peak 4344 spectrum 1 weight 0.10000E+01 volume 0.59577E-03 ppm1 1.561 ppm2 7.444 CV 1 ASSI { 4350} (( segid " " and resid 33 and name HA )) ( segid " " and resid 32 and name HG2%) 3.500 1.500 1.500 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 3.557 ppm2 0.733 CV 1 ASSI { 4352} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB3 )) 2.700 0.900 0.900 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.28368E-02 ppm1 3.558 ppm2 1.712 CV 1 OR { 4352} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) ASSI { 4353} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HD2 )) 4.700 2.700 1.300 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 3.561 ppm2 3.036 CV 1 OR { 4353} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HD3 )) ASSI { 4354} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name H )) 2.900 1.000 1.000 peak 4354 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 3.555 ppm2 7.456 CV 1 ASSI { 4355} (( segid " " and resid 33 and name HB3 )) ( segid " " and resid 40 and name HD1%) 3.600 1.600 1.600 peak 4355 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 1.736 ppm2 0.852 CV 1 OR { 4355} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 40 and name HD1%) ASSI { 4357} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 4357 spectrum 1 weight 0.10000E+01 volume 0.64994E-03 ppm1 1.766 ppm2 3.555 CV 1 ASSI { 4358} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HA )) 3.300 1.300 1.300 peak 4358 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 1.707 ppm2 3.554 CV 1 ASSI { 4360} (( segid " " and resid 43 and name HD3 )) (( segid " " and resid 43 and name HG2 )) 2.500 0.800 0.800 peak 4360 spectrum 1 weight 0.10000E+01 volume 0.37235E-02 ppm1 3.672 ppm2 1.977 CV 1 OR { 4360} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 43 and name HG3 )) OR { 4360} (( segid " " and resid 43 and name HD3 )) (( segid " " and resid 43 and name HG3 )) OR { 4360} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 43 and name HG2 )) ASSI { 4362} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 42 and name H )) 3.900 1.900 1.900 peak 4362 spectrum 1 weight 0.10000E+01 volume 0.10392E-02 ppm1 3.675 ppm2 7.591 CV 1 ASSI { 4364} (( segid " " and resid 43 and name HD2 )) (( segid " " and resid 43 and name HA )) 4.000 2.000 2.000 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 3.677 ppm2 4.700 CV 1 OR { 4364} (( segid " " and resid 43 and name HD3 )) (( segid " " and resid 43 and name HA )) ASSI { 4367} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HD2 )) 4.500 2.500 1.500 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.10968E-02 ppm1 2.157 ppm2 3.791 CV 1 ASSI { 4368} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HD2 )) 4.600 2.600 1.400 peak 4368 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 2.176 ppm2 3.752 CV 1 OR { 4368} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HD3 )) ASSI { 4369} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HD2 )) 3.800 1.800 1.800 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.10325E-02 ppm1 4.221 ppm2 3.750 CV 1 OR { 4369} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HD3 )) ASSI { 4370} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HA )) 3.000 1.100 1.100 peak 4370 spectrum 1 weight 0.10000E+01 volume 0.29823E-02 ppm1 2.158 ppm2 4.225 CV 1 ASSI { 4371} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HA )) 2.500 0.800 0.800 peak 4371 spectrum 1 weight 0.10000E+01 volume 0.30906E-02 ppm1 1.999 ppm2 4.223 CV 1 ASSI { 4372} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 43 and name HA )) 3.300 1.300 1.300 peak 4372 spectrum 1 weight 0.10000E+01 volume 0.16993E-02 ppm1 3.747 ppm2 4.697 CV 1 ASSI { 4373} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HA )) 4.100 2.100 1.900 peak 4373 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 4.225 ppm2 4.689 CV 1 ASSI { 4374} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 3.799 ppm2 4.694 CV 1 ASSI { 4375} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 44 and name HA )) 3.900 1.900 1.900 peak 4375 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 3.744 ppm2 4.226 CV 1 ASSI { 4376} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 50 and name HE% ) 4.600 2.700 1.400 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 1.992 ppm2 6.494 CV 1 ASSI { 4378} (( segid " " and resid 44 and name HB3 )) ( segid " " and resid 47 and name HD% ) 4.700 2.800 1.300 peak 4378 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 1.997 ppm2 6.732 CV 1 ASSI { 4381} (( segid " " and resid 44 and name HG3 )) (( segid " " and resid 44 and name HA )) 4.000 2.000 2.000 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 1.903 ppm2 4.213 CV 1 ASSI { 4383} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 43 and name HA )) 4.400 2.400 1.600 peak 4383 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 2.079 ppm2 4.703 CV 1 ASSI { 4384} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 45 and name HA )) 3.500 1.500 1.500 peak 4384 spectrum 1 weight 0.10000E+01 volume 0.13879E-02 ppm1 2.085 ppm2 4.635 CV 1 ASSI { 4385} (( segid " " and resid 44 and name HG3 )) (( segid " " and resid 43 and name HA )) 4.800 2.900 1.200 peak 4385 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 1.898 ppm2 4.703 CV 1 ASSI { 4386} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 87 and name HA )) 4.200 2.200 1.800 peak 4386 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.893 ppm2 4.629 CV 1 ASSI { 4387} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HD2 )) 3.400 1.500 1.500 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.14217E-02 ppm1 2.003 ppm2 3.783 CV 1 OR { 4387} (( segid " " and resid 44 and name HB3 )) (( segid " " and resid 44 and name HD3 )) ASSI { 4388} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 44 and name HD2 )) 2.400 0.700 0.700 peak 4388 spectrum 1 weight 0.10000E+01 volume 0.35612E-02 ppm1 2.079 ppm2 3.789 CV 1 ASSI { 4389} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 44 and name HD3 )) 2.700 0.900 0.900 peak 4389 spectrum 1 weight 0.10000E+01 volume 0.34597E-02 ppm1 2.075 ppm2 3.752 CV 1 OR { 4389} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 44 and name HD2 )) ASSI { 4390} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 87 and name HD2 )) 2.500 0.800 0.800 peak 4390 spectrum 1 weight 0.10000E+01 volume 0.24136E-02 ppm1 2.087 ppm2 3.645 CV 1 ASSI { 4391} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 87 and name HD3 )) 3.200 1.300 1.300 peak 4391 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 2.085 ppm2 3.514 CV 1 ASSI { 4392} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 87 and name HD3 )) 2.600 0.800 0.800 peak 4392 spectrum 1 weight 0.10000E+01 volume 0.21462E-02 ppm1 1.873 ppm2 3.514 CV 1 ASSI { 4393} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 87 and name HD2 )) 3.100 1.200 1.200 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.23459E-02 ppm1 1.875 ppm2 3.643 CV 1 ASSI { 4395} (( segid " " and resid 44 and name HG2 )) (( segid " " and resid 44 and name HG3 )) 1.600 0.300 0.600 peak 4395 spectrum 1 weight 0.10000E+01 volume 0.16110E-01 ppm1 2.081 ppm2 1.892 CV 1 ASSI { 4396} (( segid " " and resid 87 and name HG2 )) ( segid " " and resid 101 and name HE% ) 4.000 2.000 2.000 peak 4396 spectrum 1 weight 0.10000E+01 volume 0.22138E-02 ppm1 2.082 ppm2 1.753 CV 1 ASSI { 4397} (( segid " " and resid 87 and name HG2 )) (( segid " " and resid 87 and name HB2 )) 2.600 0.800 0.800 peak 4397 spectrum 1 weight 0.10000E+01 volume 0.26404E-02 ppm1 2.087 ppm2 1.669 CV 1 ASSI { 4399} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HG2 )) 3.900 1.900 1.900 peak 4399 spectrum 1 weight 0.10000E+01 volume 0.16926E-02 ppm1 4.229 ppm2 2.073 CV 1 ASSI { 4401} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB3 )) 4.000 2.000 2.000 peak 4401 spectrum 1 weight 0.10000E+01 volume 0.18754E-02 ppm1 4.227 ppm2 1.896 CV 1 ASSI { 4402} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HG3 )) 2.800 1.000 1.000 peak 4402 spectrum 1 weight 0.10000E+01 volume 0.36085E-02 ppm1 2.156 ppm2 1.900 CV 1 ASSI { 4403} (( segid " " and resid 44 and name HB2 )) (( segid " " and resid 44 and name HB3 )) 1.900 0.400 0.400 peak 4403 spectrum 1 weight 0.10000E+01 volume 0.69901E-02 ppm1 2.158 ppm2 1.997 CV 1 ASSI { 4404} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 47 and name H )) 4.600 2.700 1.400 peak 4404 spectrum 1 weight 0.10000E+01 volume 0.74811E-03 ppm1 2.758 ppm2 7.494 CV 1 ASSI { 4410} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 47 and name HE% ) 3.800 1.800 1.800 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.72103E-03 ppm1 2.352 ppm2 7.103 CV 1 ASSI { 4414} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HB3 )) 2.300 0.700 0.700 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 2.318 ppm2 2.631 CV 1 ASSI { 4417} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 3.200 1.300 1.300 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 4.478 ppm2 2.319 CV 1 ASSI { 4418} (( segid " " and resid 169 and name HA )) (( segid " " and resid 170 and name HB2 )) 4.000 2.000 2.000 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 4.455 ppm2 1.797 CV 1 ASSI { 4419} (( segid " " and resid 46 and name HA )) (( segid " " and resid 83 and name HG3 )) 4.100 2.100 1.900 peak 4419 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 4.488 ppm2 0.918 CV 1 ASSI { 4420} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 49 and name HB2 )) 2.600 0.900 0.900 peak 4420 spectrum 1 weight 0.10000E+01 volume 0.91398E-02 ppm1 0.869 ppm2 1.476 CV 1 ASSI { 4421} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 49 and name HB3 )) 2.200 0.600 0.600 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.51622E-02 ppm1 0.869 ppm2 1.276 CV 1 ASSI { 4422} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HB3 )) 2.000 0.500 0.500 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 1.518 ppm2 1.279 CV 1 ASSI { 4423} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HG )) 2.900 1.000 1.000 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.515 ppm2 1.771 CV 1 ASSI { 4424} ( segid " " and resid 51 and name HD1%) (( segid " " and resid 51 and name HB3 )) 2.200 0.600 0.600 peak 4424 spectrum 1 weight 0.10000E+01 volume 0.10369E-01 ppm1 0.776 ppm2 1.495 CV 1 ASSI { 4425} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB3 )) 3.000 1.100 1.100 peak 4425 spectrum 1 weight 0.10000E+01 volume 0.17027E-02 ppm1 4.412 ppm2 1.493 CV 1 ASSI { 4427} (( segid " " and resid 56 and name HA )) (( segid " " and resid 58 and name H )) 3.700 1.700 1.700 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.13303E-02 ppm1 4.355 ppm2 8.037 CV 1 ASSI { 4428} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 57 and name H )) 4.300 2.300 1.700 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.91736E-03 ppm1 2.364 ppm2 8.125 CV 1 ASSI { 4434} (( segid " " and resid 56 and name HA )) (( segid " " and resid 59 and name H )) 3.700 1.800 1.800 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.64316E-03 ppm1 4.347 ppm2 7.327 CV 1 ASSI { 4437} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 55 and name HA )) 4.100 2.100 1.900 peak 4437 spectrum 1 weight 0.10000E+01 volume 0.32361E-02 ppm1 2.028 ppm2 4.931 CV 1 OR { 4437} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 55 and name HA )) ASSI { 4438} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 55 and name HA )) 5.200 3.400 0.800 peak 4438 spectrum 1 weight 0.10000E+01 volume 0.58223E-03 ppm1 2.365 ppm2 4.937 CV 1 ASSI { 4440} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HD2 )) 4.100 2.100 1.900 peak 4440 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 4.357 ppm2 4.039 CV 1 ASSI { 4441} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HD3 )) 3.500 1.500 1.500 peak 4441 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 4.352 ppm2 3.984 CV 1 ASSI { 4445} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HA )) 3.400 1.500 1.500 peak 4445 spectrum 1 weight 0.10000E+01 volume 0.43058E-02 ppm1 2.028 ppm2 4.349 CV 1 ASSI { 4446} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 56 and name HD2 )) 2.200 0.600 0.600 peak 4446 spectrum 1 weight 0.10000E+01 volume 0.72610E-02 ppm1 2.028 ppm2 4.035 CV 1 OR { 4446} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HD2 )) ASSI { 4447} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 56 and name HD3 )) 2.400 0.700 0.700 peak 4447 spectrum 1 weight 0.10000E+01 volume 0.69901E-02 ppm1 2.028 ppm2 3.989 CV 1 OR { 4447} (( segid " " and resid 56 and name HG3 )) (( segid " " and resid 56 and name HD3 )) ASSI { 4448} (( segid " " and resid 56 and name HD2 )) (( segid " " and resid 55 and name HB3 )) 2.700 0.900 0.900 peak 4448 spectrum 1 weight 0.10000E+01 volume 0.75150E-03 ppm1 4.041 ppm2 2.447 CV 1 ASSI { 4449} (( segid " " and resid 56 and name HD3 )) (( segid " " and resid 55 and name HB3 )) 4.500 2.500 1.500 peak 4449 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 3.988 ppm2 2.434 CV 1 ASSI { 4450} (( segid " " and resid 56 and name HD2 )) (( segid " " and resid 56 and name HB3 )) 4.400 2.400 1.600 peak 4450 spectrum 1 weight 0.10000E+01 volume 0.93768E-03 ppm1 4.061 ppm2 2.365 CV 1 ASSI { 4451} (( segid " " and resid 56 and name HD3 )) (( segid " " and resid 56 and name HB3 )) 3.400 1.500 1.500 peak 4451 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 3.986 ppm2 2.359 CV 1 ASSI { 4452} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 55 and name HB3 )) 3.700 1.700 1.700 peak 4452 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 2.026 ppm2 2.435 CV 1 ASSI { 4456} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HG2 )) 3.300 1.300 1.300 peak 4456 spectrum 1 weight 0.10000E+01 volume 0.23899E-02 ppm1 4.143 ppm2 1.430 CV 1 OR { 4456} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HG3 )) ASSI { 4457} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB3 )) 2.600 0.900 0.900 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.40148E-02 ppm1 4.138 ppm2 1.781 CV 1 OR { 4457} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 4459} (( segid " " and resid 57 and name HA )) (( segid " " and resid 59 and name H )) 3.700 1.700 1.700 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 4.148 ppm2 7.333 CV 1 ASSI { 4460} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name H )) 2.100 2.100 3.900 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.30061E-02 ppm1 2.953 ppm2 8.128 CV 1 OR { 4460} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name H )) ASSI { 4461} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 184 and name H )) 3.300 1.300 1.300 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 2.951 ppm2 7.709 CV 1 OR { 4461} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 184 and name H )) ASSI { 4462} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 58 and name H )) 4.500 2.500 1.500 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 1.413 ppm2 8.021 CV 1 ASSI { 4465} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 183 and name HA )) 3.800 1.800 1.800 peak 4465 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 2.949 ppm2 4.475 CV 1 ASSI { 4466} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 182 and name HA )) 3.200 1.300 1.300 peak 4466 spectrum 1 weight 0.10000E+01 volume 0.13371E-02 ppm1 2.954 ppm2 4.382 CV 1 OR { 4466} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 182 and name HA )) ASSI { 4467} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HA )) 3.600 1.600 1.600 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.26776E-02 ppm1 2.953 ppm2 4.135 CV 1 OR { 4467} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name HA )) ASSI { 4468} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 184 and name HA3 )) 3.100 1.200 1.200 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.24237E-02 ppm1 2.952 ppm2 4.047 CV 1 OR { 4468} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 184 and name HA3 )) ASSI { 4469} (( segid " " and resid 57 and name HG3 )) (( segid " " and resid 57 and name HA )) 4.200 2.200 1.800 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 1.456 ppm2 4.134 CV 1 ASSI { 4470} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HA )) 3.400 1.400 1.400 peak 4470 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 1.410 ppm2 4.137 CV 1 ASSI { 4471} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 184 and name HA2 )) 3.000 1.100 1.100 peak 4471 spectrum 1 weight 0.10000E+01 volume 0.23357E-02 ppm1 2.952 ppm2 3.661 CV 1 OR { 4471} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 184 and name HA2 )) ASSI { 4474} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HB3 )) 2.600 0.800 0.800 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.10186E-01 ppm1 2.952 ppm2 1.778 CV 1 OR { 4474} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name HB3 )) OR { 4474} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HB2 )) OR { 4474} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name HB2 )) ASSI { 4475} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HD3 )) 1.900 0.400 0.400 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.24217E-01 ppm1 2.952 ppm2 1.642 CV 1 OR { 4475} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name HD2 )) OR { 4475} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name HD3 )) OR { 4475} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HD2 )) ASSI { 4476} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name HG2 )) 3.000 1.100 1.100 peak 4476 spectrum 1 weight 0.10000E+01 volume 0.72982E-02 ppm1 2.952 ppm2 1.400 CV 1 OR { 4476} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HG2 )) ASSI { 4477} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 56 and name HG2 )) 3.700 1.700 1.700 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.16079E-02 ppm1 2.951 ppm2 2.032 CV 1 OR { 4477} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 56 and name HG2 )) OR { 4477} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 56 and name HB2 )) ASSI { 4478} (( segid " " and resid 57 and name HG3 )) (( segid " " and resid 57 and name HD2 )) 2.800 1.000 1.000 peak 4478 spectrum 1 weight 0.10000E+01 volume 0.27521E-02 ppm1 1.463 ppm2 1.644 CV 1 OR { 4478} (( segid " " and resid 57 and name HG3 )) (( segid " " and resid 57 and name HD3 )) ASSI { 4482} (( segid " " and resid 58 and name HE2 )) (( segid " " and resid 58 and name H )) 3.800 1.900 1.900 peak 4482 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 2.924 ppm2 8.038 CV 1 OR { 4482} (( segid " " and resid 58 and name HE3 )) (( segid " " and resid 58 and name H )) ASSI { 4483} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 169 and name H )) 4.500 2.500 1.500 peak 4483 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 2.909 ppm2 8.341 CV 1 OR { 4483} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 169 and name H )) ASSI { 4487} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 99 and name H )) 3.700 1.700 1.700 peak 4487 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 2.898 ppm2 8.451 CV 1 ASSI { 4488} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 98 and name H )) 4.300 2.300 1.700 peak 4488 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 2.901 ppm2 9.120 CV 1 ASSI { 4489} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 50 and name HA )) 5.000 3.100 1.000 peak 4489 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 0.833 ppm2 4.701 CV 1 ASSI { 4491} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG12)) 2.200 0.600 0.600 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.13046E-01 ppm1 0.788 ppm2 0.926 CV 1 ASSI { 4492} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 105 and name HB3 )) 3.700 1.700 1.700 peak 4492 spectrum 1 weight 0.10000E+01 volume 0.59915E-03 ppm1 3.026 ppm2 2.408 CV 1 ASSI { 4494} ( segid " " and resid 62 and name HD2%) ( segid " " and resid 71 and name HD% ) 2.600 0.900 0.900 peak 4494 spectrum 1 weight 0.10000E+01 volume 0.42618E-02 ppm1 -0.161 ppm2 7.233 CV 1 ASSI { 4495} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 71 and name HD% ) 3.600 1.600 1.600 peak 4495 spectrum 1 weight 0.10000E+01 volume 0.27014E-02 ppm1 0.403 ppm2 7.229 CV 1 ASSI { 4496} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 66 and name HD2 )) 5.000 3.200 1.000 peak 4496 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 1.927 ppm2 0.495 CV 1 ASSI { 4497} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 66 and name HD2 )) 3.000 1.100 1.100 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 2.395 ppm2 0.497 CV 1 ASSI { 4498} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 66 and name HD3 )) 3.300 1.300 1.300 peak 4498 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 2.286 ppm2 0.855 CV 1 ASSI { 4499} (( segid " " and resid 63 and name HG3 )) ( segid " " and resid 25 and name HG1%) 4.400 2.400 1.600 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 2.292 ppm2 0.751 CV 1 ASSI { 4500} (( segid " " and resid 66 and name HE3 )) ( segid " " and resid 71 and name HE% ) 3.900 1.900 1.900 peak 4500 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 2.245 ppm2 6.869 CV 1 OR { 4500} (( segid " " and resid 66 and name HE2 )) ( segid " " and resid 71 and name HE% ) ASSI { 4501} (( segid " " and resid 68 and name HB3 )) ( segid " " and resid 73 and name HD1%) 3.000 1.100 1.100 peak 4501 spectrum 1 weight 0.10000E+01 volume 0.85304E-03 ppm1 1.085 ppm2 0.823 CV 1 ASSI { 4507} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HD3 )) 4.100 2.100 1.900 peak 4507 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 4.880 ppm2 3.076 CV 1 OR { 4507} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HD2 )) ASSI { 4509} (( segid " " and resid 179 and name HA )) (( segid " " and resid 108 and name H )) 4.000 2.000 2.000 peak 4509 spectrum 1 weight 0.10000E+01 volume 0.64316E-03 ppm1 4.579 ppm2 7.909 CV 1 ASSI { 4510} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name H )) 3.100 1.200 1.200 peak 4510 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 1.177 ppm2 8.002 CV 1 ASSI { 4511} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 180 and name H )) 3.300 1.300 1.300 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.31312E-02 ppm1 1.175 ppm2 8.967 CV 1 ASSI { 4512} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 179 and name H )) 2.200 0.600 0.600 peak 4512 spectrum 1 weight 0.10000E+01 volume 0.67769E-02 ppm1 1.175 ppm2 9.378 CV 1 ASSI { 4513} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HB3 )) 2.800 1.000 1.000 peak 4513 spectrum 1 weight 0.10000E+01 volume 0.14184E-02 ppm1 3.838 ppm2 1.173 CV 1 ASSI { 4515} ( segid " " and resid 180 and name HD2%) ( segid " " and resid 180 and name HD1%) 2.000 0.500 0.500 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.21120E-01 ppm1 0.596 ppm2 0.745 CV 1 ASSI { 4516} ( segid " " and resid 180 and name HD1%) (( segid " " and resid 180 and name HB3 )) 2.800 1.000 1.000 peak 4516 spectrum 1 weight 0.10000E+01 volume 0.34901E-02 ppm1 0.740 ppm2 1.169 CV 1 ASSI { 4517} ( segid " " and resid 180 and name HD1%) ( segid " " and resid 108 and name HG2%) 3.900 1.900 1.900 peak 4517 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 0.740 ppm2 0.926 CV 1 ASSI { 4518} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 180 and name HB3 )) 2.500 0.800 0.800 peak 4518 spectrum 1 weight 0.10000E+01 volume 0.34529E-02 ppm1 0.594 ppm2 1.173 CV 1 ASSI { 4519} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 180 and name HG )) 2.200 0.600 0.600 peak 4519 spectrum 1 weight 0.10000E+01 volume 0.66958E-02 ppm1 0.596 ppm2 1.681 CV 1 ASSI { 4520} ( segid " " and resid 180 and name HD1%) (( segid " " and resid 180 and name HG )) 2.300 0.700 0.700 peak 4520 spectrum 1 weight 0.10000E+01 volume 0.49322E-02 ppm1 0.739 ppm2 1.679 CV 1 ASSI { 4521} (( segid " " and resid 180 and name HB3 )) (( segid " " and resid 180 and name HG )) 3.700 1.700 1.700 peak 4521 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 1.178 ppm2 1.678 CV 1 ASSI { 4524} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 180 and name HA )) 2.400 0.700 0.700 peak 4524 spectrum 1 weight 0.10000E+01 volume 0.61711E-02 ppm1 0.596 ppm2 3.836 CV 1 ASSI { 4525} ( segid " " and resid 180 and name HD1%) (( segid " " and resid 180 and name HA )) 4.200 2.200 1.800 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 0.739 ppm2 3.837 CV 1 ASSI { 4527} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 180 and name H )) 3.500 1.500 1.500 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.20344E-02 ppm1 0.592 ppm2 8.964 CV 1 ASSI { 4528} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 181 and name H )) 4.500 2.600 1.500 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 0.591 ppm2 8.757 CV 1 ASSI { 4529} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 111 and name H )) 2.600 2.600 3.400 peak 4529 spectrum 1 weight 0.10000E+01 volume 0.73796E-03 ppm1 0.598 ppm2 8.434 CV 1 ASSI { 4530} ( segid " " and resid 180 and name HD1%) (( segid " " and resid 181 and name H )) 2.400 2.400 3.600 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 0.739 ppm2 8.756 CV 1 ASSI { 4532} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name H )) 3.000 1.200 1.200 peak 4532 spectrum 1 weight 0.10000E+01 volume 0.19329E-02 ppm1 3.977 ppm2 8.751 CV 1 ASSI { 4533} (( segid " " and resid 181 and name HB3 )) (( segid " " and resid 181 and name H )) 3.300 1.400 1.400 peak 4533 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 1.810 ppm2 8.751 CV 1 ASSI { 4539} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB3 )) 3.200 1.300 1.300 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 3.980 ppm2 1.790 CV 1 ASSI { 4540} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HB2 )) 2.900 1.000 1.000 peak 4540 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 3.977 ppm2 2.086 CV 1 ASSI { 4541} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HG3 )) 3.000 1.100 1.100 peak 4541 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 3.976 ppm2 1.599 CV 1 ASSI { 4542} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HG2 )) 3.300 1.400 1.400 peak 4542 spectrum 1 weight 0.10000E+01 volume 0.16655E-02 ppm1 3.975 ppm2 1.535 CV 1 ASSI { 4543} (( segid " " and resid 174 and name HB2 )) ( segid " " and resid 174 and name HD1%) 3.000 1.100 1.100 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.18076E-02 ppm1 1.259 ppm2 0.674 CV 1 OR { 4543} (( segid " " and resid 174 and name HB2 )) ( segid " " and resid 174 and name HD2%) ASSI { 4544} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name H )) 2.900 1.100 1.100 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.13574E-02 ppm1 4.275 ppm2 8.449 CV 1 ASSI { 4548} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 129 and name H )) 4.900 3.000 1.100 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 0.665 ppm2 8.884 CV 1 ASSI { 4550} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 175 and name H )) 4.500 2.600 1.500 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.18990E-02 ppm1 0.664 ppm2 9.103 CV 1 ASSI { 4551} (( segid " " and resid 174 and name HA )) (( segid " " and resid 175 and name H )) 2.600 0.800 0.800 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.29045E-02 ppm1 4.264 ppm2 9.111 CV 1 ASSI { 4552} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 175 and name H )) 3.700 1.700 1.700 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.47764E-02 ppm1 0.679 ppm2 9.107 CV 1 ASSI { 4553} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 173 and name H )) 2.500 2.500 3.500 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 0.674 ppm2 7.695 CV 1 ASSI { 4554} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 183 and name HE22)) 2.700 0.900 0.900 peak 4554 spectrum 1 weight 0.10000E+01 volume 0.16316E-02 ppm1 0.680 ppm2 7.286 CV 1 ASSI { 4555} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 183 and name HE22)) 3.100 1.200 1.200 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.89028E-03 ppm1 0.662 ppm2 7.286 CV 1 ASSI { 4556} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 183 and name HE21)) 3.700 1.700 1.700 peak 4556 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 0.681 ppm2 6.507 CV 1 ASSI { 4557} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 183 and name HE21)) 4.200 2.200 1.800 peak 4557 spectrum 1 weight 0.10000E+01 volume 0.86319E-03 ppm1 0.666 ppm2 6.478 CV 1 ASSI { 4558} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 129 and name HA )) 2.600 2.600 3.400 peak 4558 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 0.665 ppm2 5.584 CV 1 ASSI { 4559} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 130 and name HA )) 3.900 1.900 1.900 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.19498E-02 ppm1 0.664 ppm2 4.394 CV 1 ASSI { 4560} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 174 and name HA )) 3.700 1.800 1.800 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.25456E-02 ppm1 0.665 ppm2 4.262 CV 1 ASSI { 4561} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 130 and name HA )) 3.500 1.600 1.600 peak 4561 spectrum 1 weight 0.10000E+01 volume 0.24339E-02 ppm1 0.679 ppm2 4.391 CV 1 ASSI { 4562} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 174 and name HA )) 2.100 0.600 0.600 peak 4562 spectrum 1 weight 0.10000E+01 volume 0.10514E-01 ppm1 0.679 ppm2 4.264 CV 1 ASSI { 4564} (( segid " " and resid 174 and name HB3 )) (( segid " " and resid 174 and name HA )) 2.900 1.000 1.000 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 1.639 ppm2 4.264 CV 1 ASSI { 4566} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 180 and name HA )) 3.900 1.900 1.900 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.14082E-02 ppm1 0.666 ppm2 3.836 CV 1 ASSI { 4567} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 131 and name HD3 )) 2.500 0.800 0.800 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.26676E-02 ppm1 0.680 ppm2 3.063 CV 1 ASSI { 4568} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 131 and name HD2 )) 2.600 0.800 0.800 peak 4568 spectrum 1 weight 0.10000E+01 volume 0.35475E-02 ppm1 0.678 ppm2 2.954 CV 1 ASSI { 4569} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 172 and name HB3 )) 2.900 1.000 1.000 peak 4569 spectrum 1 weight 0.10000E+01 volume 0.18720E-02 ppm1 0.679 ppm2 2.599 CV 1 ASSI { 4570} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 183 and name HG3 )) 3.800 1.800 1.800 peak 4570 spectrum 1 weight 0.10000E+01 volume 0.17975E-02 ppm1 0.679 ppm2 2.551 CV 1 ASSI { 4571} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 131 and name HD2 )) 2.600 0.800 0.800 peak 4571 spectrum 1 weight 0.10000E+01 volume 0.12153E-02 ppm1 0.666 ppm2 2.967 CV 1 ASSI { 4572} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 174 and name HB3 )) 2.100 0.600 0.600 peak 4572 spectrum 1 weight 0.10000E+01 volume 0.10609E-01 ppm1 0.665 ppm2 1.618 CV 1 ASSI { 4573} (( segid " " and resid 174 and name HB2 )) (( segid " " and resid 174 and name HB3 )) 2.100 0.600 0.600 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 1.258 ppm2 1.640 CV 1 ASSI { 4574} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 174 and name HB3 )) 2.000 0.500 0.500 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.15186E-01 ppm1 0.679 ppm2 1.616 CV 1 ASSI { 4575} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 183 and name HG2 )) 3.300 1.400 1.400 peak 4575 spectrum 1 weight 0.10000E+01 volume 0.18821E-02 ppm1 0.681 ppm2 2.240 CV 1 ASSI { 4576} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 183 and name HB2 )) 3.300 1.400 1.400 peak 4576 spectrum 1 weight 0.10000E+01 volume 0.27487E-02 ppm1 0.679 ppm2 2.158 CV 1 ASSI { 4577} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 183 and name HB3 )) 3.000 1.200 1.200 peak 4577 spectrum 1 weight 0.10000E+01 volume 0.29281E-02 ppm1 0.678 ppm2 2.062 CV 1 ASSI { 4578} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 131 and name HB2 )) 2.900 1.000 1.000 peak 4578 spectrum 1 weight 0.10000E+01 volume 0.35747E-02 ppm1 0.680 ppm2 1.989 CV 1 ASSI { 4579} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 174 and name HB2 )) 2.900 1.100 1.100 peak 4579 spectrum 1 weight 0.10000E+01 volume 0.60458E-02 ppm1 0.679 ppm2 1.249 CV 1 ASSI { 4580} ( segid " " and resid 174 and name HD2%) ( segid " " and resid 108 and name HG2%) 3.400 1.500 1.500 peak 4580 spectrum 1 weight 0.10000E+01 volume 0.31684E-02 ppm1 0.681 ppm2 0.929 CV 1 ASSI { 4581} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 174 and name HB2 )) 2.400 0.700 0.700 peak 4581 spectrum 1 weight 0.10000E+01 volume 0.46815E-02 ppm1 0.665 ppm2 1.245 CV 1 ASSI { 4582} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 129 and name HB2 )) 3.200 1.300 1.300 peak 4582 spectrum 1 weight 0.10000E+01 volume 0.37540E-02 ppm1 0.666 ppm2 1.169 CV 1 ASSI { 4585} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HB2 )) 3.300 1.400 1.400 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 4.264 ppm2 1.249 CV 1 ASSI { 4586} (( segid " " and resid 174 and name HB3 )) ( segid " " and resid 174 and name HD1%) 2.700 0.900 0.900 peak 4586 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 1.650 ppm2 0.672 CV 1 OR { 4586} (( segid " " and resid 174 and name HB3 )) ( segid " " and resid 174 and name HD2%) ASSI { 4587} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 171 and name H )) 2.600 0.900 0.900 peak 4587 spectrum 1 weight 0.10000E+01 volume 0.65164E-02 ppm1 0.617 ppm2 8.193 CV 1 ASSI { 4589} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 171 and name HA )) 1.900 0.500 0.500 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.21932E-01 ppm1 0.617 ppm2 4.140 CV 1 ASSI { 4590} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 91 and name HD2 )) 2.100 0.600 0.600 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.91230E-02 ppm1 0.696 ppm2 2.988 CV 1 ASSI { 4592} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 170 and name HB3 )) 2.200 2.200 3.800 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.24339E-02 ppm1 0.616 ppm2 1.927 CV 1 ASSI { 4593} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 171 and name HG )) 1.900 0.500 0.500 peak 4593 spectrum 1 weight 0.10000E+01 volume 0.22826E-01 ppm1 0.617 ppm2 1.428 CV 1 ASSI { 4594} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 171 and name HB2 )) 2.800 1.000 1.000 peak 4594 spectrum 1 weight 0.10000E+01 volume 0.10612E-01 ppm1 0.617 ppm2 1.347 CV 1 ASSI { 4595} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 173 and name HD1 )) 5.500 3.800 0.500 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 0.616 ppm2 7.272 CV 1 ASSI { 4596} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 193 and name H )) 3.400 1.400 1.400 peak 4596 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 1.433 ppm2 7.886 CV 1 ASSI { 4597} (( segid " " and resid 171 and name HG )) (( segid " " and resid 172 and name H )) 4.200 2.200 1.800 peak 4597 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 1.428 ppm2 8.336 CV 1 ASSI { 4598} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 75 and name H )) 3.200 1.200 1.200 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.41569E-02 ppm1 0.692 ppm2 8.345 CV 1 ASSI { 4603} (( segid " " and resid 171 and name HA )) (( segid " " and resid 172 and name H )) 2.500 2.500 3.500 peak 4603 spectrum 1 weight 0.10000E+01 volume 0.70782E-02 ppm1 4.143 ppm2 8.333 CV 1 ASSI { 4605} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 173 and name HE1 )) 2.400 0.700 0.700 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.40453E-02 ppm1 0.692 ppm2 10.155 CV 1 ASSI { 4606} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 173 and name HE1 )) 4.600 2.700 1.400 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 0.618 ppm2 10.160 CV 1 ASSI { 4607} ( segid " " and resid 112 and name HD2%) ( segid " " and resid 127 and name HD% ) 3.500 1.500 1.500 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.29518E-02 ppm1 0.694 ppm2 6.838 CV 1 ASSI { 4608} ( segid " " and resid 112 and name HD2%) ( segid " " and resid 127 and name HE% ) 4.600 2.700 1.400 peak 4608 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 0.694 ppm2 6.650 CV 1 ASSI { 4609} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 129 and name HA )) 3.700 1.700 1.700 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 0.690 ppm2 5.575 CV 1 ASSI { 4612} (( segid " " and resid 171 and name HA )) (( segid " " and resid 172 and name HA )) 4.700 2.800 1.300 peak 4612 spectrum 1 weight 0.10000E+01 volume 0.61608E-03 ppm1 4.142 ppm2 4.777 CV 1 ASSI { 4613} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 176 and name HB3 )) 4.200 2.300 1.800 peak 4613 spectrum 1 weight 0.10000E+01 volume 0.17298E-02 ppm1 0.688 ppm2 3.550 CV 1 ASSI { 4614} (( segid " " and resid 171 and name HA )) (( segid " " and resid 172 and name HB3 )) 4.200 2.300 1.800 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 4.140 ppm2 2.630 CV 1 ASSI { 4615} (( segid " " and resid 171 and name HA )) (( segid " " and resid 172 and name HB2 )) 3.200 1.300 1.300 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 4.139 ppm2 2.836 CV 1 ASSI { 4616} (( segid " " and resid 171 and name HA )) (( segid " " and resid 170 and name HB3 )) 4.500 2.500 1.500 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.64655E-03 ppm1 4.147 ppm2 1.946 CV 1 ASSI { 4617} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 170 and name HB2 )) 2.300 2.300 3.700 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.17873E-02 ppm1 0.616 ppm2 1.812 CV 1 ASSI { 4619} (( segid " " and resid 171 and name HB3 )) (( segid " " and resid 171 and name HB2 )) 1.700 0.400 0.500 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.62761E-02 ppm1 0.853 ppm2 1.345 CV 1 ASSI { 4620} (( segid " " and resid 171 and name HB2 )) (( segid " " and resid 171 and name HG )) 2.300 0.700 0.700 peak 4620 spectrum 1 weight 0.10000E+01 volume 0.35036E-02 ppm1 1.346 ppm2 1.415 CV 1 ASSI { 4621} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HB2 )) 2.900 1.100 1.100 peak 4621 spectrum 1 weight 0.10000E+01 volume 0.28231E-02 ppm1 4.142 ppm2 1.344 CV 1 ASSI { 4622} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 171 and name HB3 )) 2.300 0.600 0.600 peak 4622 spectrum 1 weight 0.10000E+01 volume 0.97965E-02 ppm1 0.618 ppm2 0.852 CV 1 ASSI { 4623} (( segid " " and resid 171 and name HB3 )) ( segid " " and resid 171 and name HD1%) 2.600 0.800 0.800 peak 4623 spectrum 1 weight 0.10000E+01 volume 0.40081E-02 ppm1 0.852 ppm2 0.693 CV 1 ASSI { 4625} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HB3 )) 2.400 0.700 0.700 peak 4625 spectrum 1 weight 0.10000E+01 volume 0.31617E-02 ppm1 4.145 ppm2 0.849 CV 1 ASSI { 4629} (( segid " " and resid 171 and name HB2 )) ( segid " " and resid 171 and name HD1%) 2.700 0.900 0.900 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.48374E-02 ppm1 1.346 ppm2 0.694 CV 1 ASSI { 4631} (( segid " " and resid 171 and name HB2 )) ( segid " " and resid 130 and name HG2%) 3.800 1.800 1.800 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 1.347 ppm2 0.482 CV 1 ASSI { 4639} (( segid " " and resid 170 and name HG2 )) (( segid " " and resid 170 and name H )) 3.000 1.100 1.100 peak 4639 spectrum 1 weight 0.10000E+01 volume 0.48813E-02 ppm1 2.127 ppm2 7.891 CV 1 OR { 4639} (( segid " " and resid 170 and name HG3 )) (( segid " " and resid 170 and name H )) ASSI { 4640} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 137 and name H )) 2.800 1.000 1.000 peak 4640 spectrum 1 weight 0.10000E+01 volume 0.35646E-02 ppm1 2.140 ppm2 8.178 CV 1 ASSI { 4643} (( segid " " and resid 170 and name HA )) (( segid " " and resid 171 and name H )) 2.100 0.600 0.600 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.11767E-01 ppm1 4.210 ppm2 8.191 CV 1 ASSI { 4644} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name H )) 2.100 0.600 0.600 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.70850E-02 ppm1 2.143 ppm2 8.366 CV 1 ASSI { 4645} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 135 and name H )) 2.500 0.800 0.800 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.73356E-02 ppm1 2.149 ppm2 8.276 CV 1 ASSI { 4646} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 172 and name HD21)) 5.000 3.200 1.000 peak 4646 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 2.138 ppm2 7.403 CV 1 OR { 4646} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 172 and name HD21)) ASSI { 4647} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 172 and name HD22)) 4.100 2.100 1.900 peak 4647 spectrum 1 weight 0.10000E+01 volume 0.14658E-02 ppm1 2.142 ppm2 6.992 CV 1 OR { 4647} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 172 and name HD22)) ASSI { 4649} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 135 and name HA )) 2.400 0.700 0.700 peak 4649 spectrum 1 weight 0.10000E+01 volume 0.18422E-01 ppm1 2.145 ppm2 4.128 CV 1 ASSI { 4650} (( segid " " and resid 170 and name HG3 )) (( segid " " and resid 170 and name HA )) 2.700 0.900 0.900 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.65942E-02 ppm1 2.131 ppm2 4.207 CV 1 OR { 4650} (( segid " " and resid 170 and name HG2 )) (( segid " " and resid 170 and name HA )) ASSI { 4651} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 137 and name HE3 )) 3.400 1.500 1.500 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.26844E-02 ppm1 2.141 ppm2 2.902 CV 1 ASSI { 4654} (( segid " " and resid 170 and name HB3 )) (( segid " " and resid 170 and name HG3 )) 2.300 0.600 0.600 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.18226E-01 ppm1 1.938 ppm2 2.120 CV 1 ASSI { 4656} (( segid " " and resid 170 and name HG2 )) (( segid " " and resid 170 and name HB2 )) 2.200 0.600 0.600 peak 4656 spectrum 1 weight 0.10000E+01 volume 0.13253E-01 ppm1 2.127 ppm2 1.798 CV 1 OR { 4656} (( segid " " and resid 170 and name HG3 )) (( segid " " and resid 170 and name HB2 )) ASSI { 4658} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 133 and name HG )) 3.600 1.600 1.600 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.30906E-02 ppm1 2.142 ppm2 1.482 CV 1 OR { 4658} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 133 and name HG )) ASSI { 4660} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HB3 )) 3.500 1.500 1.500 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.17535E-02 ppm1 4.211 ppm2 1.433 CV 1 ASSI { 4662} (( segid " " and resid 181 and name HB3 )) (( segid " " and resid 181 and name HG3 )) 3.400 1.500 1.500 peak 4662 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 1.800 ppm2 1.591 CV 1 ASSI { 4663} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 192 and name HG )) 3.300 1.400 1.400 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.13303E-02 ppm1 1.933 ppm2 1.367 CV 1 ASSI { 4664} (( segid " " and resid 135 and name HG2 )) ( segid " " and resid 133 and name HD1%) 2.800 1.000 1.000 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 2.139 ppm2 0.817 CV 1 OR { 4664} (( segid " " and resid 135 and name HG3 )) ( segid " " and resid 133 and name HD1%) ASSI { 4665} (( segid " " and resid 170 and name HG3 )) ( segid " " and resid 171 and name HD2%) 4.500 2.500 1.500 peak 4665 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 2.141 ppm2 0.618 CV 1 OR { 4665} (( segid " " and resid 170 and name HG2 )) ( segid " " and resid 171 and name HD2%) ASSI { 4666} (( segid " " and resid 170 and name HA )) ( segid " " and resid 171 and name HD2%) 3.900 1.900 1.900 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.89028E-03 ppm1 4.222 ppm2 0.615 CV 1 ASSI { 4672} (( segid " " and resid 169 and name HA )) (( segid " " and resid 172 and name HD22)) 4.000 2.000 2.000 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 4.453 ppm2 6.992 CV 1 ASSI { 4674} (( segid " " and resid 169 and name HA )) (( segid " " and resid 170 and name HA )) 3.400 1.400 1.400 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 4.453 ppm2 4.200 CV 1 ASSI { 4677} (( segid " " and resid 169 and name HA )) (( segid " " and resid 138 and name HG2 )) 4.600 2.600 1.400 peak 4677 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 4.457 ppm2 1.329 CV 1 ASSI { 4678} (( segid " " and resid 169 and name HA )) ( segid " " and resid 171 and name HD2%) 4.300 2.300 1.700 peak 4678 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 4.457 ppm2 0.628 CV 1 ASSI { 4679} (( segid " " and resid 138 and name HA )) (( segid " " and resid 169 and name H )) 2.500 2.500 3.500 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.10697E-01 ppm1 4.197 ppm2 8.325 CV 1 ASSI { 4680} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name H )) 2.400 0.700 0.700 peak 4680 spectrum 1 weight 0.10000E+01 volume 0.53382E-02 ppm1 4.198 ppm2 8.094 CV 1 ASSI { 4681} (( segid " " and resid 126 and name HA )) (( segid " " and resid 127 and name H )) 3.100 1.200 1.200 peak 4681 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 4.187 ppm2 7.827 CV 1 ASSI { 4682} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name H )) 2.800 1.000 1.000 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.18720E-02 ppm1 4.189 ppm2 7.671 CV 1 ASSI { 4683} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 170 and name H )) 3.500 1.500 1.500 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.88012E-03 ppm1 1.792 ppm2 7.889 CV 1 ASSI { 4689} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 170 and name H )) 4.400 2.400 1.600 peak 4689 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 2.905 ppm2 7.877 CV 1 OR { 4689} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 170 and name H )) ASSI { 4695} (( segid " " and resid 126 and name HA )) ( segid " " and resid 197 and name HE% ) 4.200 2.300 1.800 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 4.188 ppm2 7.110 CV 1 ASSI { 4696} (( segid " " and resid 126 and name HA )) ( segid " " and resid 197 and name HD% ) 2.500 0.800 0.800 peak 4696 spectrum 1 weight 0.10000E+01 volume 0.22612E-02 ppm1 4.194 ppm2 7.009 CV 1 ASSI { 4698} (( segid " " and resid 126 and name HA )) (( segid " " and resid 125 and name HA )) 3.000 3.000 3.000 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.25016E-02 ppm1 4.199 ppm2 4.452 CV 1 ASSI { 4702} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HA )) 2.400 0.700 0.700 peak 4702 spectrum 1 weight 0.10000E+01 volume 0.62996E-02 ppm1 1.698 ppm2 4.199 CV 1 ASSI { 4713} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HG2 )) 2.600 0.800 0.800 peak 4713 spectrum 1 weight 0.10000E+01 volume 0.61574E-02 ppm1 4.197 ppm2 1.325 CV 1 ASSI { 4716} (( segid " " and resid 126 and name HA )) (( segid " " and resid 196 and name HB3 )) 3.200 1.300 1.300 peak 4716 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 4.201 ppm2 0.813 CV 1 ASSI { 4717} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name H )) 2.300 0.600 0.600 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.11865E-01 ppm1 4.262 ppm2 8.102 CV 1 ASSI { 4719} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HA )) 3.000 1.100 1.100 peak 4719 spectrum 1 weight 0.10000E+01 volume 0.29686E-02 ppm1 1.281 ppm2 4.607 CV 1 ASSI { 4720} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HA )) 3.000 1.200 1.200 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.37912E-02 ppm1 1.358 ppm2 4.259 CV 1 ASSI { 4721} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HA )) 2.600 0.900 0.900 peak 4721 spectrum 1 weight 0.10000E+01 volume 0.38016E-02 ppm1 1.312 ppm2 4.259 CV 1 ASSI { 4724} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG2 )) 2.500 0.800 0.800 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.69834E-02 ppm1 4.261 ppm2 1.323 CV 1 OR { 4724} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HG3 )) ASSI { 4725} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 169 and name H )) 2.600 0.800 0.800 peak 4725 spectrum 1 weight 0.10000E+01 volume 0.74879E-02 ppm1 1.982 ppm2 8.367 CV 1 ASSI { 4729} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 135 and name H )) 2.900 1.100 1.100 peak 4729 spectrum 1 weight 0.10000E+01 volume 0.49728E-02 ppm1 1.977 ppm2 8.276 CV 1 ASSI { 4731} (( segid " " and resid 136 and name HG3 )) (( segid " " and resid 137 and name H )) 3.000 1.100 1.100 peak 4731 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 2.185 ppm2 8.144 CV 1 ASSI { 4736} (( segid " " and resid 136 and name HG3 )) (( segid " " and resid 137 and name HG3 )) 2.800 0.900 0.900 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 2.190 ppm2 1.340 CV 1 ASSI { 4737} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name H )) 3.300 1.300 1.300 peak 4737 spectrum 1 weight 0.10000E+01 volume 0.30736E-02 ppm1 2.411 ppm2 8.187 CV 1 ASSI { 4739} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name H )) 2.100 2.100 3.900 peak 4739 spectrum 1 weight 0.10000E+01 volume 0.11300E-01 ppm1 4.420 ppm2 8.275 CV 1 ASSI { 4740} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name H )) 2.400 0.700 0.700 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.61642E-02 ppm1 4.421 ppm2 8.184 CV 1 ASSI { 4741} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 134 and name HG2 )) 2.400 0.700 0.700 peak 4741 spectrum 1 weight 0.10000E+01 volume 0.34392E-02 ppm1 1.920 ppm2 2.415 CV 1 ASSI { 4743} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HA )) 3.700 1.700 1.700 peak 4743 spectrum 1 weight 0.10000E+01 volume 0.37607E-02 ppm1 2.411 ppm2 4.417 CV 1 ASSI { 4746} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB3 )) 2.400 0.700 0.700 peak 4746 spectrum 1 weight 0.10000E+01 volume 0.71932E-02 ppm1 4.420 ppm2 1.911 CV 1 ASSI { 4747} (( segid " " and resid 134 and name HG2 )) ( segid " " and resid 133 and name HD1%) 5.500 3.700 0.500 peak 4747 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 2.414 ppm2 0.807 CV 1 ASSI { 4749} (( segid " " and resid 31 and name HG3 )) ( segid " " and resid 23 and name HG2%) 4.400 2.400 1.600 peak 4749 spectrum 1 weight 0.10000E+01 volume 0.81580E-03 ppm1 2.551 ppm2 1.341 CV 1 ASSI { 4750} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 132 and name H )) 3.500 1.500 1.500 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 0.829 ppm2 8.627 CV 1 ASSI { 4752} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 133 and name H )) 2.700 0.900 0.900 peak 4752 spectrum 1 weight 0.10000E+01 volume 0.61236E-02 ppm1 0.826 ppm2 8.196 CV 1 ASSI { 4754} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 172 and name HD22)) 4.100 2.100 1.900 peak 4754 spectrum 1 weight 0.10000E+01 volume 0.15944E-02 ppm1 0.825 ppm2 6.988 CV 1 ASSI { 4755} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 132 and name HA )) 5.000 3.100 1.000 peak 4755 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 1.484 ppm2 4.113 CV 1 ASSI { 4758} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 131 and name HA )) 3.500 1.600 1.600 peak 4758 spectrum 1 weight 0.10000E+01 volume 0.16993E-02 ppm1 0.828 ppm2 4.426 CV 1 ASSI { 4759} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 4759 spectrum 1 weight 0.10000E+01 volume 0.73796E-02 ppm1 0.826 ppm2 4.300 CV 1 ASSI { 4762} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 131 and name HD2 )) 4.200 2.200 1.800 peak 4762 spectrum 1 weight 0.10000E+01 volume 0.18212E-02 ppm1 0.825 ppm2 2.926 CV 1 ASSI { 4763} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 172 and name HB2 )) 3.900 1.900 1.900 peak 4763 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 0.828 ppm2 2.835 CV 1 ASSI { 4764} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 172 and name HB3 )) 4.700 2.700 1.300 peak 4764 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 0.829 ppm2 2.628 CV 1 ASSI { 4765} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 134 and name HG2 )) 4.900 3.000 1.100 peak 4765 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 0.832 ppm2 2.416 CV 1 ASSI { 4766} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 135 and name HG3 )) 4.100 2.100 1.900 peak 4766 spectrum 1 weight 0.10000E+01 volume 0.59238E-03 ppm1 1.480 ppm2 2.152 CV 1 ASSI { 4768} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 135 and name HG3 )) 3.400 1.400 1.400 peak 4768 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 1.568 ppm2 2.134 CV 1 ASSI { 4772} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name HB2 )) 1.500 0.300 0.700 peak 4772 spectrum 1 weight 0.10000E+01 volume 0.12312E-01 ppm1 1.485 ppm2 1.569 CV 1 ASSI { 4773} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) 2.700 0.900 0.900 peak 4773 spectrum 1 weight 0.10000E+01 volume 0.52131E-02 ppm1 4.300 ppm2 1.570 CV 1 ASSI { 4774} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB3 )) 2.000 0.500 0.500 peak 4774 spectrum 1 weight 0.10000E+01 volume 0.79990E-02 ppm1 4.302 ppm2 1.490 CV 1 ASSI { 4775} (( segid " " and resid 133 and name HB3 )) ( segid " " and resid 133 and name HD2%) 2.300 0.600 0.600 peak 4775 spectrum 1 weight 0.10000E+01 volume 0.66653E-02 ppm1 1.485 ppm2 0.808 CV 1 OR { 4775} (( segid " " and resid 133 and name HB3 )) ( segid " " and resid 133 and name HD1%) ASSI { 4776} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 133 and name HD1%) 2.300 0.700 0.700 peak 4776 spectrum 1 weight 0.10000E+01 volume 0.71493E-02 ppm1 1.570 ppm2 0.809 CV 1 OR { 4776} (( segid " " and resid 133 and name HB2 )) ( segid " " and resid 133 and name HD2%) ASSI { 4777} (( segid " " and resid 133 and name HA )) ( segid " " and resid 133 and name HD2%) 2.500 0.800 0.800 peak 4777 spectrum 1 weight 0.10000E+01 volume 0.99895E-02 ppm1 4.300 ppm2 0.797 CV 1 OR { 4777} (( segid " " and resid 133 and name HA )) ( segid " " and resid 133 and name HD1%) ASSI { 4778} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name H )) 2.500 0.800 0.800 peak 4778 spectrum 1 weight 0.10000E+01 volume 0.28603E-02 ppm1 1.930 ppm2 8.627 CV 1 ASSI { 4779} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name H )) 2.800 1.000 1.000 peak 4779 spectrum 1 weight 0.10000E+01 volume 0.21563E-02 ppm1 2.122 ppm2 8.628 CV 1 ASSI { 4780} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name H )) 3.200 1.300 1.300 peak 4780 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 2.014 ppm2 8.627 CV 1 ASSI { 4781} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 133 and name H )) 4.300 2.300 1.700 peak 4781 spectrum 1 weight 0.10000E+01 volume 0.16485E-02 ppm1 2.012 ppm2 8.205 CV 1 ASSI { 4782} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 133 and name H )) 3.500 1.500 1.500 peak 4782 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 1.825 ppm2 8.200 CV 1 ASSI { 4783} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 133 and name H )) 3.700 1.700 1.700 peak 4783 spectrum 1 weight 0.10000E+01 volume 0.30906E-02 ppm1 1.933 ppm2 8.199 CV 1 ASSI { 4784} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 191 and name HA )) 5.300 3.500 0.700 peak 4784 spectrum 1 weight 0.10000E+01 volume 0.76166E-03 ppm1 1.843 ppm2 4.888 CV 1 ASSI { 4785} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HA )) 3.100 1.200 1.200 peak 4785 spectrum 1 weight 0.10000E+01 volume 0.36491E-02 ppm1 2.118 ppm2 4.107 CV 1 ASSI { 4786} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HA )) 2.500 0.800 0.800 peak 4786 spectrum 1 weight 0.10000E+01 volume 0.39336E-02 ppm1 2.015 ppm2 4.110 CV 1 ASSI { 4787} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 131 and name HA )) 5.300 3.600 0.700 peak 4787 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 1.829 ppm2 4.455 CV 1 ASSI { 4788} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HB2 )) 1.700 0.400 0.500 peak 4788 spectrum 1 weight 0.10000E+01 volume 0.13043E-01 ppm1 1.836 ppm2 1.930 CV 1 ASSI { 4789} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HG2 )) 1.500 0.300 0.700 peak 4789 spectrum 1 weight 0.10000E+01 volume 0.22135E-01 ppm1 2.118 ppm2 2.012 CV 1 ASSI { 4790} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HB2 )) 2.200 0.600 0.600 peak 4790 spectrum 1 weight 0.10000E+01 volume 0.75623E-02 ppm1 2.119 ppm2 1.929 CV 1 ASSI { 4791} (( segid " " and resid 132 and name HG3 )) (( segid " " and resid 132 and name HB3 )) 2.700 0.900 0.900 peak 4791 spectrum 1 weight 0.10000E+01 volume 0.66720E-02 ppm1 2.119 ppm2 1.839 CV 1 ASSI { 4792} (( segid " " and resid 132 and name HG2 )) (( segid " " and resid 132 and name HB3 )) 2.400 0.700 0.700 peak 4792 spectrum 1 weight 0.10000E+01 volume 0.73695E-02 ppm1 2.014 ppm2 1.840 CV 1 ASSI { 4794} (( segid " " and resid 132 and name HG2 )) ( segid " " and resid 192 and name HD2%) 3.200 1.300 1.300 peak 4794 spectrum 1 weight 0.10000E+01 volume 0.38998E-02 ppm1 2.015 ppm2 0.710 CV 1 OR { 4794} (( segid " " and resid 132 and name HG2 )) ( segid " " and resid 192 and name HD1%) ASSI { 4797} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 82 and name HA )) 4.500 2.500 1.500 peak 4797 spectrum 1 weight 0.10000E+01 volume 0.13033E-02 ppm1 1.528 ppm2 4.714 CV 1 ASSI { 4798} (( segid " " and resid 25 and name HB )) ( segid " " and resid 64 and name HB% ) 4.600 2.600 1.400 peak 4798 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 2.755 ppm2 1.529 CV 1 ASSI { 4799} (( segid " " and resid 25 and name HB )) (( segid " " and resid 26 and name H )) 3.400 1.400 1.400 peak 4799 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 2.730 ppm2 8.707 CV 1 ASSI { 4801} ( segid " " and resid 41 and name HB% ) (( segid " " and resid 39 and name H )) 2.600 2.600 3.400 peak 4801 spectrum 1 weight 0.10000E+01 volume 0.82257E-03 ppm1 1.357 ppm2 7.995 CV 1 ASSI { 4802} ( segid " " and resid 41 and name HB% ) ( segid " " and resid 40 and name HD2%) 3.900 1.900 1.900 peak 4802 spectrum 1 weight 0.10000E+01 volume 0.23628E-02 ppm1 1.351 ppm2 0.748 CV 1 ASSI { 4805} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name H )) 2.500 0.800 0.800 peak 4805 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 3.522 ppm2 8.106 CV 1 ASSI { 4807} (( segid " " and resid 83 and name HA )) (( segid " " and resid 48 and name H )) 4.100 2.100 1.900 peak 4807 spectrum 1 weight 0.10000E+01 volume 0.85642E-03 ppm1 3.522 ppm2 8.612 CV 1 ASSI { 4808} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HB2 )) 1.700 0.400 0.500 peak 4808 spectrum 1 weight 0.10000E+01 volume 0.88521E-02 ppm1 1.531 ppm2 1.338 CV 1 ASSI { 4809} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HD3 )) 2.700 0.900 0.900 peak 4809 spectrum 1 weight 0.10000E+01 volume 0.50911E-02 ppm1 1.530 ppm2 1.456 CV 1 ASSI { 4810} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HE3 )) 3.400 1.400 1.400 peak 4810 spectrum 1 weight 0.10000E+01 volume 0.84627E-03 ppm1 1.532 ppm2 2.799 CV 1 OR { 4810} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HE2 )) ASSI { 4811} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HE2 )) 2.700 0.900 0.900 peak 4811 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 0.913 ppm2 2.788 CV 1 OR { 4811} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HE3 )) OR { 4811} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 83 and name HE2 )) OR { 4811} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 83 and name HE3 )) ASSI { 4812} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.700 0.900 0.900 peak 4812 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 3.528 ppm2 1.332 CV 1 ASSI { 4815} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HG2 )) 5.200 3.400 0.800 peak 4815 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 3.516 ppm2 0.534 CV 1 ASSI { 4816} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HG2 )) 2.400 0.700 0.700 peak 4816 spectrum 1 weight 0.10000E+01 volume 0.43228E-02 ppm1 1.531 ppm2 0.912 CV 1 OR { 4816} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HG3 )) ASSI { 4817} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG3 )) 2.700 0.900 0.900 peak 4817 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 3.525 ppm2 0.916 CV 1 OR { 4817} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HG2 )) ASSI { 4819} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HD3 )) 2.300 0.700 0.700 peak 4819 spectrum 1 weight 0.10000E+01 volume 0.42381E-02 ppm1 1.339 ppm2 1.451 CV 1 ASSI { 4821} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 83 and name HG3 )) 2.000 0.500 0.500 peak 4821 spectrum 1 weight 0.10000E+01 volume 0.13127E-01 ppm1 1.453 ppm2 0.914 CV 1 OR { 4821} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 83 and name HG2 )) OR { 4821} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 83 and name HG3 )) OR { 4821} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 83 and name HG2 )) ASSI { 4822} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HE3 )) 4.000 2.000 2.000 peak 4822 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 1.339 ppm2 2.795 CV 1 OR { 4822} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name HE2 )) ASSI { 4823} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 47 and name HB3 )) 4.400 2.400 1.600 peak 4823 spectrum 1 weight 0.10000E+01 volume 0.82257E-03 ppm1 1.333 ppm2 1.828 CV 1 ASSI { 4826} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 4826 spectrum 1 weight 0.10000E+01 volume 0.50743E-02 ppm1 0.913 ppm2 1.334 CV 1 OR { 4826} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HB2 )) ASSI { 4828} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HA )) 3.100 1.200 1.200 peak 4828 spectrum 1 weight 0.10000E+01 volume 0.18550E-02 ppm1 1.530 ppm2 3.524 CV 1 ASSI { 4830} (( segid " " and resid 83 and name HA )) (( segid " " and resid 47 and name HA )) 2.600 0.900 0.900 peak 4830 spectrum 1 weight 0.10000E+01 volume 0.12119E-02 ppm1 3.521 ppm2 4.874 CV 1 ASSI { 4831} (( segid " " and resid 83 and name HA )) (( segid " " and resid 82 and name HA )) 4.100 2.100 1.900 peak 4831 spectrum 1 weight 0.10000E+01 volume 0.59915E-03 ppm1 3.541 ppm2 4.715 CV 1 ASSI { 4832} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 82 and name HA )) 4.400 2.400 1.600 peak 4832 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 1.338 ppm2 4.711 CV 1 ASSI { 4833} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 47 and name HA )) 4.000 2.000 2.000 peak 4833 spectrum 1 weight 0.10000E+01 volume 0.85304E-03 ppm1 0.911 ppm2 4.872 CV 1 OR { 4833} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 47 and name HA )) ASSI { 4836} (( segid " " and resid 83 and name HB2 )) ( segid " " and resid 47 and name HE% ) 3.100 1.200 1.200 peak 4836 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 1.337 ppm2 7.103 CV 1 ASSI { 4838} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 85 and name H )) 2.100 0.500 0.500 peak 4838 spectrum 1 weight 0.10000E+01 volume 0.45937E-02 ppm1 0.914 ppm2 7.119 CV 1 OR { 4838} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 85 and name H )) ASSI { 4839} (( segid " " and resid 83 and name HG3 )) ( segid " " and resid 47 and name HD% ) 3.400 1.500 1.500 peak 4839 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 0.911 ppm2 6.703 CV 1 OR { 4839} (( segid " " and resid 83 and name HG2 )) ( segid " " and resid 47 and name HD% ) ASSI { 4841} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 84 and name H )) 4.100 2.100 1.900 peak 4841 spectrum 1 weight 0.10000E+01 volume 0.11035E-02 ppm1 1.538 ppm2 8.107 CV 1 ASSI { 4843} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name H )) 2.500 0.800 0.800 peak 4843 spectrum 1 weight 0.10000E+01 volume 0.32565E-02 ppm1 1.533 ppm2 8.418 CV 1 ASSI { 4844} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 83 and name H )) 2.700 0.900 0.900 peak 4844 spectrum 1 weight 0.10000E+01 volume 0.26572E-02 ppm1 1.340 ppm2 8.419 CV 1 ASSI { 4845} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 84 and name H )) 3.100 1.200 1.200 peak 4845 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 0.913 ppm2 8.102 CV 1 OR { 4845} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 84 and name H )) ASSI { 4846} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name H )) 3.900 1.900 1.900 peak 4846 spectrum 1 weight 0.10000E+01 volume 0.17095E-02 ppm1 0.918 ppm2 8.417 CV 1 OR { 4846} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 83 and name H )) ASSI { 4847} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name H )) 3.300 1.400 1.400 peak 4847 spectrum 1 weight 0.10000E+01 volume 0.15368E-02 ppm1 4.443 ppm2 7.671 CV 1 ASSI { 4850} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 125 and name H )) 2.500 0.800 0.800 peak 4850 spectrum 1 weight 0.10000E+01 volume 0.37034E-02 ppm1 2.401 ppm2 8.008 CV 1 ASSI { 4852} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 127 and name H )) 4.400 2.400 1.600 peak 4852 spectrum 1 weight 0.10000E+01 volume 0.85642E-03 ppm1 2.481 ppm2 7.833 CV 1 ASSI { 4853} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HD2 )) 4.500 2.500 1.500 peak 4853 spectrum 1 weight 0.10000E+01 volume 0.73119E-03 ppm1 4.439 ppm2 7.081 CV 1 ASSI { 4855} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 125 and name HB2 )) 1.700 0.400 0.500 peak 4855 spectrum 1 weight 0.10000E+01 volume 0.23520E-01 ppm1 2.484 ppm2 2.400 CV 1 ASSI { 4858} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB2 )) 2.600 0.800 0.800 peak 4858 spectrum 1 weight 0.10000E+01 volume 0.77993E-02 ppm1 4.433 ppm2 2.406 CV 1 ASSI { 4859} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 126 and name HG3 )) 4.500 2.500 1.500 peak 4859 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 2.480 ppm2 2.113 CV 1 ASSI { 4860} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 126 and name HG2 )) 4.200 2.200 1.800 peak 4860 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 2.395 ppm2 1.821 CV 1 ASSI { 4862} (( segid " " and resid -1 and name HA )) (( segid " " and resid 0 and name H )) 2.100 0.600 0.600 peak 4862 spectrum 1 weight 0.10000E+01 volume 0.15287E-01 ppm1 4.532 ppm2 8.043 CV 1 ASSI { 4863} (( segid " " and resid -1 and name HA )) ( segid " " and resid -1 and name HD% ) 2.700 0.900 0.900 peak 4863 spectrum 1 weight 0.10000E+01 volume 0.72341E-02 ppm1 4.531 ppm2 7.216 CV 1 ASSI { 4864} (( segid " " and resid -1 and name HA )) (( segid " " and resid -1 and name HB2 )) 2.500 0.800 0.800 peak 4864 spectrum 1 weight 0.10000E+01 volume 0.11811E-01 ppm1 4.532 ppm2 3.102 CV 1 ASSI { 4865} (( segid " " and resid -1 and name HA )) (( segid " " and resid -1 and name HB3 )) 2.400 0.700 0.700 peak 4865 spectrum 1 weight 0.10000E+01 volume 0.86015E-02 ppm1 4.532 ppm2 2.987 CV 1 ASSI { 4867} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 183 and name HE21)) 3.500 1.500 1.500 peak 4867 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 0.595 ppm2 6.506 CV 1 ASSI { 4869} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG2 )) 3.300 1.400 1.400 peak 4869 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 4.571 ppm2 2.450 CV 1 OR { 4869} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB2 )) ASSI { 4870} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB3 )) 2.600 0.900 0.900 peak 4870 spectrum 1 weight 0.10000E+01 volume 0.27588E-02 ppm1 4.571 ppm2 2.256 CV 1 ASSI { 4871} (( segid " " and resid 92 and name HG3 )) (( segid " " and resid 92 and name HG2 )) 2.100 0.500 0.500 peak 4871 spectrum 1 weight 0.10000E+01 volume 0.41435E-02 ppm1 2.587 ppm2 2.451 CV 1 OR { 4871} (( segid " " and resid 92 and name HG3 )) (( segid " " and resid 92 and name HB2 )) ASSI { 4872} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name HB3 )) 2.200 0.600 0.600 peak 4872 spectrum 1 weight 0.10000E+01 volume 0.21902E-02 ppm1 2.449 ppm2 2.255 CV 1 OR { 4872} (( segid " " and resid 92 and name HG2 )) (( segid " " and resid 92 and name HB3 )) ASSI { 4876} (( segid " " and resid 92 and name HG3 )) (( segid " " and resid 92 and name HA )) 3.300 1.300 1.300 peak 4876 spectrum 1 weight 0.10000E+01 volume 0.92413E-03 ppm1 2.590 ppm2 4.564 CV 1 ASSI { 4878} (( segid " " and resid 92 and name HG3 )) (( segid " " and resid 92 and name H )) 3.800 1.800 1.800 peak 4878 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 2.583 ppm2 8.934 CV 1 ASSI { 4879} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 92 and name H )) 2.800 1.000 1.000 peak 4879 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 2.445 ppm2 8.939 CV 1 OR { 4879} (( segid " " and resid 92 and name HG2 )) (( segid " " and resid 92 and name H )) ASSI { 4882} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 91 and name HA )) 4.800 2.800 1.200 peak 4882 spectrum 1 weight 0.10000E+01 volume 0.61608E-03 ppm1 2.449 ppm2 4.799 CV 1 ASSI { 4883} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name H )) 3.100 1.200 1.200 peak 4883 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 4.166 ppm2 8.061 CV 1 ASSI { 4884} (( segid " " and resid 103 and name HA )) (( segid " " and resid 105 and name H )) 4.600 2.700 1.400 peak 4884 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 4.180 ppm2 8.618 CV 1 ASSI { 4885} (( segid " " and resid 106 and name HA )) (( segid " " and resid 107 and name H )) 2.700 0.900 0.900 peak 4885 spectrum 1 weight 0.10000E+01 volume 0.31684E-02 ppm1 4.499 ppm2 8.524 CV 1 ASSI { 4889} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 19 and name HZ )) 4.000 2.000 2.000 peak 4889 spectrum 1 weight 0.10000E+01 volume 0.29146E-02 ppm1 2.052 ppm2 6.975 CV 1 ASSI { 4890} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 112 and name H )) 4.000 2.000 2.000 peak 4890 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 1.951 ppm2 8.754 CV 1 ASSI { 4891} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 111 and name H )) 3.600 1.700 1.700 peak 4891 spectrum 1 weight 0.10000E+01 volume 0.31413E-02 ppm1 1.951 ppm2 8.396 CV 1 ASSI { 4892} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 110 and name H )) 2.500 2.500 3.500 peak 4892 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 1.952 ppm2 7.016 CV 1 ASSI { 4893} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 111 and name HA )) 4.000 2.000 2.000 peak 4893 spectrum 1 weight 0.10000E+01 volume 0.23391E-02 ppm1 1.950 ppm2 4.009 CV 1 ASSI { 4894} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 107 and name HA )) 3.600 1.600 1.600 peak 4894 spectrum 1 weight 0.10000E+01 volume 0.20311E-02 ppm1 1.949 ppm2 3.831 CV 1 ASSI { 4895} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 108 and name HA )) 2.500 0.800 0.800 peak 4895 spectrum 1 weight 0.10000E+01 volume 0.24914E-02 ppm1 1.950 ppm2 3.457 CV 1 ASSI { 4896} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 131 and name HD2 )) 3.500 1.500 1.500 peak 4896 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 1.949 ppm2 2.975 CV 1 ASSI { 4897} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 106 and name HE3 )) 2.500 2.500 3.500 peak 4897 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 1.951 ppm2 2.847 CV 1 ASSI { 4898} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 111 and name HG2 )) 2.600 0.800 0.800 peak 4898 spectrum 1 weight 0.10000E+01 volume 0.91093E-02 ppm1 1.950 ppm2 2.574 CV 1 ASSI { 4899} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 111 and name HG3 )) 2.300 0.700 0.700 peak 4899 spectrum 1 weight 0.10000E+01 volume 0.92279E-02 ppm1 1.950 ppm2 2.242 CV 1 ASSI { 4901} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 106 and name HD2 )) 3.000 1.100 1.100 peak 4901 spectrum 1 weight 0.10000E+01 volume 0.27554E-02 ppm1 1.946 ppm2 1.462 CV 1 ASSI { 4902} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 106 and name HG2 )) 2.200 2.200 3.800 peak 4902 spectrum 1 weight 0.10000E+01 volume 0.25287E-02 ppm1 1.949 ppm2 1.318 CV 1 ASSI { 4903} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 180 and name HB3 )) 3.400 1.400 1.400 peak 4903 spectrum 1 weight 0.10000E+01 volume 0.49929E-02 ppm1 1.950 ppm2 1.171 CV 1 ASSI { 4904} ( segid " " and resid 111 and name HE% ) ( segid " " and resid 108 and name HG2%) 2.900 1.100 1.100 peak 4904 spectrum 1 weight 0.10000E+01 volume 0.39843E-02 ppm1 1.950 ppm2 0.929 CV 1 ASSI { 4905} ( segid " " and resid 111 and name HE% ) ( segid " " and resid 180 and name HD1%) 1.700 0.400 0.500 peak 4905 spectrum 1 weight 0.10000E+01 volume 0.33384E-01 ppm1 1.950 ppm2 0.735 CV 1 ASSI { 4907} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HG2 )) 3.200 1.300 1.300 peak 4907 spectrum 1 weight 0.10000E+01 volume 0.84120E-02 ppm1 1.893 ppm2 2.472 CV 1 ASSI { 4908} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 1 and name HA )) 2.400 0.700 0.700 peak 4908 spectrum 1 weight 0.10000E+01 volume 0.80463E-02 ppm1 1.901 ppm2 4.383 CV 1 ASSI { 4909} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 3 and name H )) 2.500 0.800 0.800 peak 4909 spectrum 1 weight 0.10000E+01 volume 0.75251E-02 ppm1 1.900 ppm2 7.838 CV 1 ASSI { 4910} (( segid " " and resid 87 and name HA )) ( segid " " and resid 99 and name HG2%) 3.100 1.200 1.200 peak 4910 spectrum 1 weight 0.10000E+01 volume 0.20514E-02 ppm1 4.639 ppm2 0.908 CV 1 ASSI { 4912} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 88 and name H )) 5.500 3.700 0.500 peak 4912 spectrum 1 weight 0.10000E+01 volume 0.61269E-03 ppm1 1.859 ppm2 9.008 CV 1 ASSI { 4913} (( segid " " and resid 87 and name HD3 )) (( segid " " and resid 86 and name HA )) 2.600 0.900 0.900 peak 4913 spectrum 1 weight 0.10000E+01 volume 0.18449E-02 ppm1 3.520 ppm2 4.800 CV 1 ASSI { 4914} (( segid " " and resid 87 and name HG3 )) (( segid " " and resid 86 and name HA )) 4.700 2.800 1.300 peak 4914 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 1.863 ppm2 4.800 CV 1 ASSI { 4915} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HA )) 3.400 1.400 1.400 peak 4915 spectrum 1 weight 0.10000E+01 volume 0.14658E-02 ppm1 1.683 ppm2 4.631 CV 1 ASSI { 4917} (( segid " " and resid 87 and name HD3 )) (( segid " " and resid 87 and name HG3 )) 2.600 0.900 0.900 peak 4917 spectrum 1 weight 0.10000E+01 volume 0.24643E-02 ppm1 3.518 ppm2 1.877 CV 1 OR { 4917} (( segid " " and resid 87 and name HD3 )) (( segid " " and resid 87 and name HB3 )) ASSI { 4919} (( segid " " and resid 87 and name HD3 )) (( segid " " and resid 87 and name HB2 )) 4.400 2.400 1.600 peak 4919 spectrum 1 weight 0.10000E+01 volume 0.89705E-03 ppm1 3.517 ppm2 1.663 CV 1 ASSI { 4921} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB3 )) 2.500 0.800 0.800 peak 4921 spectrum 1 weight 0.10000E+01 volume 0.30736E-02 ppm1 4.633 ppm2 1.902 CV 1 ASSI { 4923} (( segid " " and resid 91 and name HA )) ( segid " " and resid 97 and name HG1%) 4.300 2.300 1.700 peak 4923 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 4.817 ppm2 0.816 CV 1 ASSI { 4925} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HB2 )) 2.300 0.700 0.700 peak 4925 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 1.710 ppm2 1.370 CV 1 OR { 4925} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HG3 )) ASSI { 4926} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG3 )) 2.600 0.900 0.900 peak 4926 spectrum 1 weight 0.10000E+01 volume 0.16993E-02 ppm1 4.815 ppm2 1.363 CV 1 OR { 4926} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) ASSI { 4927} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HA )) 3.600 1.600 1.600 peak 4927 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 1.693 ppm2 4.811 CV 1 ASSI { 4928} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HA )) 3.200 1.300 1.300 peak 4928 spectrum 1 weight 0.10000E+01 volume 0.62285E-03 ppm1 1.368 ppm2 4.803 CV 1 ASSI { 4929} (( segid " " and resid 91 and name HA )) (( segid " " and resid 92 and name H )) 2.500 0.800 0.800 peak 4929 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 4.816 ppm2 8.936 CV 1 ASSI { 4930} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name H )) 3.300 1.300 1.300 peak 4930 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 1.721 ppm2 9.214 CV 1 ASSI { 4932} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name H )) 3.100 1.200 1.200 peak 4932 spectrum 1 weight 0.10000E+01 volume 0.80905E-03 ppm1 4.815 ppm2 9.207 CV 1 ASSI { 4933} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HD3 )) 3.300 1.400 1.400 peak 4933 spectrum 1 weight 0.10000E+01 volume 0.69395E-03 ppm1 1.378 ppm2 3.183 CV 1 ASSI { 4934} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HD3 )) 4.600 2.700 1.400 peak 4934 spectrum 1 weight 0.10000E+01 volume 0.57210E-03 ppm1 1.394 ppm2 3.166 CV 1 ASSI { 4935} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 173 and name HH2 )) 4.500 2.500 1.500 peak 4935 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 1.510 ppm2 6.836 CV 1 ASSI { 4936} (( segid " " and resid 194 and name HB2 )) (( segid " " and resid 173 and name HZ3 )) 3.500 1.500 1.500 peak 4936 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 1.499 ppm2 6.691 CV 1 ASSI { 4938} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 83 and name H )) 4.300 2.400 1.700 peak 4938 spectrum 1 weight 0.10000E+01 volume 0.84965E-03 ppm1 1.698 ppm2 8.414 CV 1 ASSI { 4939} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 173 and name HH2 )) 3.700 1.700 1.700 peak 4939 spectrum 1 weight 0.10000E+01 volume 0.89705E-03 ppm1 1.720 ppm2 6.846 CV 1 ASSI { 4943} (( segid " " and resid 194 and name HB2 )) ( segid " " and resid 93 and name HD1%) 4.600 2.600 1.400 peak 4943 spectrum 1 weight 0.10000E+01 volume 0.64316E-03 ppm1 1.498 ppm2 0.955 CV 1 ASSI { 4945} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name H )) 3.000 1.100 1.100 peak 4945 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 4.864 ppm2 8.327 CV 1 ASSI { 4946} (( segid " " and resid 101 and name HA )) (( segid " " and resid 102 and name H )) 2.200 0.600 0.600 peak 4946 spectrum 1 weight 0.10000E+01 volume 0.36491E-02 ppm1 4.868 ppm2 8.819 CV 1 ASSI { 4948} (( segid " " and resid 101 and name HA )) (( segid " " and resid 86 and name H )) 3.900 1.900 1.900 peak 4948 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 4.876 ppm2 9.314 CV 1 ASSI { 4949} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB2 )) 3.000 1.100 1.100 peak 4949 spectrum 1 weight 0.10000E+01 volume 0.23425E-02 ppm1 4.873 ppm2 1.891 CV 1 ASSI { 4950} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HG2 )) 3.300 1.300 1.300 peak 4950 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 4.875 ppm2 2.430 CV 1 ASSI { 4954} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HB2 )) 2.200 0.600 0.600 peak 4954 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 1.568 ppm2 1.888 CV 1 ASSI { 4955} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HG3 )) 3.200 1.300 1.300 peak 4955 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 1.552 ppm2 2.472 CV 1 OR { 4955} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HG2 )) ASSI { 4956} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HG2 )) 3.700 1.800 1.800 peak 4956 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 1.583 ppm2 2.430 CV 1 ASSI { 4957} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HG3 )) 3.000 1.100 1.100 peak 4957 spectrum 1 weight 0.10000E+01 volume 0.15775E-02 ppm1 1.898 ppm2 2.496 CV 1 ASSI { 4958} (( segid " " and resid 101 and name HB3 )) ( segid " " and resid 101 and name HE% ) 3.000 1.100 1.100 peak 4958 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 1.573 ppm2 1.741 CV 1 ASSI { 4961} (( segid " " and resid 124 and name HB3 )) (( segid " " and resid 124 and name HB2 )) 2.200 0.600 0.600 peak 4961 spectrum 1 weight 0.10000E+01 volume 0.21800E-02 ppm1 3.061 ppm2 2.925 CV 1 ASSI { 4962} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB3 )) 2.700 0.900 0.900 peak 4962 spectrum 1 weight 0.10000E+01 volume 0.28198E-02 ppm1 4.383 ppm2 3.045 CV 1 ASSI { 4963} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB2 )) 2.500 0.800 0.800 peak 4963 spectrum 1 weight 0.10000E+01 volume 0.27453E-02 ppm1 4.378 ppm2 2.923 CV 1 ASSI { 4965} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 126 and name HA )) 3.300 1.400 1.400 peak 4965 spectrum 1 weight 0.10000E+01 volume 0.93090E-03 ppm1 1.841 ppm2 4.171 CV 1 ASSI { 4966} (( segid " " and resid 194 and name HB3 )) ( segid " " and resid 93 and name HD1%) 4.200 2.200 1.800 peak 4966 spectrum 1 weight 0.10000E+01 volume 0.78197E-03 ppm1 1.727 ppm2 0.947 CV 1 ASSI { 4967} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 99 and name H )) 4.200 2.200 1.800 peak 4967 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 1.515 ppm2 8.414 CV 1 ASSI { 4969} (( segid " " and resid -2 and name HA )) ( segid " " and resid -1 and name HD% ) 4.200 2.200 1.800 peak 4969 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 4.249 ppm2 7.221 CV 1 ASSI { 4970} (( segid " " and resid -2 and name HA )) (( segid " " and resid -3 and name HA )) 3.800 1.800 1.800 peak 4970 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 4.250 ppm2 4.810 CV 1 ASSI { 4971} (( segid " " and resid -2 and name HA )) (( segid " " and resid -2 and name HD3 )) 3.300 1.400 1.400 peak 4971 spectrum 1 weight 0.10000E+01 volume 0.22782E-02 ppm1 4.252 ppm2 3.788 CV 1 ASSI { 4972} (( segid " " and resid -2 and name HA )) (( segid " " and resid -2 and name HD2 )) 3.500 1.600 1.600 peak 4972 spectrum 1 weight 0.10000E+01 volume 0.22138E-02 ppm1 4.251 ppm2 3.676 CV 1 ASSI { 4974} (( segid " " and resid -2 and name HA )) (( segid " " and resid -2 and name HG3 )) 3.400 1.500 1.500 peak 4974 spectrum 1 weight 0.10000E+01 volume 0.28265E-02 ppm1 4.254 ppm2 1.846 CV 1 ASSI { 4976} (( segid " " and resid -2 and name HA )) (( segid " " and resid -2 and name HB2 )) 2.600 0.800 0.800 peak 4976 spectrum 1 weight 0.10000E+01 volume 0.94173E-02 ppm1 4.255 ppm2 1.600 CV 1 ASSI { 4977} (( segid " " and resid -2 and name HG3 )) (( segid " " and resid -2 and name HD3 )) 2.100 0.600 0.600 peak 4977 spectrum 1 weight 0.10000E+01 volume 0.89604E-02 ppm1 1.847 ppm2 3.793 CV 1 ASSI { 4978} (( segid " " and resid -2 and name HG3 )) (( segid " " and resid -2 and name HD2 )) 3.000 1.100 1.100 peak 4978 spectrum 1 weight 0.10000E+01 volume 0.50302E-02 ppm1 1.848 ppm2 3.675 CV 1 ASSI { 4980} (( segid " " and resid -2 and name HG3 )) (( segid " " and resid -2 and name HB3 )) 2.300 0.600 0.600 peak 4980 spectrum 1 weight 0.10000E+01 volume 0.69971E-02 ppm1 1.851 ppm2 2.089 CV 1 ASSI { 4981} (( segid " " and resid -2 and name HG3 )) (( segid " " and resid -2 and name HG2 )) 1.500 0.300 0.700 peak 4981 spectrum 1 weight 0.10000E+01 volume 0.29420E-01 ppm1 1.851 ppm2 1.706 CV 1 ASSI { 4982} (( segid " " and resid -2 and name HG3 )) (( segid " " and resid -2 and name HB2 )) 2.900 1.100 1.100 peak 4982 spectrum 1 weight 0.10000E+01 volume 0.49118E-02 ppm1 1.848 ppm2 1.605 CV 1 ASSI { 4983} (( segid " " and resid -2 and name HG2 )) (( segid " " and resid -2 and name HD3 )) 3.000 1.100 1.100 peak 4983 spectrum 1 weight 0.10000E+01 volume 0.38623E-02 ppm1 1.701 ppm2 3.793 CV 1 ASSI { 4984} (( segid " " and resid -2 and name HG2 )) (( segid " " and resid -2 and name HD2 )) 2.300 0.700 0.700 peak 4984 spectrum 1 weight 0.10000E+01 volume 0.64384E-02 ppm1 1.704 ppm2 3.676 CV 1 ASSI { 4985} (( segid " " and resid -2 and name HG2 )) (( segid " " and resid -2 and name HA )) 4.300 2.300 1.700 peak 4985 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 1.704 ppm2 4.255 CV 1 ASSI { 4987} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 106 and name HA )) 4.200 2.200 1.800 peak 4987 spectrum 1 weight 0.10000E+01 volume 0.20886E-02 ppm1 1.458 ppm2 4.500 CV 1 ASSI { 4988} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 106 and name HE3 )) 2.900 1.000 1.000 peak 4988 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 1.457 ppm2 2.845 CV 1 ASSI { 4989} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 106 and name HE2 )) 2.600 0.800 0.800 peak 4989 spectrum 1 weight 0.10000E+01 volume 0.25693E-02 ppm1 1.460 ppm2 2.746 CV 1 ASSI { 4990} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 110 and name HB3 )) 4.000 2.000 2.000 peak 4990 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 1.464 ppm2 2.592 CV 1 ASSI { 4993} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB3 )) 2.900 1.000 1.000 peak 4993 spectrum 1 weight 0.10000E+01 volume 0.18415E-02 ppm1 4.495 ppm2 1.948 CV 1 ASSI { 4994} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB2 )) 3.000 1.100 1.100 peak 4994 spectrum 1 weight 0.10000E+01 volume 0.18313E-02 ppm1 4.501 ppm2 1.850 CV 1 ASSI { 4995} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HD3 )) 4.400 2.400 1.600 peak 4995 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 4.498 ppm2 1.540 CV 1 ASSI { 4997} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 106 and name H )) 5.000 3.100 1.000 peak 4997 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 1.545 ppm2 7.238 CV 1 ASSI { 4998} (( segid " " and resid 106 and name HE3 )) (( segid " " and resid 106 and name H )) 4.900 3.000 1.100 peak 4998 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 2.842 ppm2 7.250 CV 1 ASSI { 4999} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 106 and name HA )) 4.200 2.200 1.800 peak 4999 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 1.320 ppm2 4.505 CV 1 ASSI { 5001} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 107 and name H )) 3.800 1.800 1.800 peak 5001 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 1.542 ppm2 8.518 CV 1 ASSI { 5004} (( segid " " and resid 106 and name HE3 )) (( segid " " and resid 106 and name HA )) 4.500 2.600 1.500 peak 5004 spectrum 1 weight 0.10000E+01 volume 0.16587E-02 ppm1 2.843 ppm2 4.499 CV 1 ASSI { 5006} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 110 and name HB3 )) 2.500 2.500 3.500 peak 5006 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 1.549 ppm2 2.599 CV 1 ASSI { 5008} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HG3 )) 3.500 1.500 1.500 peak 5008 spectrum 1 weight 0.10000E+01 volume 0.20954E-02 ppm1 4.499 ppm2 1.181 CV 1 ASSI { 5009} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HG2 )) 2.900 1.100 1.100 peak 5009 spectrum 1 weight 0.10000E+01 volume 0.78874E-03 ppm1 1.947 ppm2 1.325 CV 1 ASSI { 5010} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 106 and name HD2 )) 1.600 0.300 0.600 peak 5010 spectrum 1 weight 0.10000E+01 volume 0.11831E-01 ppm1 1.547 ppm2 1.460 CV 1 ASSI { 5012} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 106 and name HG3 )) 2.700 0.900 0.900 peak 5012 spectrum 1 weight 0.10000E+01 volume 0.28671E-02 ppm1 1.550 ppm2 1.151 CV 1 ASSI { 5014} (( segid " " and resid 106 and name HE3 )) (( segid " " and resid 106 and name HG3 )) 3.200 1.300 1.300 peak 5014 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 2.843 ppm2 1.145 CV 1 ASSI { 5015} (( segid " " and resid 106 and name HE2 )) (( segid " " and resid 106 and name HG3 )) 3.200 1.300 1.300 peak 5015 spectrum 1 weight 0.10000E+01 volume 0.33682E-02 ppm1 2.750 ppm2 1.143 CV 1 ASSI { 5016} (( segid " " and resid 103 and name HA )) (( segid " " and resid 86 and name H )) 4.500 2.500 1.500 peak 5016 spectrum 1 weight 0.10000E+01 volume 0.67025E-03 ppm1 4.168 ppm2 9.321 CV 1 ASSI { 5017} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name H )) 2.600 0.800 0.800 peak 5017 spectrum 1 weight 0.10000E+01 volume 0.19261E-02 ppm1 4.176 ppm2 8.384 CV 1 ASSI { 5018} (( segid " " and resid 103 and name HA )) (( segid " " and resid 85 and name HA )) 2.700 0.900 0.900 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 4.187 ppm2 4.690 CV 1 ASSI { 5020} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) 3.200 1.300 1.300 peak 5020 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 4.175 ppm2 2.253 CV 1 ASSI { 5021} (( segid " " and resid 103 and name HA )) ( segid " " and resid 102 and name HG1%) 4.600 2.600 1.400 peak 5021 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 4.173 ppm2 0.732 CV 1 ASSI { 5022} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 108 and name HA )) 4.000 2.000 2.000 peak 5022 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 0.601 ppm2 3.479 CV 1 ASSI { 5023} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 179 and name HA )) 4.200 2.200 1.800 peak 5023 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 0.599 ppm2 4.579 CV 1 ASSI { 5024} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name H )) 2.900 1.100 1.100 peak 5024 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 4.437 ppm2 8.403 CV 1 ASSI { 5026} (( segid " " and resid 131 and name HA )) (( segid " " and resid 191 and name HA )) 2.800 1.000 1.000 peak 5026 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 4.439 ppm2 4.889 CV 1 ASSI { 5027} (( segid " " and resid 131 and name HA )) ( segid " " and resid 130 and name HG2%) 3.700 1.700 1.700 peak 5027 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 4.432 ppm2 0.476 CV 1 ASSI { 5028} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 46 and name HB2 )) 3.700 1.700 1.700 peak 5028 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 1.448 ppm2 2.331 CV 1 OR { 5028} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 46 and name HB2 )) ASSI { 5030} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 83 and name H )) 4.200 2.200 1.800 peak 5030 spectrum 1 weight 0.10000E+01 volume 0.15605E-02 ppm1 1.452 ppm2 8.427 CV 1 ASSI { 5031} (( segid " " and resid -2 and name HD2 )) (( segid " " and resid -1 and name H )) 2.200 2.200 3.800 peak 5031 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 3.676 ppm2 8.158 CV 1 ASSI { 5032} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 131 and name HB2 )) 2.600 0.800 0.800 peak 5032 spectrum 1 weight 0.10000E+01 volume 0.41197E-02 ppm1 0.827 ppm2 1.991 CV 1 ASSI { 5033} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 189 and name HB2 )) 2.500 0.800 0.800 peak 5033 spectrum 1 weight 0.10000E+01 volume 0.35170E-02 ppm1 0.832 ppm2 1.809 CV 1 ASSI { 5034} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 135 and name HG2 )) 3.700 1.700 1.700 peak 5034 spectrum 1 weight 0.10000E+01 volume 0.35679E-02 ppm1 0.826 ppm2 2.138 CV 1 OR { 5034} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 135 and name HG3 )) ASSI { 5035} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 131 and name HE )) 3.400 1.500 1.500 peak 5035 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 0.828 ppm2 9.035 CV 1 ASSI { 5037} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 129 and name HB3 )) 2.100 0.600 0.600 peak 5037 spectrum 1 weight 0.10000E+01 volume 0.41096E-02 ppm1 0.666 ppm2 1.472 CV 1 ASSI { 5038} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 108 and name HB )) 2.700 2.700 3.300 peak 5038 spectrum 1 weight 0.10000E+01 volume 0.68718E-03 ppm1 0.602 ppm2 2.317 CV 1 ASSI { 5039} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 183 and name HG2 )) 4.700 2.800 1.300 peak 5039 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 0.594 ppm2 2.222 CV 1 ASSI { 5040} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 183 and name HB3 )) 3.700 1.700 1.700 peak 5040 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 0.598 ppm2 2.049 CV 1 ASSI { 5041} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 183 and name HG3 )) 4.500 2.500 1.500 peak 5041 spectrum 1 weight 0.10000E+01 volume 0.64316E-03 ppm1 0.596 ppm2 2.579 CV 1 ASSI { 5042} ( segid " " and resid 180 and name HD1%) (( segid " " and resid 181 and name HB2 )) 2.600 2.600 3.400 peak 5042 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 0.739 ppm2 2.102 CV 1 ASSI { 5043} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HA )) 4.300 2.300 1.700 peak 5043 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 0.828 ppm2 4.867 CV 1 ASSI { 5044} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 103 and name HB2 )) 4.100 2.100 1.900 peak 5044 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 1.140 ppm2 2.253 CV 1 ASSI { 5045} (( segid " " and resid 132 and name HA )) ( segid " " and resid 130 and name HG2%) 3.800 1.800 1.800 peak 5045 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 4.115 ppm2 0.477 CV 1 ASSI { 5050} (( segid " " and resid 63 and name HA )) ( segid " " and resid 25 and name HG1%) 3.200 1.300 1.300 peak 5050 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 4.244 ppm2 0.740 CV 1 ASSI { 5051} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 86 and name HG3 )) 3.000 1.100 1.100 peak 5051 spectrum 1 weight 0.10000E+01 volume 0.77520E-03 ppm1 2.629 ppm2 1.489 CV 1 OR { 5051} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 86 and name HG2 )) ASSI { 5052} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HB3 )) 2.500 0.800 0.800 peak 5052 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 2.621 ppm2 2.482 CV 1 ASSI { 5054} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) 3.200 1.300 1.300 peak 5054 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 2.624 ppm2 4.250 CV 1 ASSI { 5055} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 104 and name HA )) 4.100 2.100 1.900 peak 5055 spectrum 1 weight 0.10000E+01 volume 0.59915E-03 ppm1 2.506 ppm2 4.245 CV 1 ASSI { 5056} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name H )) 3.300 1.400 1.400 peak 5056 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 2.619 ppm2 8.389 CV 1 ASSI { 5058} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 61 and name HD1 )) 4.300 2.300 1.700 peak 5058 spectrum 1 weight 0.10000E+01 volume 0.61947E-03 ppm1 1.037 ppm2 7.289 CV 1 OR { 5058} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 61 and name HD1 )) ASSI { 5060} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HD2 )) 3.800 1.800 1.800 peak 5060 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 1.373 ppm2 2.989 CV 1 ASSI { 5061} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HD21)) 4.400 2.400 1.600 peak 5061 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 4.636 ppm2 7.495 CV 1 ASSI { 5062} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 93 and name H )) 3.700 1.700 1.700 peak 5062 spectrum 1 weight 0.10000E+01 volume 0.32599E-02 ppm1 1.908 ppm2 8.495 CV 1 ASSI { 5063} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 94 and name H )) 4.100 2.100 1.900 peak 5063 spectrum 1 weight 0.10000E+01 volume 0.25591E-02 ppm1 1.910 ppm2 7.681 CV 1 ASSI { 5064} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 92 and name H )) 2.500 0.800 0.800 peak 5064 spectrum 1 weight 0.10000E+01 volume 0.27554E-02 ppm1 1.908 ppm2 8.934 CV 1 ASSI { 5065} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name H )) 2.900 1.100 1.100 peak 5065 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 1.909 ppm2 9.142 CV 1 ASSI { 5066} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 90 and name H )) 3.400 1.400 1.400 peak 5066 spectrum 1 weight 0.10000E+01 volume 0.20006E-02 ppm1 1.909 ppm2 8.810 CV 1 ASSI { 5067} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 92 and name HA )) 2.600 0.800 0.800 peak 5067 spectrum 1 weight 0.10000E+01 volume 0.58021E-02 ppm1 1.909 ppm2 4.576 CV 1 ASSI { 5069} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 90 and name HA )) 4.100 2.100 1.900 peak 5069 spectrum 1 weight 0.10000E+01 volume 0.93768E-03 ppm1 1.909 ppm2 5.035 CV 1 ASSI { 5070} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 96 and name HB )) 3.400 1.400 1.400 peak 5070 spectrum 1 weight 0.10000E+01 volume 0.20683E-02 ppm1 1.909 ppm2 4.084 CV 1 ASSI { 5071} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HE3 )) 3.900 1.900 1.900 peak 5071 spectrum 1 weight 0.10000E+01 volume 0.41502E-02 ppm1 1.909 ppm2 2.879 CV 1 OR { 5071} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HE2 )) ASSI { 5072} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 92 and name HG3 )) 2.500 0.800 0.800 peak 5072 spectrum 1 weight 0.10000E+01 volume 0.77993E-02 ppm1 1.907 ppm2 2.580 CV 1 ASSI { 5073} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 92 and name HG2 )) 2.400 0.700 0.700 peak 5073 spectrum 1 weight 0.10000E+01 volume 0.82190E-02 ppm1 1.906 ppm2 2.461 CV 1 OR { 5073} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 92 and name HB2 )) ASSI { 5074} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 92 and name HB3 )) 3.100 1.200 1.200 peak 5074 spectrum 1 weight 0.10000E+01 volume 0.63471E-02 ppm1 1.908 ppm2 2.252 CV 1 ASSI { 5075} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 90 and name HB )) 2.000 0.500 0.500 peak 5075 spectrum 1 weight 0.10000E+01 volume 0.10470E-01 ppm1 1.910 ppm2 1.645 CV 1 ASSI { 5076} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HD3 )) 2.900 1.000 1.000 peak 5076 spectrum 1 weight 0.10000E+01 volume 0.79551E-02 ppm1 1.908 ppm2 1.580 CV 1 OR { 5076} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HD2 )) ASSI { 5077} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HB3 )) 2.900 1.100 1.100 peak 5077 spectrum 1 weight 0.10000E+01 volume 0.81851E-02 ppm1 1.906 ppm2 1.510 CV 1 ASSI { 5078} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HG2 )) 2.000 0.500 0.500 peak 5078 spectrum 1 weight 0.10000E+01 volume 0.95360E-02 ppm1 1.906 ppm2 1.314 CV 1 OR { 5078} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HG3 )) ASSI { 5079} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 98 and name HG2 )) 1.900 0.400 0.400 peak 5079 spectrum 1 weight 0.10000E+01 volume 0.89198E-02 ppm1 1.907 ppm2 1.254 CV 1 ASSI { 5080} ( segid " " and resid 92 and name HE% ) ( segid " " and resid 96 and name HG2%) 2.900 1.000 1.000 peak 5080 spectrum 1 weight 0.10000E+01 volume 0.59543E-02 ppm1 1.906 ppm2 1.068 CV 1 ASSI { 5082} ( segid " " and resid 92 and name HE% ) ( segid " " and resid 90 and name HG2%) 1.800 0.400 0.400 peak 5082 spectrum 1 weight 0.10000E+01 volume 0.39796E-01 ppm1 1.908 ppm2 0.630 CV 1 ASSI { 5083} ( segid " " and resid 92 and name HE% ) ( segid " " and resid 121 and name HD1%) 3.100 3.100 2.900 peak 5083 spectrum 1 weight 0.10000E+01 volume 0.62084E-02 ppm1 1.909 ppm2 0.286 CV 1 ASSI { 5084} ( segid " " and resid 28 and name HB% ) ( segid " " and resid 19 and name HD% ) 2.800 1.000 1.000 peak 5084 spectrum 1 weight 0.10000E+01 volume 0.31855E-02 ppm1 1.013 ppm2 7.068 CV 1 ASSI { 5085} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 133 and name HB2 )) 3.500 1.600 1.600 peak 5085 spectrum 1 weight 0.10000E+01 volume 0.75861E-02 ppm1 1.993 ppm2 1.594 CV 1 ASSI { 5086} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 134 and name HG2 )) 3.000 1.200 1.200 peak 5086 spectrum 1 weight 0.10000E+01 volume 0.11245E-01 ppm1 1.999 ppm2 2.403 CV 1 ASSI { 5087} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 134 and name HG3 )) 2.100 0.600 0.600 peak 5087 spectrum 1 weight 0.10000E+01 volume 0.13757E-01 ppm1 1.995 ppm2 2.561 CV 1 ASSI { 5088} ( segid " " and resid 134 and name HE% ) (( segid " " and resid 135 and name HA )) 3.000 1.100 1.100 peak 5088 spectrum 1 weight 0.10000E+01 volume 0.27283E-02 ppm1 1.999 ppm2 4.129 CV 1 ASSI { 5089} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 35 and name H )) 3.900 1.900 1.900 peak 5089 spectrum 1 weight 0.10000E+01 volume 0.30906E-02 ppm1 1.683 ppm2 7.521 CV 1 ASSI { 5090} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 51 and name HA )) 4.400 2.400 1.600 peak 5090 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 1.470 ppm2 4.423 CV 1 ASSI { 5092} (( segid " " and resid 196 and name HA )) (( segid " " and resid 127 and name HA )) 4.700 2.800 1.300 peak 5092 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 3.765 ppm2 4.725 CV 1 ASSI { 5093} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 79 and name HE% ) 4.200 2.200 1.800 peak 5093 spectrum 1 weight 0.10000E+01 volume 0.62285E-03 ppm1 2.290 ppm2 1.468 CV 1 ASSI { 5101} (( segid " " and resid -1 and name HB2 )) ( segid " " and resid -1 and name HD% ) 2.500 0.800 0.800 peak 5101 spectrum 1 weight 0.10000E+01 volume 0.71560E-02 ppm1 3.106 ppm2 7.215 CV 1 ASSI { 5102} (( segid " " and resid -1 and name HB3 )) ( segid " " and resid -1 and name HD% ) 2.500 0.800 0.800 peak 5102 spectrum 1 weight 0.10000E+01 volume 0.69227E-02 ppm1 2.986 ppm2 7.216 CV 1 ASSI { 5103} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 67 and name H )) 2.100 0.600 0.600 peak 5103 spectrum 1 weight 0.10000E+01 volume 0.56158E-02 ppm1 3.107 ppm2 8.158 CV 1 ASSI { 5109} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HG2 )) 3.400 1.400 1.400 peak 5109 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 3.033 ppm2 1.151 CV 1 OR { 5109} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HG3 )) OR { 5109} (( segid " " and resid 33 and name HD3 )) (( segid " " and resid 33 and name HG2 )) OR { 5109} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HG3 )) ASSI { 5112} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HA )) 3.600 1.600 1.600 peak 5112 spectrum 1 weight 0.10000E+01 volume 0.73119E-03 ppm1 1.172 ppm2 3.557 CV 1 OR { 5112} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HA )) ASSI { 5113} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HB2 )) 3.000 1.200 1.200 peak 5113 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 1.159 ppm2 1.708 CV 1 OR { 5113} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HB3 )) OR { 5113} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HB2 )) OR { 5113} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HB3 )) ASSI { 5115} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 46 and name HA )) 4.600 2.700 1.400 peak 5115 spectrum 1 weight 0.10000E+01 volume 0.62962E-03 ppm1 1.982 ppm2 4.481 CV 1 ASSI { 5116} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 5116 spectrum 1 weight 0.10000E+01 volume 0.23290E-02 ppm1 1.981 ppm2 4.703 CV 1 ASSI { 5117} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HD3 )) 3.900 1.900 1.900 peak 5117 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 1.983 ppm2 3.667 CV 1 OR { 5117} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HD2 )) ASSI { 5118} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 44 and name HD2 )) 4.100 2.100 1.900 peak 5118 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 1.981 ppm2 3.780 CV 1 ASSI { 5119} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB3 )) 1.900 0.500 0.500 peak 5119 spectrum 1 weight 0.10000E+01 volume 0.59915E-02 ppm1 1.980 ppm2 2.326 CV 1 ASSI { 5121} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 5121 spectrum 1 weight 0.10000E+01 volume 0.32160E-02 ppm1 2.325 ppm2 4.706 CV 1 ASSI { 5122} (( segid " " and resid 58 and name HE2 )) (( segid " " and resid 58 and name HG3 )) 2.500 0.800 0.800 peak 5122 spectrum 1 weight 0.10000E+01 volume 0.76639E-02 ppm1 2.924 ppm2 1.193 CV 1 OR { 5122} (( segid " " and resid 58 and name HE3 )) (( segid " " and resid 58 and name HG3 )) ASSI { 5125} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 61 and name HH2 )) 4.600 2.600 1.400 peak 5125 spectrum 1 weight 0.10000E+01 volume 0.84965E-03 ppm1 1.464 ppm2 6.485 CV 1 ASSI { 5126} (( segid " " and resid 87 and name HD2 )) (( segid " " and resid 87 and name HA )) 4.100 2.100 1.900 peak 5126 spectrum 1 weight 0.10000E+01 volume 0.72103E-03 ppm1 3.641 ppm2 4.651 CV 1 ASSI { 5127} (( segid " " and resid 88 and name HG )) (( segid " " and resid 88 and name HA )) 3.400 1.400 1.400 peak 5127 spectrum 1 weight 0.10000E+01 volume 0.68379E-03 ppm1 1.298 ppm2 4.628 CV 1 ASSI { 5128} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 90 and name H )) 4.200 2.200 1.800 peak 5128 spectrum 1 weight 0.10000E+01 volume 0.64994E-03 ppm1 1.816 ppm2 8.810 CV 1 OR { 5128} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 90 and name H )) ASSI { 5129} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name H )) 3.300 1.300 1.300 peak 5129 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 1.811 ppm2 8.484 CV 1 OR { 5129} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name H )) ASSI { 5133} (( segid " " and resid 89 and name HD3 )) (( segid " " and resid 89 and name HA )) 3.200 1.300 1.300 peak 5133 spectrum 1 weight 0.10000E+01 volume 0.15233E-02 ppm1 1.506 ppm2 4.623 CV 1 ASSI { 5136} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name H )) 3.000 1.100 1.100 peak 5136 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 1.282 ppm2 9.146 CV 1 ASSI { 5139} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name H )) 3.100 1.200 1.200 peak 5139 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 1.516 ppm2 9.138 CV 1 ASSI { 5140} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name H )) 3.600 1.700 1.700 peak 5140 spectrum 1 weight 0.10000E+01 volume 0.14082E-02 ppm1 1.642 ppm2 9.140 CV 1 ASSI { 5142} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name H )) 2.800 1.000 1.000 peak 5142 spectrum 1 weight 0.10000E+01 volume 0.23086E-02 ppm1 4.606 ppm2 9.136 CV 1 ASSI { 5145} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 99 and name HA )) 3.900 1.900 1.900 peak 5145 spectrum 1 weight 0.10000E+01 volume 0.96476E-03 ppm1 1.636 ppm2 4.901 CV 1 ASSI { 5146} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 97 and name HA )) 3.800 1.800 1.800 peak 5146 spectrum 1 weight 0.10000E+01 volume 0.90721E-03 ppm1 1.500 ppm2 4.863 CV 1 ASSI { 5147} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 99 and name H )) 3.300 1.400 1.400 peak 5147 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 1.319 ppm2 8.420 CV 1 ASSI { 5148} (( segid " " and resid 112 and name HG )) (( segid " " and resid 112 and name H )) 4.200 2.200 1.800 peak 5148 spectrum 1 weight 0.10000E+01 volume 0.18313E-02 ppm1 1.499 ppm2 8.745 CV 1 ASSI { 5149} (( segid " " and resid 112 and name HG )) (( segid " " and resid 113 and name H )) 4.400 2.500 1.600 peak 5149 spectrum 1 weight 0.10000E+01 volume 0.70749E-03 ppm1 1.506 ppm2 7.631 CV 1 ASSI { 5150} (( segid " " and resid 112 and name HG )) (( segid " " and resid 112 and name HA )) 3.000 1.100 1.100 peak 5150 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 1.498 ppm2 3.834 CV 1 ASSI { 5151} (( segid " " and resid 112 and name HG )) (( segid " " and resid 112 and name HB3 )) 2.500 0.800 0.800 peak 5151 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 1.505 ppm2 1.777 CV 1 ASSI { 5152} (( segid " " and resid 112 and name HG )) ( segid " " and resid 112 and name HD1%) 2.300 0.700 0.700 peak 5152 spectrum 1 weight 0.10000E+01 volume 0.58155E-02 ppm1 1.501 ppm2 0.742 CV 1 ASSI { 5153} (( segid " " and resid 112 and name HG )) ( segid " " and resid 112 and name HD2%) 2.300 0.700 0.700 peak 5153 spectrum 1 weight 0.10000E+01 volume 0.56532E-02 ppm1 1.501 ppm2 0.681 CV 1 ASSI { 5154} (( segid " " and resid 112 and name HG )) ( segid " " and resid 108 and name HG1%) 5.000 3.100 1.000 peak 5154 spectrum 1 weight 0.10000E+01 volume 0.93768E-03 ppm1 1.489 ppm2 0.496 CV 1 ASSI { 5156} (( segid " " and resid 124 and name HA )) ( segid " " and resid 127 and name HE% ) 4.100 2.100 1.900 peak 5156 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 4.385 ppm2 6.642 CV 1 ASSI { 5157} (( segid " " and resid 124 and name HA )) ( segid " " and resid 127 and name HD% ) 2.800 1.000 1.000 peak 5157 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 4.380 ppm2 6.864 CV 1 ASSI { 5160} (( segid " " and resid 126 and name HG3 )) ( segid " " and resid 199 and name HD% ) 4.900 3.000 1.100 peak 5160 spectrum 1 weight 0.10000E+01 volume 0.64994E-03 ppm1 2.128 ppm2 6.972 CV 1 ASSI { 5162} (( segid " " and resid 131 and name HB3 )) (( segid " " and resid 131 and name HD2 )) 3.900 1.900 1.900 peak 5162 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 1.549 ppm2 2.952 CV 1 ASSI { 5163} (( segid " " and resid 100 and name HG13)) (( segid " " and resid 101 and name HB2 )) 5.100 3.200 0.900 peak 5163 spectrum 1 weight 0.10000E+01 volume 0.76504E-03 ppm1 1.069 ppm2 1.908 CV 1 ASSI { 5166} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HG3 )) 3.900 1.900 1.900 peak 5166 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 4.871 ppm2 2.520 CV 1 ASSI { 5170} ( segid " " and resid 101 and name HE% ) ( segid " " and resid 88 and name HD1%) 3.900 1.900 1.900 peak 5170 spectrum 1 weight 0.10000E+01 volume 0.20920E-02 ppm1 1.752 ppm2 0.690 CV 1 ASSI { 5171} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 85 and name HE21)) 2.600 2.600 3.400 peak 5171 spectrum 1 weight 0.10000E+01 volume 0.75150E-03 ppm1 0.736 ppm2 6.445 CV 1 ASSI { 5179} (( segid " " and resid 38 and name HA )) ( segid " " and resid 10 and name HG2%) 4.100 2.100 1.900 peak 5179 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 3.925 ppm2 0.899 CV 1 ASSI { 5180} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 46 and name H )) 3.700 1.700 1.700 peak 5180 spectrum 1 weight 0.10000E+01 volume 0.70749E-03 ppm1 1.997 ppm2 7.852 CV 1 ASSI { 5181} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 62 and name HD2%) 5.300 3.500 0.700 peak 5181 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 2.398 ppm2 -0.161 CV 1 ASSI { 5185} (( segid " " and resid 61 and name HA )) ( segid " " and resid 50 and name HD% ) 3.400 1.400 1.400 peak 5185 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 4.878 ppm2 5.504 CV 1 ASSI { 5187} (( segid " " and resid 181 and name HD3 )) ( segid " " and resid 50 and name HE% ) 3.600 1.600 1.600 peak 5187 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 3.201 ppm2 6.511 CV 1 ASSI { 5188} (( segid " " and resid 61 and name HA )) ( segid " " and resid 50 and name HE% ) 4.300 2.300 1.700 peak 5188 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 4.892 ppm2 6.498 CV 1 ASSI { 5189} (( segid " " and resid 197 and name HB3 )) ( segid " " and resid 197 and name HE% ) 4.500 2.500 1.500 peak 5189 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 2.688 ppm2 7.105 CV 1 ASSI { 5192} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 47 and name HD% ) 4.900 3.000 1.100 peak 5192 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 0.685 ppm2 6.720 CV 1 ASSI { 5193} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 27 and name H )) 4.600 2.600 1.400 peak 5193 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 2.608 ppm2 6.713 CV 1 ASSI { 5194} (( segid " " and resid 197 and name HB3 )) ( segid " " and resid 199 and name HE% ) 4.300 2.300 1.700 peak 5194 spectrum 1 weight 0.10000E+01 volume 0.82257E-03 ppm1 2.677 ppm2 6.610 CV 1 ASSI { 5197} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 194 and name HE )) 3.200 1.300 1.300 peak 5197 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 3.014 ppm2 7.331 CV 1 ASSI { 5199} (( segid " " and resid 111 and name HA )) ( segid " " and resid 102 and name HG1%) 2.700 0.900 0.900 peak 5199 spectrum 1 weight 0.10000E+01 volume 0.22172E-02 ppm1 4.011 ppm2 0.737 CV 1 ASSI { 5200} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 108 and name HA )) 4.400 2.400 1.600 peak 5200 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 2.580 ppm2 3.450 CV 1 ASSI { 5201} ( segid " " and resid 112 and name HD1%) ( segid " " and resid 127 and name HE% ) 4.500 2.600 1.500 peak 5201 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 0.747 ppm2 6.647 CV 1 ASSI { 5202} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 127 and name H )) 3.500 1.500 1.500 peak 5202 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 0.684 ppm2 7.831 CV 1 ASSI { 5203} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 32 and name HA )) 2.400 2.400 3.600 peak 5203 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 1.111 ppm2 3.235 CV 1 ASSI { 5204} ( segid " " and resid 39 and name HB% ) (( segid " " and resid 81 and name HB2 )) 3.600 1.600 1.600 peak 5204 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 1.108 ppm2 2.431 CV 1 ASSI { 5205} (( segid " " and resid 55 and name HA )) (( segid " " and resid 54 and name HA )) 3.700 1.700 1.700 peak 5205 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 4.935 ppm2 4.149 CV 1 ASSI { 5206} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name HB3 )) 4.600 2.600 1.400 peak 5206 spectrum 1 weight 0.10000E+01 volume 0.94106E-03 ppm1 0.229 ppm2 3.552 CV 1 ASSI { 5207} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 129 and name H )) 4.100 2.100 1.900 peak 5207 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 0.232 ppm2 8.881 CV 1 ASSI { 5208} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HE3 )) 4.700 2.800 1.300 peak 5208 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.519 ppm2 2.875 CV 1 ASSI { 5209} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HE3 )) 4.600 2.600 1.400 peak 5209 spectrum 1 weight 0.10000E+01 volume 0.11611E-02 ppm1 4.603 ppm2 2.883 CV 1 ASSI { 5210} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 92 and name HE% ) 4.900 3.100 1.100 peak 5210 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 1.641 ppm2 1.904 CV 1 ASSI { 5212} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB2 )) 2.400 0.700 0.700 peak 5212 spectrum 1 weight 0.10000E+01 volume 0.44143E-02 ppm1 4.605 ppm2 1.632 CV 1 ASSI { 5213} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB3 )) 2.700 0.900 0.900 peak 5213 spectrum 1 weight 0.10000E+01 volume 0.29790E-02 ppm1 4.604 ppm2 1.536 CV 1 ASSI { 5214} (( segid " " and resid 98 and name HB3 )) ( segid " " and resid 96 and name HG2%) 3.100 1.200 1.200 peak 5214 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 1.515 ppm2 1.072 CV 1 ASSI { 5215} (( segid " " and resid 88 and name HA )) ( segid " " and resid 99 and name HG2%) 3.600 1.600 1.600 peak 5215 spectrum 1 weight 0.10000E+01 volume 0.14691E-02 ppm1 4.612 ppm2 0.913 CV 1 ASSI { 5216} (( segid " " and resid 98 and name HA )) (( segid " " and resid 99 and name HA )) 3.800 1.800 1.800 peak 5216 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 4.612 ppm2 4.942 CV 1 ASSI { 5217} (( segid " " and resid 98 and name HA )) (( segid " " and resid 97 and name HA )) 3.900 1.900 1.900 peak 5217 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 4.613 ppm2 4.885 CV 1 ASSI { 5218} (( segid " " and resid 102 and name HB )) ( segid " " and resid 114 and name HG2%) 5.100 3.200 0.900 peak 5218 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 1.968 ppm2 1.165 CV 1 ASSI { 5219} ( segid " " and resid 102 and name HG2%) ( segid " " and resid 114 and name HG2%) 3.300 1.400 1.400 peak 5219 spectrum 1 weight 0.10000E+01 volume 0.22477E-02 ppm1 0.729 ppm2 1.161 CV 1 ASSI { 5220} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HD2%) 2.700 0.900 0.900 peak 5220 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 1.692 ppm2 0.735 CV 1 ASSI { 5222} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 86 and name HE )) 4.000 2.000 2.000 peak 5222 spectrum 1 weight 0.10000E+01 volume 0.64655E-03 ppm1 2.052 ppm2 7.397 CV 1 ASSI { 5223} (( segid " " and resid 8 and name HB )) (( segid " " and resid 19 and name HZ )) 5.000 3.100 1.000 peak 5223 spectrum 1 weight 0.10000E+01 volume 0.62962E-03 ppm1 2.047 ppm2 6.987 CV 1 ASSI { 5227} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 36 and name HG13)) 1.900 0.500 0.500 peak 5227 spectrum 1 weight 0.10000E+01 volume 0.33682E-02 ppm1 0.903 ppm2 1.483 CV 1 ASSI { 5232} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HB3 )) 3.200 1.300 1.300 peak 5232 spectrum 1 weight 0.10000E+01 volume 0.15978E-02 ppm1 1.139 ppm2 1.946 CV 1 ASSI { 5236} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 5236 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 1.316 ppm2 2.247 CV 1 ASSI { 5237} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 106 and name HG3 )) 1.900 0.400 0.400 peak 5237 spectrum 1 weight 0.10000E+01 volume 0.39843E-02 ppm1 1.324 ppm2 1.141 CV 1 ASSI { 5239} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 25 and name HG2%) 3.800 1.800 1.800 peak 5239 spectrum 1 weight 0.10000E+01 volume 0.21597E-02 ppm1 2.056 ppm2 0.996 CV 1 ASSI { 5240} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 25 and name HG2%) 3.800 1.900 1.900 peak 5240 spectrum 1 weight 0.10000E+01 volume 0.20006E-02 ppm1 1.925 ppm2 0.995 CV 1 ASSI { 5241} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 66 and name HD3 )) 4.700 2.700 1.300 peak 5241 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 2.054 ppm2 0.862 CV 1 ASSI { 5242} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 66 and name HD3 )) 4.300 2.300 1.700 peak 5242 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 1.938 ppm2 0.865 CV 1 ASSI { 5243} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 25 and name HG1%) 5.000 3.100 1.000 peak 5243 spectrum 1 weight 0.10000E+01 volume 0.63301E-03 ppm1 2.052 ppm2 0.747 CV 1 ASSI { 5245} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 98 and name HE2 )) 2.900 1.100 1.100 peak 5245 spectrum 1 weight 0.10000E+01 volume 0.88012E-03 ppm1 1.900 ppm2 2.904 CV 1 OR { 5245} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 98 and name HE3 )) ASSI { 5246} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 183 and name HA )) 3.600 1.600 1.600 peak 5246 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 2.205 ppm2 4.489 CV 1 ASSI { 5247} (( segid " " and resid 187 and name HG2 )) (( segid " " and resid 86 and name HD3 )) 2.600 2.600 3.400 peak 5247 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 2.054 ppm2 2.908 CV 1 ASSI { 5248} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name H )) 4.300 2.300 1.700 peak 5248 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 1.575 ppm2 9.146 CV 1 OR { 5248} (( segid " " and resid 98 and name HD3 )) (( segid " " and resid 98 and name H )) ASSI { 5252} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 23 and name H )) 3.700 1.700 1.700 peak 5252 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 0.322 ppm2 7.719 CV 1 ASSI { 5253} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 36 and name HB )) 3.400 1.400 1.400 peak 5253 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 0.899 ppm2 1.872 CV 1 ASSI { 5254} (( segid " " and resid 36 and name HG12)) ( segid " " and resid 36 and name HD1%) 2.400 0.700 0.700 peak 5254 spectrum 1 weight 0.10000E+01 volume 0.36863E-02 ppm1 0.902 ppm2 0.668 CV 1 ASSI { 5255} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 36 and name H )) 3.900 1.900 1.900 peak 5255 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 0.899 ppm2 7.971 CV 1 ASSI { 5256} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 173 and name HH2 )) 4.600 2.600 1.400 peak 5256 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 3.016 ppm2 6.834 CV 1 ASSI { 5258} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 194 and name HA )) 2.200 0.600 0.600 peak 5258 spectrum 1 weight 0.10000E+01 volume 0.39910E-02 ppm1 3.012 ppm2 4.712 CV 1 ASSI { 5260} (( segid " " and resid 119 and name HG12)) (( segid " " and resid 116 and name HA )) 2.800 1.000 1.000 peak 5260 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 1.232 ppm2 3.748 CV 1 ASSI { 5261} (( segid " " and resid 119 and name HG12)) (( segid " " and resid 119 and name HA )) 4.100 2.100 1.900 peak 5261 spectrum 1 weight 0.10000E+01 volume 0.85981E-03 ppm1 1.250 ppm2 4.321 CV 1 OR { 5261} (( segid " " and resid 119 and name HG13)) (( segid " " and resid 119 and name HA )) ASSI { 5263} (( segid " " and resid 185 and name HA )) (( segid " " and resid 185 and name HB )) 3.200 1.200 1.200 peak 5263 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 3.843 ppm2 1.684 CV 1 ASSI { 5264} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 119 and name HB )) 1.900 0.500 0.500 peak 5264 spectrum 1 weight 0.10000E+01 volume 0.18591E-01 ppm1 0.766 ppm2 1.953 CV 1 ASSI { 5265} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HB )) 2.100 0.600 0.600 peak 5265 spectrum 1 weight 0.10000E+01 volume 0.67973E-02 ppm1 0.741 ppm2 2.076 CV 1 ASSI { 5266} ( segid " " and resid -4 and name HD1%) (( segid " " and resid -4 and name HB )) 2.500 0.800 0.800 peak 5266 spectrum 1 weight 0.10000E+01 volume 0.10914E-01 ppm1 0.788 ppm2 1.724 CV 1 ASSI { 5267} ( segid " " and resid -4 and name HD1%) (( segid " " and resid -4 and name HA )) 3.100 1.200 1.200 peak 5267 spectrum 1 weight 0.10000E+01 volume 0.50844E-02 ppm1 0.786 ppm2 4.119 CV 1 ASSI { 5268} ( segid " " and resid 119 and name HG2%) (( segid " " and resid 116 and name HA )) 4.500 2.500 1.500 peak 5268 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 0.771 ppm2 3.755 CV 1 ASSI { 5269} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 115 and name HB )) 2.200 2.200 3.800 peak 5269 spectrum 1 weight 0.10000E+01 volume 0.20581E-02 ppm1 0.592 ppm2 1.754 CV 1 ASSI { 5270} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 179 and name HB )) 3.100 1.200 1.200 peak 5270 spectrum 1 weight 0.10000E+01 volume 0.31211E-02 ppm1 1.208 ppm2 4.701 CV 1 ASSI { 5271} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 127 and name HB2 )) 3.500 1.500 1.500 peak 5271 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 0.574 ppm2 2.789 CV 1 OR { 5271} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 127 and name HB3 )) ASSI { 5272} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 19 and name HB3 )) 2.900 1.100 1.100 peak 5272 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 0.327 ppm2 2.931 CV 1 ASSI { 5273} (( segid " " and resid 194 and name HG3 )) (( segid " " and resid 173 and name HH2 )) 3.100 1.200 1.200 peak 5273 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 1.436 ppm2 6.840 CV 1 OR { 5273} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 173 and name HH2 )) ASSI { 5274} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 130 and name H )) 3.400 1.400 1.400 peak 5274 spectrum 1 weight 0.10000E+01 volume 0.18889E-02 ppm1 1.439 ppm2 8.790 CV 1 ASSI { 5275} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 83 and name H )) 4.600 2.700 1.400 peak 5275 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 1.447 ppm2 8.400 CV 1 ASSI { 5276} (( segid " " and resid 8 and name HG13)) (( segid " " and resid 8 and name H )) 4.100 2.100 1.900 peak 5276 spectrum 1 weight 0.10000E+01 volume 0.12017E-02 ppm1 1.645 ppm2 9.037 CV 1 ASSI { 5278} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 180 and name HA )) 3.900 1.900 1.900 peak 5278 spectrum 1 weight 0.10000E+01 volume 0.19160E-02 ppm1 0.679 ppm2 3.835 CV 1 ASSI { 5280} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 53 and name HB2 )) 3.700 1.700 1.700 peak 5280 spectrum 1 weight 0.10000E+01 volume 0.15402E-02 ppm1 1.703 ppm2 2.123 CV 1 ASSI { 5282} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 61 and name HH2 )) 4.400 2.400 1.600 peak 5282 spectrum 1 weight 0.10000E+01 volume 0.46715E-03 ppm1 1.461 ppm2 6.492 CV 1 ASSI { 5285} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 9 and name H )) 4.200 2.200 1.800 peak 5285 spectrum 1 weight 0.10000E+01 volume 0.69733E-03 ppm1 1.989 ppm2 8.858 CV 1 ASSI { 5287} (( segid " " and resid 131 and name HD3 )) ( segid " " and resid 108 and name HG2%) 5.300 3.500 0.700 peak 5287 spectrum 1 weight 0.10000E+01 volume 0.61608E-03 ppm1 3.059 ppm2 0.933 CV 1 ASSI { 5288} (( segid " " and resid 131 and name HB3 )) (( segid " " and resid 131 and name HD3 )) 3.100 1.200 1.200 peak 5288 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 1.539 ppm2 3.077 CV 1 ASSI { 5289} (( segid " " and resid 131 and name HD2 )) (( segid " " and resid 131 and name HA )) 4.700 2.800 1.300 peak 5289 spectrum 1 weight 0.10000E+01 volume 0.59238E-03 ppm1 2.950 ppm2 4.433 CV 1 ASSI { 5292} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 91 and name HH22)) 3.400 1.400 1.400 peak 5292 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 0.930 ppm2 6.799 CV 1 ASSI { 5293} (( segid " " and resid 190 and name HB )) (( segid " " and resid 190 and name HA )) 3.500 1.500 1.500 peak 5293 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 3.895 ppm2 4.554 CV 1 ASSI { 5296} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 182 and name HG2 )) 3.000 1.100 1.100 peak 5296 spectrum 1 weight 0.10000E+01 volume 0.20040E-02 ppm1 3.045 ppm2 2.580 CV 1 ASSI { 5297} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 182 and name HG2 )) 3.100 1.200 1.200 peak 5297 spectrum 1 weight 0.10000E+01 volume 0.24237E-02 ppm1 3.085 ppm2 2.567 CV 1 ASSI { 5298} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 182 and name HG3 )) 3.700 1.700 1.700 peak 5298 spectrum 1 weight 0.10000E+01 volume 0.14522E-02 ppm1 3.084 ppm2 2.222 CV 1 ASSI { 5299} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 182 and name HG3 )) 3.100 1.200 1.200 peak 5299 spectrum 1 weight 0.10000E+01 volume 0.17196E-02 ppm1 3.047 ppm2 2.225 CV 1 ASSI { 5300} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 178 and name HG2 )) 2.700 0.900 0.900 peak 5300 spectrum 1 weight 0.10000E+01 volume 0.45970E-02 ppm1 3.087 ppm2 1.624 CV 1 ASSI { 5301} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 178 and name HG2 )) 2.500 0.800 0.800 peak 5301 spectrum 1 weight 0.10000E+01 volume 0.43905E-02 ppm1 3.046 ppm2 1.623 CV 1 ASSI { 5302} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 178 and name HG3 )) 2.400 0.700 0.700 peak 5302 spectrum 1 weight 0.10000E+01 volume 0.55178E-02 ppm1 3.086 ppm2 1.531 CV 1 ASSI { 5303} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 178 and name HG3 )) 2.500 0.800 0.800 peak 5303 spectrum 1 weight 0.10000E+01 volume 0.47221E-02 ppm1 3.045 ppm2 1.532 CV 1 ASSI { 5304} (( segid " " and resid 178 and name HD3 )) ( segid " " and resid 179 and name HG2%) 4.300 2.300 1.700 peak 5304 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 3.084 ppm2 1.184 CV 1 ASSI { 5305} (( segid " " and resid 178 and name HD2 )) ( segid " " and resid 179 and name HG2%) 4.400 2.400 1.600 peak 5305 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 3.047 ppm2 1.194 CV 1 ASSI { 5308} ( segid " " and resid 190 and name HG2%) ( segid " " and resid 192 and name HD2%) 2.300 0.700 0.700 peak 5308 spectrum 1 weight 0.10000E+01 volume 0.89434E-02 ppm1 0.926 ppm2 0.695 CV 1 ASSI { 5309} (( segid " " and resid 190 and name HA )) (( segid " " and resid 89 and name HG3 )) 2.400 2.400 3.600 peak 5309 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 4.563 ppm2 1.354 CV 1 ASSI { 5310} (( segid " " and resid 190 and name HA )) (( segid " " and resid 191 and name HB2 )) 4.400 2.400 1.600 peak 5310 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 4.560 ppm2 1.619 CV 1 OR { 5310} (( segid " " and resid 190 and name HA )) (( segid " " and resid 191 and name HG )) ASSI { 5311} (( segid " " and resid 190 and name HA )) (( segid " " and resid 89 and name HB2 )) 3.300 1.300 1.300 peak 5311 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 4.550 ppm2 1.828 CV 1 OR { 5311} (( segid " " and resid 190 and name HA )) (( segid " " and resid 89 and name HB3 )) ASSI { 5312} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 132 and name HG3 )) 4.200 2.200 1.800 peak 5312 spectrum 1 weight 0.10000E+01 volume 0.89028E-03 ppm1 0.923 ppm2 2.118 CV 1 ASSI { 5313} (( segid " " and resid 190 and name HA )) (( segid " " and resid 89 and name HE3 )) 3.200 1.300 1.300 peak 5313 spectrum 1 weight 0.10000E+01 volume 0.61269E-03 ppm1 4.544 ppm2 2.801 CV 1 ASSI { 5315} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 192 and name HA )) 3.200 1.300 1.300 peak 5315 spectrum 1 weight 0.10000E+01 volume 0.27658E-02 ppm1 0.927 ppm2 4.701 CV 1 ASSI { 5316} ( segid " " and resid 190 and name HG2%) (( segid " " and resid 91 and name HA )) 3.800 1.800 1.800 peak 5316 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 0.927 ppm2 4.819 CV 1 ASSI { 5318} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 189 and name HB2 )) 4.000 2.000 2.000 peak 5318 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 1.492 ppm2 1.796 CV 1 ASSI { 5319} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HB3 )) 1.400 0.300 0.800 peak 5319 spectrum 1 weight 0.10000E+01 volume 0.19353E-01 ppm1 1.572 ppm2 1.495 CV 1 OR { 5319} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG )) ASSI { 5320} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 46 and name HB2 )) 5.000 3.100 1.000 peak 5320 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 1.893 ppm2 2.308 CV 1 ASSI { 5321} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 83 and name HG2 )) 3.200 1.300 1.300 peak 5321 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 1.553 ppm2 0.913 CV 1 OR { 5321} (( segid " " and resid 85 and name HB2 )) (( segid " " and resid 83 and name HG3 )) ASSI { 5322} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 83 and name HG3 )) 3.500 1.600 1.600 peak 5322 spectrum 1 weight 0.10000E+01 volume 0.98507E-03 ppm1 2.320 ppm2 0.921 CV 1 OR { 5322} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 83 and name HG2 )) ASSI { 5324} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 83 and name HD2 )) 4.200 2.300 1.800 peak 5324 spectrum 1 weight 0.10000E+01 volume 0.13202E-02 ppm1 1.890 ppm2 1.461 CV 1 ASSI { 5327} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 57 and name HG2 )) 2.900 1.000 1.000 peak 5327 spectrum 1 weight 0.10000E+01 volume 0.13811E-02 ppm1 2.023 ppm2 1.438 CV 1 OR { 5327} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 57 and name HG3 )) ASSI { 5328} (( segid " " and resid 185 and name HA )) (( segid " " and resid 186 and name HG3 )) 5.100 3.200 0.900 peak 5328 spectrum 1 weight 0.10000E+01 volume 0.59915E-03 ppm1 3.841 ppm2 2.391 CV 1 ASSI { 5329} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 182 and name HA )) 3.600 1.600 1.600 peak 5329 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 1.786 ppm2 4.389 CV 1 OR { 5329} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 182 and name HA )) ASSI { 5330} (( segid " " and resid 182 and name HG2 )) (( segid " " and resid 179 and name HB )) 2.800 2.800 3.200 peak 5330 spectrum 1 weight 0.10000E+01 volume 0.53147E-03 ppm1 2.568 ppm2 4.703 CV 1 ASSI { 5331} (( segid " " and resid 182 and name HA )) (( segid " " and resid 57 and name HG2 )) 4.800 2.900 1.200 peak 5331 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 4.388 ppm2 1.402 CV 1 ASSI { 5332} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 55 and name HB3 )) 4.700 2.700 1.300 peak 5332 spectrum 1 weight 0.10000E+01 volume 0.76166E-03 ppm1 1.190 ppm2 2.438 CV 1 ASSI { 5333} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 92 and name HB2 )) 4.200 2.200 1.800 peak 5333 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 1.280 ppm2 2.441 CV 1 ASSI { 5334} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 55 and name HA )) 4.400 2.400 1.600 peak 5334 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 1.623 ppm2 4.930 CV 1 ASSI { 5339} (( segid " " and resid 187 and name HA )) (( segid " " and resid 86 and name HE )) 4.500 2.500 1.500 peak 5339 spectrum 1 weight 0.10000E+01 volume 0.76504E-03 ppm1 3.829 ppm2 7.381 CV 1 ASSI { 5340} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name H )) 3.900 1.900 1.900 peak 5340 spectrum 1 weight 0.10000E+01 volume 0.16316E-02 ppm1 1.926 ppm2 8.483 CV 1 ASSI { 5342} (( segid " " and resid 130 and name HA )) (( segid " " and resid 129 and name HA )) 4.200 2.200 1.800 peak 5342 spectrum 1 weight 0.10000E+01 volume 0.61947E-03 ppm1 4.407 ppm2 5.582 CV 1 ASSI { 5343} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name HD1 )) 4.900 2.900 1.100 peak 5343 spectrum 1 weight 0.10000E+01 volume 0.81918E-03 ppm1 0.228 ppm2 7.273 CV 1 ASSI { 5344} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 46 and name HB2 )) 4.200 2.200 1.800 peak 5344 spectrum 1 weight 0.10000E+01 volume 0.87335E-03 ppm1 2.574 ppm2 2.323 CV 1 ASSI { 5345} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 62 and name HA )) 3.500 1.500 1.500 peak 5345 spectrum 1 weight 0.10000E+01 volume 0.53147E-03 ppm1 0.504 ppm2 3.901 CV 1 ASSI { 5347} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 179 and name H )) 3.800 1.800 1.800 peak 5347 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 3.043 ppm2 9.386 CV 1 ASSI { 5348} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 179 and name H )) 3.700 1.700 1.700 peak 5348 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 3.090 ppm2 9.373 CV 1 ASSI { 5349} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 178 and name H )) 4.000 2.000 2.000 peak 5349 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 3.087 ppm2 7.009 CV 1 ASSI { 5350} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 178 and name H )) 4.400 2.400 1.600 peak 5350 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 3.053 ppm2 7.013 CV 1 ASSI { 5351} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 82 and name HB3 )) 3.200 1.300 1.300 peak 5351 spectrum 1 weight 0.10000E+01 volume 0.75827E-03 ppm1 2.005 ppm2 1.707 CV 1 ASSI { 5352} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 80 and name HB3 )) 4.300 2.300 1.700 peak 5352 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 1.542 ppm2 1.963 CV 1 ASSI { 5353} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name H )) 5.100 3.300 0.900 peak 5353 spectrum 1 weight 0.10000E+01 volume 0.50777E-03 ppm1 3.886 ppm2 7.163 CV 1 ASSI { 5354} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 30 and name H )) 5.900 4.300 0.100 peak 5354 spectrum 1 weight 0.10000E+01 volume 0.58561E-03 ppm1 2.725 ppm2 7.157 CV 1 ASSI { 5357} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB2 )) 2.700 0.900 0.900 peak 5357 spectrum 1 weight 0.10000E+01 volume 0.80701E-02 ppm1 4.262 ppm2 1.687 CV 1 ASSI { 5359} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB3 )) 2.200 0.600 0.600 peak 5359 spectrum 1 weight 0.10000E+01 volume 0.10240E-01 ppm1 4.262 ppm2 1.806 CV 1 ASSI { 5360} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 196 and name HB2 )) 3.500 1.600 1.600 peak 5360 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 3.671 ppm2 0.887 CV 1 OR { 5360} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 196 and name HD2 )) ASSI { 5361} (( segid " " and resid 196 and name HD3 )) (( segid " " and resid 128 and name HB2 )) 4.300 2.300 1.700 peak 5361 spectrum 1 weight 0.10000E+01 volume 0.86658E-03 ppm1 0.543 ppm2 3.670 CV 1 ASSI { 5362} (( segid " " and resid 196 and name HD2 )) (( segid " " and resid 196 and name HG3 )) 3.000 1.100 1.100 peak 5362 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 0.887 ppm2 0.173 CV 1 ASSI { 5363} (( segid " " and resid 181 and name HD2 )) (( segid " " and resid 181 and name HB2 )) 4.000 2.000 2.000 peak 5363 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 3.407 ppm2 2.063 CV 1 ASSI { 5364} (( segid " " and resid 181 and name HD2 )) (( segid " " and resid 181 and name HB3 )) 3.400 1.500 1.500 peak 5364 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 3.419 ppm2 1.807 CV 1 ASSI { 5365} (( segid " " and resid 181 and name HD2 )) (( segid " " and resid 181 and name HG2 )) 3.200 1.300 1.300 peak 5365 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 3.414 ppm2 1.541 CV 1 ASSI { 5366} (( segid " " and resid 181 and name HD2 )) ( segid " " and resid 50 and name HE% ) 4.400 2.400 1.600 peak 5366 spectrum 1 weight 0.10000E+01 volume 0.56871E-03 ppm1 3.411 ppm2 6.498 CV 1 ASSI { 5368} (( segid " " and resid 181 and name HD2 )) (( segid " " and resid 61 and name HD1 )) 4.800 2.900 1.200 peak 5368 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 3.402 ppm2 7.334 CV 1 ASSI { 5369} (( segid " " and resid 181 and name HD3 )) (( segid " " and resid 181 and name HD2 )) 2.300 0.700 0.700 peak 5369 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 3.205 ppm2 3.406 CV 1 ASSI { 5373} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HB2 )) 2.300 0.700 0.700 peak 5373 spectrum 1 weight 0.10000E+01 volume 0.78127E-02 ppm1 1.205 ppm2 1.899 CV 1 ASSI { 5375} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 191 and name HB2 )) 1.700 0.300 0.500 peak 5375 spectrum 1 weight 0.10000E+01 volume 0.18506E-01 ppm1 0.636 ppm2 1.581 CV 1 ASSI { 5377} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 3 and name H )) 2.200 0.600 0.600 peak 5377 spectrum 1 weight 0.10000E+01 volume 0.17819E-01 ppm1 1.105 ppm2 7.853 CV 1 ASSI { 5378} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HG3 )) 4.200 2.200 1.800 peak 5378 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 4.852 ppm2 2.351 CV 1 OR { 5378} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HG2 )) ASSI { 5380} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HA )) 3.700 1.700 1.700 peak 5380 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 2.130 ppm2 4.190 CV 1 ASSI { 5381} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HA )) 3.500 1.500 1.500 peak 5381 spectrum 1 weight 0.10000E+01 volume 0.17332E-02 ppm1 1.806 ppm2 4.190 CV 1 ASSI { 5383} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HG2 )) 2.200 0.600 0.600 peak 5383 spectrum 1 weight 0.10000E+01 volume 0.40248E-02 ppm1 2.126 ppm2 1.814 CV 1 OR { 5383} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name HB2 )) ASSI { 5384} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HG3 )) 2.200 0.600 0.600 peak 5384 spectrum 1 weight 0.10000E+01 volume 0.40993E-02 ppm1 1.805 ppm2 2.118 CV 1 OR { 5384} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name HB3 )) ASSI { 5385} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 123 and name HB3 )) 3.500 1.500 1.500 peak 5385 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 1.806 ppm2 2.685 CV 1 ASSI { 5387} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 178 and name HA )) 3.400 1.500 1.500 peak 5387 spectrum 1 weight 0.10000E+01 volume 0.14861E-02 ppm1 3.091 ppm2 4.885 CV 1 ASSI { 5388} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 178 and name HA )) 4.100 2.100 1.900 peak 5388 spectrum 1 weight 0.10000E+01 volume 0.14793E-02 ppm1 3.046 ppm2 4.877 CV 1 ASSI { 5389} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 36 and name H )) 3.900 1.900 1.900 peak 5389 spectrum 1 weight 0.10000E+01 volume 0.19600E-02 ppm1 2.987 ppm2 7.984 CV 1 ASSI { 5392} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 123 and name HB3 )) 3.800 1.800 1.800 peak 5392 spectrum 1 weight 0.10000E+01 volume 0.95122E-03 ppm1 2.132 ppm2 2.701 CV 1 ASSI { 5393} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name HA )) 3.000 1.100 1.100 peak 5393 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 2.093 ppm2 4.192 CV 1 ASSI { 5395} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 19 and name HE% ) 2.700 0.900 0.900 peak 5395 spectrum 1 weight 0.10000E+01 volume 0.88521E-02 ppm1 2.051 ppm2 7.125 CV 1 ASSI { 5396} ( segid " " and resid 111 and name HE% ) ( segid " " and resid 180 and name HD2%) 2.100 0.600 0.600 peak 5396 spectrum 1 weight 0.10000E+01 volume 0.10524E-01 ppm1 1.952 ppm2 0.636 CV 1 ASSI { 5397} (( segid " " and resid 87 and name HD2 )) (( segid " " and resid 87 and name HG3 )) 3.100 1.200 1.200 peak 5397 spectrum 1 weight 0.10000E+01 volume 0.28164E-02 ppm1 3.640 ppm2 1.871 CV 1 OR { 5397} (( segid " " and resid 87 and name HD2 )) (( segid " " and resid 87 and name HB3 )) ASSI { 5398} (( segid " " and resid 181 and name HD2 )) (( segid " " and resid 181 and name HG3 )) 3.500 1.600 1.600 peak 5398 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 3.414 ppm2 1.607 CV 1 ASSI { 5399} (( segid " " and resid 181 and name HD2 )) (( segid " " and resid 50 and name HZ )) 2.700 2.700 3.300 peak 5399 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 3.397 ppm2 6.743 CV 1 ASSI { 5400} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 111 and name HB3 )) 3.500 1.500 1.500 peak 5400 spectrum 1 weight 0.10000E+01 volume 0.18550E-02 ppm1 0.640 ppm2 2.009 CV 1 ASSI { 5401} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HG12)) 1.700 0.400 0.500 peak 5401 spectrum 1 weight 0.10000E+01 volume 0.32139E-01 ppm1 0.641 ppm2 0.732 CV 1 OR { 5401} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 115 and name HG13)) OR { 5401} ( segid " " and resid 115 and name HD1%) ( segid " " and resid 115 and name HG2%) ASSI { 5402} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 19 and name HB3 )) 3.000 1.100 1.100 peak 5402 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 1.365 ppm2 2.933 CV 1 ASSI { 5403} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 19 and name HE% ) 4.300 2.400 1.700 peak 5403 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 1.370 ppm2 7.121 CV 1 ASSI { 5405} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 193 and name HB2 )) 2.500 0.800 0.800 peak 5405 spectrum 1 weight 0.10000E+01 volume 0.39977E-02 ppm1 0.573 ppm2 1.008 CV 1 ASSI { 5406} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 19 and name HD% ) 2.100 2.100 3.900 peak 5406 spectrum 1 weight 0.10000E+01 volume 0.32733E-02 ppm1 1.474 ppm2 7.054 CV 1 ASSI { 5407} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 113 and name HB3 )) 2.300 2.300 3.700 peak 5407 spectrum 1 weight 0.10000E+01 volume 0.16012E-02 ppm1 1.430 ppm2 1.767 CV 1 ASSI { 5408} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 48 and name HA3 )) 2.900 1.000 1.000 peak 5408 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 2.334 ppm2 4.470 CV 1 ASSI { 5409} (( segid " " and resid 74 and name HD2 )) ( segid " " and resid 4 and name HD1%) 4.300 2.300 1.700 peak 5409 spectrum 1 weight 0.10000E+01 volume 0.14116E-02 ppm1 3.183 ppm2 0.713 CV 1 ASSI { 5412} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name H )) 2.200 0.600 0.600 peak 5412 spectrum 1 weight 0.10000E+01 volume 0.25727E-02 ppm1 2.543 ppm2 8.185 CV 1 ASSI { 5413} (( segid " " and resid 57 and name HA )) (( segid " " and resid 184 and name H )) 4.700 2.700 1.300 peak 5413 spectrum 1 weight 0.10000E+01 volume 0.61608E-03 ppm1 4.149 ppm2 7.711 CV 1 ASSI { 5414} (( segid " " and resid 87 and name HG2 )) ( segid " " and resid 99 and name HG2%) 4.400 2.400 1.600 peak 5414 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 2.086 ppm2 0.903 CV 1 ASSI { 5416} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 43 and name HD2 )) 3.400 1.500 1.500 peak 5416 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 2.324 ppm2 3.667 CV 1 OR { 5416} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 43 and name HD3 )) ASSI { 5419} (( segid " " and resid 171 and name HA )) ( segid " " and resid 130 and name HG1%) 4.800 2.800 1.200 peak 5419 spectrum 1 weight 0.10000E+01 volume 0.67363E-03 ppm1 4.147 ppm2 0.224 CV 1 ASSI { 5420} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HG )) 3.200 1.300 1.300 peak 5420 spectrum 1 weight 0.10000E+01 volume 0.33715E-02 ppm1 4.142 ppm2 1.429 CV 1 ASSI { 5427} (( segid " " and resid 194 and name HD2 )) ( segid " " and resid 130 and name HG2%) 2.400 2.400 3.600 peak 5427 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 3.015 ppm2 0.477 CV 1 ASSI { 5428} (( segid " " and resid 91 and name HD2 )) ( segid " " and resid 190 and name HG2%) 3.600 1.600 1.600 peak 5428 spectrum 1 weight 0.10000E+01 volume 0.18652E-02 ppm1 2.977 ppm2 0.952 CV 1 ASSI { 5429} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 92 and name HG3 )) 4.500 2.500 1.500 peak 5429 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 1.074 ppm2 2.566 CV 1 ASSI { 5430} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 130 and name HG2%) 3.500 1.500 1.500 peak 5430 spectrum 1 weight 0.10000E+01 volume 0.55517E-02 ppm1 0.637 ppm2 0.499 CV 1 ASSI { 5431} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 89 and name HD3 )) 3.000 1.100 1.100 peak 5431 spectrum 1 weight 0.10000E+01 volume 0.24508E-02 ppm1 0.908 ppm2 1.476 CV 1 OR { 5431} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 89 and name HD2 )) ASSI { 5432} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name H )) 3.700 1.700 1.700 peak 5432 spectrum 1 weight 0.10000E+01 volume 0.32023E-02 ppm1 0.903 ppm2 8.422 CV 1 ASSI { 5433} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 100 and name H )) 2.800 1.000 1.000 peak 5433 spectrum 1 weight 0.10000E+01 volume 0.58427E-02 ppm1 0.905 ppm2 9.169 CV 1 ASSI { 5434} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 89 and name HA )) 3.400 3.400 2.600 peak 5434 spectrum 1 weight 0.10000E+01 volume 0.26471E-02 ppm1 0.820 ppm2 4.704 CV 1 ASSI { 5435} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 91 and name H )) 4.300 2.300 1.700 peak 5435 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 0.820 ppm2 9.203 CV 1 ASSI { 5436} (( segid " " and resid 95 and name HA3 )) (( segid " " and resid 91 and name HG3 )) 5.200 3.400 0.800 peak 5436 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 3.506 ppm2 1.352 CV 1 ASSI { 5437} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 93 and name H )) 4.300 2.300 1.700 peak 5437 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 0.640 ppm2 8.490 CV 1 ASSI { 5438} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 98 and name H )) 4.000 2.000 2.000 peak 5438 spectrum 1 weight 0.10000E+01 volume 0.15673E-02 ppm1 0.639 ppm2 9.138 CV 1 ASSI { 5440} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 81 and name HE% ) 4.400 2.400 1.600 peak 5440 spectrum 1 weight 0.10000E+01 volume 0.63639E-03 ppm1 0.841 ppm2 6.306 CV 1 ASSI { 5442} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 127 and name HE% ) 2.800 1.000 1.000 peak 5442 spectrum 1 weight 0.10000E+01 volume 0.30128E-02 ppm1 0.951 ppm2 6.637 CV 1 ASSI { 5443} ( segid " " and resid 93 and name HD1%) ( segid " " and resid 127 and name HD% ) 3.300 1.400 1.400 peak 5443 spectrum 1 weight 0.10000E+01 volume 0.17366E-02 ppm1 0.952 ppm2 6.864 CV 1 ASSI { 5444} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 127 and name HD% ) 3.500 1.600 1.600 peak 5444 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 0.959 ppm2 6.860 CV 1 ASSI { 5445} (( segid " " and resid 18 and name HG2 )) ( segid " " and resid 6 and name HD2%) 3.800 1.800 1.800 peak 5445 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 2.026 ppm2 0.880 CV 1 ASSI { 5446} (( segid " " and resid 18 and name HG3 )) (( segid " " and resid 6 and name HB2 )) 4.600 2.600 1.400 peak 5446 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 2.023 ppm2 1.335 CV 1 OR { 5446} (( segid " " and resid 18 and name HG2 )) (( segid " " and resid 6 and name HB2 )) ASSI { 5447} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HB3 )) 2.600 0.800 0.800 peak 5447 spectrum 1 weight 0.10000E+01 volume 0.43567E-02 ppm1 0.710 ppm2 1.638 CV 1 ASSI { 5448} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 65 and name HA2 )) 2.500 0.800 0.800 peak 5448 spectrum 1 weight 0.10000E+01 volume 0.70310E-02 ppm1 2.027 ppm2 3.579 CV 1 ASSI { 5451} (( segid " " and resid -2 and name HB2 )) (( segid " " and resid -2 and name HD3 )) 4.200 2.300 1.800 peak 5451 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 1.600 ppm2 3.790 CV 1 ASSI { 5452} (( segid " " and resid -2 and name HB3 )) (( segid " " and resid -2 and name HD2 )) 4.300 2.300 1.700 peak 5452 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 2.095 ppm2 3.675 CV 1 ASSI { 5453} (( segid " " and resid -2 and name HB2 )) (( segid " " and resid -2 and name HD2 )) 3.600 1.600 1.600 peak 5453 spectrum 1 weight 0.10000E+01 volume 0.21089E-02 ppm1 1.603 ppm2 3.674 CV 1 ASSI { 5454} (( segid " " and resid 87 and name HD3 )) (( segid " " and resid 87 and name HD2 )) 2.100 0.500 0.500 peak 5454 spectrum 1 weight 0.10000E+01 volume 0.25625E-02 ppm1 3.514 ppm2 3.636 CV 1 ASSI { 5456} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 57 and name HG3 )) 2.600 0.900 0.900 peak 5456 spectrum 1 weight 0.10000E+01 volume 0.63843E-02 ppm1 2.952 ppm2 1.458 CV 1 OR { 5456} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 57 and name HG3 )) ASSI { 5457} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 131 and name HD2 )) 2.300 2.300 3.700 peak 5457 spectrum 1 weight 0.10000E+01 volume 0.18415E-02 ppm1 0.754 ppm2 2.959 CV 1 ASSI { 5458} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 131 and name HD3 )) 2.500 2.500 3.500 peak 5458 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 0.754 ppm2 3.060 CV 1 ASSI { 5459} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 131 and name HB2 )) 2.000 2.000 4.000 peak 5459 spectrum 1 weight 0.10000E+01 volume 0.40282E-02 ppm1 0.748 ppm2 1.991 CV 1 ASSI { 5460} (( segid " " and resid 91 and name HG2 )) (( segid " " and resid 91 and name HH22)) 5.400 3.600 0.600 peak 5460 spectrum 1 weight 0.10000E+01 volume 0.88012E-03 ppm1 1.629 ppm2 6.815 CV 1 ASSI { 5461} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HA )) 2.200 2.200 3.800 peak 5461 spectrum 1 weight 0.10000E+01 volume 0.17728E-01 ppm1 0.714 ppm2 4.713 CV 1 ASSI { 5462} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 61 and name HB2 )) 3.700 1.700 1.700 peak 5462 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 3.712 ppm2 3.013 CV 1 ASSI { 5463} (( segid " " and resid 200 and name HB3 )) (( segid " " and resid 201 and name H )) 3.300 1.400 1.400 peak 5463 spectrum 1 weight 0.10000E+01 volume 0.48645E-02 ppm1 3.709 ppm2 8.165 CV 1 ASSI { 5464} (( segid " " and resid 95 and name HA2 )) (( segid " " and resid 91 and name HG2 )) 3.100 1.200 1.200 peak 5464 spectrum 1 weight 0.10000E+01 volume 0.71087E-03 ppm1 4.334 ppm2 1.661 CV 1 ASSI { 5465} (( segid " " and resid 95 and name HA2 )) (( segid " " and resid 91 and name HG3 )) 4.300 2.300 1.700 peak 5465 spectrum 1 weight 0.10000E+01 volume 0.57548E-03 ppm1 4.326 ppm2 1.357 CV 1 ASSI { 5466} (( segid " " and resid 189 and name HG2 )) (( segid " " and resid 190 and name H )) 2.500 2.500 3.500 peak 5466 spectrum 1 weight 0.10000E+01 volume 0.92075E-03 ppm1 1.854 ppm2 8.617 CV 1 ASSI { 5467} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 189 and name HA )) 2.900 1.100 1.100 peak 5467 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 1.855 ppm2 3.985 CV 1 ASSI { 5468} ( segid " " and resid 68 and name HD1%) (( segid " " and resid 68 and name HB3 )) 2.700 0.900 0.900 peak 5468 spectrum 1 weight 0.10000E+01 volume 0.27691E-02 ppm1 0.328 ppm2 1.074 CV 1 ASSI { 5470} (( segid " " and resid 114 and name HB )) ( segid " " and resid 114 and name HG2%) 2.400 0.700 0.700 peak 5470 spectrum 1 weight 0.10000E+01 volume 0.50201E-02 ppm1 4.244 ppm2 1.162 CV 1 ASSI { 5471} (( segid " " and resid -1 and name HB2 )) (( segid " " and resid -1 and name HB3 )) 1.400 0.200 0.800 peak 5471 spectrum 1 weight 0.10000E+01 volume 0.63924E-01 ppm1 3.107 ppm2 2.986 CV 1 ASSI { 5473} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 92 and name HB3 )) 5.000 3.100 1.000 peak 5473 spectrum 1 weight 0.10000E+01 volume 0.97153E-03 ppm1 1.074 ppm2 2.268 CV 1 ASSI { 5474} (( segid " " and resid 24 and name HB3 )) ( segid " " and resid 26 and name HD% ) 3.800 1.800 1.800 peak 5474 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 1.739 ppm2 7.077 CV 1 OR { 5474} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 26 and name HD% ) ASSI { 5477} (( segid " " and resid 195 and name HB2 )) ( segid " " and resid 127 and name HE% ) 3.300 1.300 1.300 peak 5477 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 1.192 ppm2 6.640 CV 1 ASSI { 5478} (( segid " " and resid 195 and name HD2 )) ( segid " " and resid 127 and name HE% ) 3.500 1.500 1.500 peak 5478 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 2.702 ppm2 6.639 CV 1 OR { 5478} (( segid " " and resid 195 and name HD3 )) ( segid " " and resid 127 and name HE% ) ASSI { 5483} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 7 and name H )) 2.300 2.300 3.700 peak 5483 spectrum 1 weight 0.10000E+01 volume 0.15470E-02 ppm1 0.708 ppm2 8.666 CV 1 ASSI { 5489} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 98 and name HD2 )) 3.500 1.500 1.500 peak 5489 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 1.071 ppm2 1.568 CV 1 OR { 5489} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 98 and name HD3 )) ASSI { 5491} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 172 and name H )) 3.100 1.200 1.200 peak 5491 spectrum 1 weight 0.10000E+01 volume 0.47526E-02 ppm1 0.485 ppm2 8.350 CV 1 ASSI { 5492} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 128 and name HB2 )) 3.700 1.700 1.700 peak 5492 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 0.226 ppm2 3.659 CV 1 ASSI { 5493} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 132 and name HG3 )) 3.200 1.300 1.300 peak 5493 spectrum 1 weight 0.10000E+01 volume 0.19668E-02 ppm1 0.483 ppm2 2.136 CV 1 ASSI { 5496} ( segid " " and resid 121 and name HG2%) ( segid " " and resid 93 and name HD2%) 4.300 2.300 1.700 peak 5496 spectrum 1 weight 0.10000E+01 volume 0.14861E-02 ppm1 0.489 ppm2 0.957 CV 1 OR { 5496} ( segid " " and resid 121 and name HG2%) ( segid " " and resid 93 and name HD1%) ASSI { 5497} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 98 and name HB3 )) 3.700 1.700 1.700 peak 5497 spectrum 1 weight 0.10000E+01 volume 0.15571E-02 ppm1 0.590 ppm2 1.522 CV 1 ASSI { 5501} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 115 and name H )) 4.200 2.200 1.800 peak 5501 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 0.745 ppm2 8.536 CV 1 ASSI { 5505} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 127 and name HB2 )) 3.000 1.100 1.100 peak 5505 spectrum 1 weight 0.10000E+01 volume 0.41908E-02 ppm1 0.748 ppm2 2.803 CV 1 OR { 5505} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 127 and name HB3 )) ASSI { 5507} ( segid " " and resid 109 and name HG2%) ( segid " " and resid 108 and name HG1%) 4.300 2.300 1.700 peak 5507 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 1.205 ppm2 0.502 CV 1 ASSI { 5508} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 110 and name HB3 )) 4.400 2.400 1.600 peak 5508 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 1.207 ppm2 2.604 CV 1 ASSI { 5513} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 111 and name HA )) 4.900 3.000 1.100 peak 5513 spectrum 1 weight 0.10000E+01 volume 0.99861E-03 ppm1 0.633 ppm2 4.022 CV 1 ASSI { 5515} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 118 and name H )) 5.100 3.300 0.900 peak 5515 spectrum 1 weight 0.10000E+01 volume 0.11848E-02 ppm1 0.686 ppm2 7.669 CV 1 ASSI { 5520} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 194 and name H )) 4.800 2.900 1.200 peak 5520 spectrum 1 weight 0.10000E+01 volume 0.78197E-03 ppm1 0.643 ppm2 8.637 CV 1 ASSI { 5521} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HG3 )) 4.300 2.300 1.700 peak 5521 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 1.009 ppm2 2.142 CV 1 OR { 5521} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HG2 )) ASSI { 5524} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 44 and name HD2 )) 3.600 1.600 1.600 peak 5524 spectrum 1 weight 0.10000E+01 volume 0.15741E-02 ppm1 0.843 ppm2 3.753 CV 1 OR { 5524} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 44 and name HD3 )) ASSI { 5531} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 20 and name HA )) 4.800 2.900 1.200 peak 5531 spectrum 1 weight 0.10000E+01 volume 0.91736E-03 ppm1 1.983 ppm2 4.679 CV 1 ASSI { 5532} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 6 and name H )) 4.100 2.100 1.900 peak 5532 spectrum 1 weight 0.10000E+01 volume 0.10934E-02 ppm1 1.687 ppm2 8.897 CV 1 ASSI { 5536} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 6 and name H )) 3.000 3.000 3.000 peak 5536 spectrum 1 weight 0.10000E+01 volume 0.29619E-02 ppm1 0.931 ppm2 8.892 CV 1 ASSI { 5538} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 32 and name HA )) 4.800 2.900 1.200 peak 5538 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 0.687 ppm2 3.203 CV 1 ASSI { 5546} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 76 and name H )) 4.200 2.200 1.800 peak 5546 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 0.714 ppm2 9.287 CV 1 ASSI { 5547} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 91 and name H )) 3.700 1.700 1.700 peak 5547 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 0.716 ppm2 9.213 CV 1 ASSI { 5550} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 75 and name HD22)) 3.600 1.600 1.600 peak 5550 spectrum 1 weight 0.10000E+01 volume 0.25253E-02 ppm1 0.711 ppm2 7.075 CV 1 ASSI { 5552} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 74 and name HD2 )) 3.900 1.900 1.900 peak 5552 spectrum 1 weight 0.10000E+01 volume 0.27926E-02 ppm1 0.718 ppm2 3.170 CV 1 ASSI { 5554} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 90 and name HB )) 3.600 1.700 1.700 peak 5554 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 0.573 ppm2 1.643 CV 1 ASSI { 5564} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 82 and name H )) 4.100 2.100 1.900 peak 5564 spectrum 1 weight 0.10000E+01 volume 0.13676E-02 ppm1 1.469 ppm2 8.671 CV 1 ASSI { 5566} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 67 and name HB% ) 5.200 3.400 0.800 peak 5566 spectrum 1 weight 0.10000E+01 volume 0.78197E-03 ppm1 2.611 ppm2 1.369 CV 1 ASSI { 5572} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 183 and name HA )) 3.500 1.500 1.500 peak 5572 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 2.920 ppm2 4.522 CV 1 OR { 5572} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 183 and name HA )) ASSI { 5574} (( segid " " and resid 98 and name HE3 )) ( segid " " and resid 99 and name HG2%) 3.500 1.500 1.500 peak 5574 spectrum 1 weight 0.10000E+01 volume 0.26505E-02 ppm1 2.911 ppm2 0.909 CV 1 OR { 5574} (( segid " " and resid 98 and name HE2 )) ( segid " " and resid 99 and name HG2%) ASSI { 5575} (( segid " " and resid 66 and name HE2 )) (( segid " " and resid 68 and name HB2 )) 3.800 1.900 1.900 peak 5575 spectrum 1 weight 0.10000E+01 volume 0.14522E-02 ppm1 2.250 ppm2 1.917 CV 1 OR { 5575} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 68 and name HB2 )) ASSI { 5578} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 172 and name HB2 )) 4.100 2.100 1.900 peak 5578 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 0.791 ppm2 2.851 CV 1 ASSI { 5579} (( segid " " and resid 74 and name HD3 )) ( segid " " and resid 4 and name HD2%) 4.100 2.100 1.900 peak 5579 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 3.117 ppm2 0.713 CV 1 OR { 5579} (( segid " " and resid 74 and name HD3 )) ( segid " " and resid 4 and name HD1%) ASSI { 5584} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 101 and name HG3 )) 4.000 2.000 2.000 peak 5584 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 2.067 ppm2 2.539 CV 1 ASSI { 5585} (( segid " " and resid 118 and name HD3 )) ( segid " " and resid 115 and name HG2%) 3.100 3.100 2.900 peak 5585 spectrum 1 weight 0.10000E+01 volume 0.35408E-02 ppm1 3.157 ppm2 0.761 CV 1 ASSI { 5586} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 85 and name HG3 )) 2.800 1.000 1.000 peak 5586 spectrum 1 weight 0.10000E+01 volume 0.85407E-02 ppm1 1.748 ppm2 2.072 CV 1 ASSI { 5589} ( segid " " and resid 171 and name HD1%) ( segid " " and resid 130 and name HG1%) 2.500 2.500 3.500 peak 5589 spectrum 1 weight 0.10000E+01 volume 0.12867E-01 ppm1 0.694 ppm2 0.222 CV 1 ASSI { 5592} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 32 and name HB )) 3.300 1.400 1.400 peak 5592 spectrum 1 weight 0.10000E+01 volume 0.43735E-02 ppm1 2.046 ppm2 1.555 CV 1 ASSI { 5593} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 118 and name HA )) 3.800 1.800 1.800 peak 5593 spectrum 1 weight 0.10000E+01 volume 0.28231E-02 ppm1 2.905 ppm2 4.137 CV 1 OR { 5593} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 118 and name HA )) ASSI { 5599} (( segid " " and resid 169 and name HA )) (( segid " " and resid 138 and name HB2 )) 4.800 2.900 1.200 peak 5599 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 4.451 ppm2 1.685 CV 1 ASSI { 5600} (( segid " " and resid 56 and name HA )) (( segid " " and resid 59 and name HA3 )) 3.500 1.500 1.500 peak 5600 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 4.348 ppm2 3.707 CV 1 ASSI { 5601} (( segid " " and resid 57 and name HE2 )) (( segid " " and resid 182 and name H )) 3.800 1.800 1.800 peak 5601 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 2.956 ppm2 8.026 CV 1 OR { 5601} (( segid " " and resid 57 and name HE3 )) (( segid " " and resid 182 and name H )) ASSI { 5602} (( segid " " and resid 57 and name HD3 )) (( segid " " and resid 181 and name HD2 )) 4.200 2.200 1.800 peak 5602 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.635 ppm2 3.374 CV 1 OR { 5602} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 181 and name HD2 )) ASSI { 5606} (( segid " " and resid 174 and name HB2 )) (( segid " " and resid 175 and name H )) 4.300 2.300 1.700 peak 5606 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 1.291 ppm2 9.132 CV 1 ASSI { 5608} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 185 and name H )) 4.600 2.600 1.400 peak 5608 spectrum 1 weight 0.10000E+01 volume 0.14928E-02 ppm1 0.680 ppm2 7.339 CV 1 ASSI { 5609} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 183 and name H )) 4.600 2.600 1.400 peak 5609 spectrum 1 weight 0.10000E+01 volume 0.94783E-03 ppm1 0.676 ppm2 7.168 CV 1 ASSI { 5612} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 173 and name HZ2 )) 3.100 1.200 1.200 peak 5612 spectrum 1 weight 0.10000E+01 volume 0.55889E-02 ppm1 0.695 ppm2 7.339 CV 1 ASSI { 5614} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 132 and name HG2 )) 2.800 1.000 1.000 peak 5614 spectrum 1 weight 0.10000E+01 volume 0.27487E-02 ppm1 0.617 ppm2 2.000 CV 1 ASSI { 5615} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 130 and name HB )) 4.300 2.300 1.700 peak 5615 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 0.616 ppm2 1.610 CV 1 ASSI { 5616} ( segid " " and resid 171 and name HD2%) ( segid " " and resid 130 and name HG1%) 3.300 3.300 2.700 peak 5616 spectrum 1 weight 0.10000E+01 volume 0.58765E-02 ppm1 0.614 ppm2 0.220 CV 1 ASSI { 5617} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 173 and name HZ2 )) 4.400 2.500 1.600 peak 5617 spectrum 1 weight 0.10000E+01 volume 0.14590E-02 ppm1 0.617 ppm2 7.343 CV 1 ASSI { 5618} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 169 and name HB2 )) 4.100 2.100 1.900 peak 5618 spectrum 1 weight 0.10000E+01 volume 0.27283E-02 ppm1 2.138 ppm2 2.640 CV 1 OR { 5618} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 169 and name HB2 )) OR { 5618} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 169 and name HB3 )) OR { 5618} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 169 and name HB3 )) ASSI { 5620} (( segid " " and resid 170 and name HA )) (( segid " " and resid 171 and name HB3 )) 4.900 3.100 1.100 peak 5620 spectrum 1 weight 0.10000E+01 volume 0.84965E-03 ppm1 4.216 ppm2 0.856 CV 1 ASSI { 5622} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 172 and name HD22)) 3.600 1.600 1.600 peak 5622 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 2.909 ppm2 6.988 CV 1 OR { 5622} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 172 and name HD22)) ASSI { 5623} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HE3 )) 4.500 2.500 1.500 peak 5623 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 4.197 ppm2 2.905 CV 1 OR { 5623} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HE2 )) ASSI { 5625} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 81 and name HD% ) 4.300 2.300 1.700 peak 5625 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 0.827 ppm2 6.862 CV 1 ASSI { 5627} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 127 and name H )) 4.200 2.200 1.800 peak 5627 spectrum 1 weight 0.10000E+01 volume 0.89705E-03 ppm1 2.399 ppm2 7.835 CV 1 ASSI { 5628} (( segid " " and resid -1 and name HA )) ( segid " " and resid 2 and name HG2%) 3.000 1.100 1.100 peak 5628 spectrum 1 weight 0.10000E+01 volume 0.33410E-02 ppm1 4.531 ppm2 0.857 CV 1 ASSI { 5629} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 180 and name H )) 4.700 2.800 1.300 peak 5629 spectrum 1 weight 0.10000E+01 volume 0.21597E-02 ppm1 1.949 ppm2 8.966 CV 1 ASSI { 5630} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 176 and name HE1 )) 3.800 1.800 1.800 peak 5630 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 1.951 ppm2 8.057 CV 1 ASSI { 5631} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 183 and name HE22)) 3.500 1.500 1.500 peak 5631 spectrum 1 weight 0.10000E+01 volume 0.41365E-02 ppm1 1.950 ppm2 7.249 CV 1 ASSI { 5632} ( segid " " and resid 1 and name HE% ) (( segid " " and resid 75 and name HD22)) 2.600 2.600 3.400 peak 5632 spectrum 1 weight 0.10000E+01 volume 0.34359E-02 ppm1 1.900 ppm2 7.075 CV 1 ASSI { 5634} ( segid " " and resid 92 and name HE% ) ( segid " " and resid 93 and name HD2%) 3.600 1.600 1.600 peak 5634 spectrum 1 weight 0.10000E+01 volume 0.42585E-02 ppm1 1.910 ppm2 0.956 CV 1 OR { 5634} ( segid " " and resid 92 and name HE% ) ( segid " " and resid 93 and name HD1%) ASSI { 5635} (( segid " " and resid 58 and name HE3 )) (( segid " " and resid 55 and name H )) 3.500 1.500 1.500 peak 5635 spectrum 1 weight 0.10000E+01 volume 0.14759E-02 ppm1 2.911 ppm2 9.270 CV 1 ASSI { 5642} (( segid " " and resid 194 and name HD3 )) (( segid " " and resid 173 and name HZ3 )) 4.800 2.900 1.200 peak 5642 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 3.014 ppm2 6.704 CV 1 OR { 5642} (( segid " " and resid 194 and name HD2 )) (( segid " " and resid 173 and name HZ3 )) ASSI { 5645} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 128 and name H )) 4.000 2.000 2.000 peak 5645 spectrum 1 weight 0.10000E+01 volume 0.88689E-03 ppm1 0.577 ppm2 8.850 CV 1 ASSI { 5648} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 102 and name HG1%) 4.600 2.600 1.400 peak 5648 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 1.886 ppm2 0.735 CV 1 OR { 5648} (( segid " " and resid 85 and name HG2 )) ( segid " " and resid 102 and name HG2%) ASSI { 5649} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 101 and name HA )) 4.500 2.600 1.500 peak 5649 spectrum 1 weight 0.10000E+01 volume 0.77858E-03 ppm1 1.883 ppm2 4.879 CV 1 ASSI { 5651} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 183 and name HB3 )) 2.700 0.900 0.900 peak 5651 spectrum 1 weight 0.10000E+01 volume 0.29045E-02 ppm1 2.902 ppm2 2.061 CV 1 OR { 5651} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 183 and name HB3 )) ASSI { 5652} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 188 and name HD2 )) 4.800 2.900 1.200 peak 5652 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 2.214 ppm2 7.017 CV 1 ASSI { 5653} (( segid " " and resid 131 and name HD3 )) (( segid " " and resid 172 and name HD21)) 3.300 1.400 1.400 peak 5653 spectrum 1 weight 0.10000E+01 volume 0.22240E-02 ppm1 3.086 ppm2 7.417 CV 1 ASSI { 5655} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 71 and name HA )) 4.100 2.100 1.900 peak 5655 spectrum 1 weight 0.10000E+01 volume 0.15131E-02 ppm1 -0.164 ppm2 3.986 CV 1 ASSI { 5656} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 83 and name HG2 )) 2.400 0.700 0.700 peak 5656 spectrum 1 weight 0.10000E+01 volume 0.76401E-02 ppm1 1.748 ppm2 0.904 CV 1 ASSI { 5659} (( segid " " and resid 195 and name HB3 )) ( segid " " and resid 127 and name HE% ) 4.300 2.300 1.700 peak 5659 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 1.502 ppm2 6.644 CV 1 ASSI { 5662} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 136 and name HG2 )) 3.600 1.600 1.600 peak 5662 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 1.350 ppm2 2.132 CV 1 OR { 5662} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 136 and name HG2 )) ASSI { 5663} (( segid " " and resid 189 and name HG3 )) (( segid " " and resid 189 and name HG2 )) 2.000 0.500 0.500 peak 5663 spectrum 1 weight 0.10000E+01 volume 0.63133E-02 ppm1 1.997 ppm2 1.849 CV 1 OR { 5663} (( segid " " and resid 189 and name HG3 )) (( segid " " and resid 189 and name HB3 )) ASSI { 1} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 61 and name HB3 )) 5.200 3.400 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 10.992 ppm2 3.170 CV 1 ASSI { 2} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 104 and name HB2 )) 4.500 2.500 1.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.80606E-03 ppm1 10.988 ppm2 2.627 CV 1 ASSI { 3} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 104 and name HB3 )) 3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.12024E-02 ppm1 10.991 ppm2 2.459 CV 1 ASSI { 4} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 61 and name HB2 )) 5.200 3.400 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.30108E-03 ppm1 10.994 ppm2 3.002 CV 1 ASSI { 5} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 84 and name HA )) 4.500 2.500 1.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.56023E-03 ppm1 10.990 ppm2 3.709 CV 1 ASSI { 6} (( segid " " and resid 61 and name HE1 )) ( segid " " and resid 50 and name HD% ) 3.800 1.800 1.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.52023E-03 ppm1 10.987 ppm2 5.502 CV 1 ASSI { 7} (( segid " " and resid 61 and name HE1 )) ( segid " " and resid 50 and name HE% ) 3.500 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 10.991 ppm2 6.500 CV 1 ASSI { 8} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 61 and name HZ2 )) 3.100 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.17302E-02 ppm1 10.989 ppm2 7.160 CV 1 ASSI { 9} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 61 and name HD1 )) 2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.30374E-02 ppm1 10.990 ppm2 7.333 CV 1 ASSI { 10} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 181 and name HE )) 3.900 1.900 1.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.51831E-03 ppm1 10.990 ppm2 7.994 CV 1 ASSI { 11} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 104 and name H )) 5.500 3.800 0.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.38491E-03 ppm1 10.989 ppm2 8.402 CV 1 ASSI { 12} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 105 and name H )) 5.600 3.900 0.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.18865E-03 ppm1 10.979 ppm2 8.595 CV 1 ASSI { 13} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 105 and name HA )) 4.200 2.200 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 10.991 ppm2 4.152 CV 1 ASSI { 14} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 104 and name HA )) 5.300 3.600 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.42686E-03 ppm1 10.993 ppm2 4.250 CV 1 ASSI { 15} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 50 and name HZ )) 5.000 3.100 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 10.989 ppm2 6.737 CV 1 ASSI { 16} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 82 and name HE )) 5.300 3.600 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.32775E-03 ppm1 10.985 ppm2 6.681 CV 1 ASSI { 17} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 86 and name HG2 )) 5.400 3.700 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.32395E-03 ppm1 10.992 ppm2 1.441 CV 1 ASSI { 19} (( segid " " and resid 91 and name HH21)) ( segid " " and resid 192 and name HD2%) 5.100 3.200 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 6.797 ppm2 0.710 CV 1 ASSI { 20} (( segid " " and resid 91 and name HH21)) ( segid " " and resid 97 and name HG1%) 5.000 3.100 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.52594E-03 ppm1 6.800 ppm2 0.819 CV 1 ASSI { 21} (( segid " " and resid 91 and name HH21)) (( segid " " and resid 91 and name HB2 )) 6.000 4.700 0.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 6.802 ppm2 1.374 CV 1 ASSI { 22} (( segid " " and resid 91 and name HH21)) (( segid " " and resid 91 and name HD2 )) 5.700 4.100 0.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.38491E-03 ppm1 6.800 ppm2 2.997 CV 1 ASSI { 23} (( segid " " and resid 91 and name HH21)) (( segid " " and resid 91 and name HD3 )) 5.600 3.900 0.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.41541E-03 ppm1 6.798 ppm2 3.168 CV 1 ASSI { 24} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 181 and name HB2 )) 4.400 2.400 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.26869E-03 ppm1 10.991 ppm2 2.076 CV 1 ASSI { 25} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 173 and name HA )) 4.400 2.500 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.52974E-03 ppm1 10.155 ppm2 4.646 CV 1 ASSI { 26} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 173 and name HB3 )) 4.400 2.500 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.66505E-03 ppm1 10.154 ppm2 3.531 CV 1 ASSI { 27} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 173 and name HB2 )) 3.900 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.12062E-02 ppm1 10.155 ppm2 3.003 CV 1 ASSI { 28} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 171 and name HB2 )) 3.100 1.200 1.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.17093E-02 ppm1 10.155 ppm2 1.363 CV 1 ASSI { 31} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 171 and name HB3 )) 3.000 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 10.156 ppm2 0.873 CV 1 ASSI { 32} (( segid " " and resid 173 and name HE1 )) ( segid " " and resid 130 and name HG2%) 4.400 2.400 1.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.24772E-03 ppm1 10.153 ppm2 0.473 CV 1 ASSI { 33} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 173 and name HH2 )) 4.300 2.300 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.92610E-03 ppm1 10.155 ppm2 6.844 CV 1 ASSI { 34} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 173 and name HZ2 )) 2.400 0.700 0.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.63474E-02 ppm1 10.155 ppm2 7.340 CV 1 ASSI { 35} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 173 and name HD1 )) 2.000 0.500 0.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.15668E-01 ppm1 10.155 ppm2 7.261 CV 1 ASSI { 37} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 171 and name H )) 2.700 2.700 3.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.58502E-03 ppm1 10.156 ppm2 8.187 CV 1 ASSI { 38} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 172 and name H )) 3.000 3.000 3.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.37731E-03 ppm1 10.155 ppm2 8.336 CV 1 ASSI { 39} (( segid " " and resid 131 and name HE )) (( segid " " and resid 186 and name H )) 4.800 2.900 1.200 peak 39 spectrum 1 weight 0.10000E+01 volume 0.30299E-03 ppm1 9.028 ppm2 8.809 CV 1 ASSI { 40} (( segid " " and resid 131 and name HE )) (( segid " " and resid 132 and name H )) 5.800 4.300 0.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.28774E-03 ppm1 9.032 ppm2 8.660 CV 1 ASSI { 41} (( segid " " and resid 131 and name HE )) (( segid " " and resid 131 and name H )) 5.600 3.900 0.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 9.035 ppm2 8.422 CV 1 ASSI { 42} (( segid " " and resid 131 and name HE )) (( segid " " and resid 131 and name HA )) 4.500 2.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.61549E-03 ppm1 9.029 ppm2 4.437 CV 1 ASSI { 43} (( segid " " and resid 131 and name HE )) (( segid " " and resid 131 and name HD3 )) 2.700 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 9.031 ppm2 3.065 CV 1 ASSI { 44} (( segid " " and resid 131 and name HE )) (( segid " " and resid 131 and name HD2 )) 2.800 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.14749E-02 ppm1 9.030 ppm2 2.960 CV 1 ASSI { 45} (( segid " " and resid 131 and name HE )) (( segid " " and resid 191 and name HG )) 3.500 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.14940E-02 ppm1 9.028 ppm2 1.643 CV 1 ASSI { 46} (( segid " " and resid 131 and name HE )) (( segid " " and resid 131 and name HB3 )) 2.500 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 9.030 ppm2 1.535 CV 1 ASSI { 47} (( segid " " and resid 131 and name HE )) (( segid " " and resid 131 and name HB2 )) 3.500 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 9.031 ppm2 1.993 CV 1 ASSI { 48} (( segid " " and resid 131 and name HE )) ( segid " " and resid 191 and name HD2%) 3.200 1.300 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.19704E-02 ppm1 9.030 ppm2 0.768 CV 1 ASSI { 49} (( segid " " and resid 131 and name HE )) ( segid " " and resid 185 and name HG1%) 3.000 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 9.031 ppm2 0.693 CV 1 ASSI { 50} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name HG3 )) 3.400 1.500 1.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.96993E-03 ppm1 7.990 ppm2 1.592 CV 1 ASSI { 51} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name HB3 )) 3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.92801E-03 ppm1 7.993 ppm2 1.798 CV 1 ASSI { 52} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name HG2 )) 4.000 2.000 2.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.92610E-03 ppm1 7.989 ppm2 1.557 CV 1 ASSI { 53} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name HB2 )) 3.200 1.300 1.300 peak 53 spectrum 1 weight 0.10000E+01 volume 0.95088E-03 ppm1 7.990 ppm2 2.081 CV 1 ASSI { 54} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name HD3 )) 2.900 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16769E-02 ppm1 7.990 ppm2 3.193 CV 1 ASSI { 55} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name HD2 )) 3.100 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.15264E-02 ppm1 7.989 ppm2 3.398 CV 1 ASSI { 56} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name HA )) 4.700 2.700 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.73173E-03 ppm1 7.990 ppm2 3.976 CV 1 ASSI { 57} (( segid " " and resid 181 and name HE )) (( segid " " and resid 105 and name HA )) 4.700 2.800 1.300 peak 57 spectrum 1 weight 0.10000E+01 volume 0.34111E-03 ppm1 7.987 ppm2 4.136 CV 1 ASSI { 58} (( segid " " and resid 181 and name HE )) ( segid " " and resid 50 and name HD% ) 3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.22676E-03 ppm1 7.989 ppm2 5.504 CV 1 ASSI { 60} (( segid " " and resid 181 and name HE )) (( segid " " and resid 50 and name HZ )) 2.400 2.400 3.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.13568E-02 ppm1 7.989 ppm2 6.726 CV 1 ASSI { 61} (( segid " " and resid 181 and name HE )) (( segid " " and resid 61 and name HD1 )) 3.600 1.600 1.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 7.988 ppm2 7.334 CV 1 ASSI { 62} (( segid " " and resid 181 and name HE )) (( segid " " and resid 181 and name H )) 3.000 3.000 3.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.31824E-03 ppm1 7.989 ppm2 8.731 CV 1 ASSI { 63} (( segid " " and resid 202 and name HE21)) (( segid " " and resid 202 and name HE22)) 1.300 0.200 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.13384E+00 ppm1 6.685 ppm2 7.436 CV 1 ASSI { 65} (( segid " " and resid 67 and name H )) (( segid " " and resid 66 and name HG2 )) 2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.14444E-02 ppm1 8.138 ppm2 0.990 CV 1 ASSI { 68} (( segid " " and resid 67 and name H )) ( segid " " and resid 67 and name HB% ) 2.500 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.48764E-02 ppm1 8.138 ppm2 1.390 CV 1 ASSI { 69} (( segid " " and resid 67 and name H )) (( segid " " and resid 66 and name HB2 )) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.79063E-02 ppm1 8.145 ppm2 2.038 CV 1 ASSI { 70} (( segid " " and resid 1 and name H )) (( segid " " and resid 1 and name HB3 )) 2.100 0.600 0.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.10766E-01 ppm1 8.146 ppm2 1.960 CV 1 ASSI { 71} (( segid " " and resid 1 and name H )) (( segid " " and resid 1 and name HG3 )) 3.900 1.900 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.27955E-02 ppm1 8.146 ppm2 2.528 CV 1 ASSI { 74} (( segid " " and resid 67 and name H )) (( segid " " and resid 70 and name HB2 )) 3.800 1.800 1.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.72602E-03 ppm1 8.139 ppm2 2.832 CV 1 ASSI { 78} (( segid " " and resid 67 and name H )) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 8.139 ppm2 4.853 CV 1 ASSI { 79} (( segid " " and resid 1 and name H )) (( segid " " and resid 2 and name H )) 2.600 0.900 0.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.46973E-02 ppm1 8.146 ppm2 7.972 CV 1 ASSI { 80} (( segid " " and resid 200 and name H )) (( segid " " and resid 199 and name H )) 2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.44629E-02 ppm1 8.239 ppm2 7.845 CV 1 ASSI { 81} (( segid " " and resid 200 and name H )) ( segid " " and resid 199 and name HD% ) 3.400 1.500 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.16826E-02 ppm1 8.238 ppm2 6.970 CV 1 ASSI { 82} (( segid " " and resid 200 and name H )) (( segid " " and resid 199 and name HA )) 2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.58062E-02 ppm1 8.239 ppm2 4.470 CV 1 ASSI { 83} (( segid " " and resid 200 and name H )) (( segid " " and resid 200 and name HA )) 2.400 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.53279E-02 ppm1 8.239 ppm2 4.347 CV 1 ASSI { 84} (( segid " " and resid 200 and name H )) (( segid " " and resid 200 and name HB2 )) 3.200 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.27459E-02 ppm1 8.239 ppm2 3.814 CV 1 ASSI { 85} (( segid " " and resid 200 and name H )) (( segid " " and resid 200 and name HB3 )) 3.200 1.300 1.300 peak 85 spectrum 1 weight 0.10000E+01 volume 0.36150E-02 ppm1 8.239 ppm2 3.708 CV 1 ASSI { 86} (( segid " " and resid 200 and name H )) (( segid " " and resid 199 and name HB2 )) 3.300 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.25687E-02 ppm1 8.239 ppm2 2.961 CV 1 ASSI { 87} (( segid " " and resid 200 and name H )) (( segid " " and resid 199 and name HB3 )) 3.400 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.25153E-02 ppm1 8.239 ppm2 2.785 CV 1 ASSI { 88} (( segid " " and resid 199 and name H )) ( segid " " and resid 199 and name HD% ) 2.300 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.42132E-02 ppm1 7.845 ppm2 6.968 CV 1 ASSI { 90} (( segid " " and resid 199 and name H )) (( segid " " and resid 198 and name H )) 2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.25763E-02 ppm1 7.845 ppm2 8.152 CV 1 ASSI { 91} (( segid " " and resid 198 and name H )) ( segid " " and resid 198 and name HE% ) 4.800 2.900 1.200 peak 91 spectrum 1 weight 0.10000E+01 volume 0.63073E-03 ppm1 8.151 ppm2 7.111 CV 1 ASSI { 92} (( segid " " and resid 198 and name H )) ( segid " " and resid 198 and name HD% ) 3.100 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.30356E-02 ppm1 8.147 ppm2 6.978 CV 1 ASSI { 94} (( segid " " and resid 198 and name H )) (( segid " " and resid 197 and name H )) 4.400 2.400 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.92230E-03 ppm1 8.148 ppm2 7.550 CV 1 ASSI { 95} (( segid " " and resid 199 and name H )) (( segid " " and resid 195 and name HE )) 4.300 2.300 1.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.40590E-03 ppm1 7.843 ppm2 6.726 CV 1 ASSI { 97} (( segid " " and resid 200 and name H )) ( segid " " and resid 199 and name HE% ) 4.600 2.700 1.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.37349E-03 ppm1 8.239 ppm2 6.610 CV 1 ASSI { 100} (( segid " " and resid 199 and name H )) (( segid " " and resid 200 and name HB3 )) 5.100 3.200 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.44590E-03 ppm1 7.841 ppm2 3.702 CV 1 ASSI { 104} (( segid " " and resid 198 and name H )) (( segid " " and resid 197 and name HB2 )) 3.900 1.900 1.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 8.148 ppm2 2.439 CV 1 ASSI { 105} (( segid " " and resid 199 and name H )) (( segid " " and resid 199 and name HB2 )) 3.300 1.400 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.54137E-02 ppm1 7.845 ppm2 2.958 CV 1 ASSI { 106} (( segid " " and resid 199 and name H )) (( segid " " and resid 199 and name HB3 )) 2.400 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.51317E-02 ppm1 7.845 ppm2 2.785 CV 1 ASSI { 107} (( segid " " and resid 199 and name H )) (( segid " " and resid 197 and name HB3 )) 2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.28927E-02 ppm1 7.844 ppm2 2.687 CV 1 ASSI { 108} (( segid " " and resid 199 and name H )) (( segid " " and resid 197 and name HB2 )) 4.000 2.000 2.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.89560E-03 ppm1 7.846 ppm2 2.435 CV 1 ASSI { 109} (( segid " " and resid 199 and name H )) (( segid " " and resid 126 and name HB3 )) 4.800 2.900 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.54119E-03 ppm1 7.846 ppm2 2.114 CV 1 ASSI { 110} (( segid " " and resid 199 and name H )) (( segid " " and resid 126 and name HB2 )) 4.700 2.700 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.64598E-03 ppm1 7.844 ppm2 1.818 CV 1 ASSI { 111} (( segid " " and resid 134 and name H )) (( segid " " and resid 134 and name HB2 )) 3.400 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.32966E-02 ppm1 8.189 ppm2 2.044 CV 1 ASSI { 112} (( segid " " and resid 134 and name H )) (( segid " " and resid 134 and name HB3 )) 2.900 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.55832E-02 ppm1 8.188 ppm2 1.912 CV 1 ASSI { 113} (( segid " " and resid 134 and name H )) (( segid " " and resid 133 and name HB3 )) 2.400 0.700 0.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.35540E-02 ppm1 8.189 ppm2 1.492 CV 1 ASSI { 114} (( segid " " and resid 134 and name H )) ( segid " " and resid 133 and name HD1%) 3.800 1.800 1.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25668E-02 ppm1 8.187 ppm2 0.798 CV 1 ASSI { 115} (( segid " " and resid 197 and name H )) (( segid " " and resid 196 and name H )) 2.900 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.18713E-02 ppm1 7.550 ppm2 8.344 CV 1 ASSI { 117} (( segid " " and resid 197 and name H )) (( segid " " and resid 199 and name H )) 5.400 3.700 0.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.34491E-03 ppm1 7.547 ppm2 7.829 CV 1 ASSI { 119} (( segid " " and resid 197 and name H )) ( segid " " and resid 197 and name HE% ) 4.900 3.000 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.48591E-03 ppm1 7.549 ppm2 7.124 CV 1 ASSI { 120} (( segid " " and resid 197 and name H )) ( segid " " and resid 197 and name HD% ) 3.400 1.500 1.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.17150E-02 ppm1 7.550 ppm2 7.005 CV 1 ASSI { 121} (( segid " " and resid 197 and name H )) ( segid " " and resid 127 and name HD% ) 2.700 2.700 3.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.60598E-03 ppm1 7.547 ppm2 6.848 CV 1 ASSI { 122} (( segid " " and resid 197 and name H )) (( segid " " and resid 195 and name HE )) 4.200 2.200 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 7.552 ppm2 6.715 CV 1 ASSI { 123} (( segid " " and resid 196 and name H )) ( segid " " and resid 127 and name HD% ) 5.200 3.300 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 8.343 ppm2 6.860 CV 1 ASSI { 125} (( segid " " and resid 197 and name H )) (( segid " " and resid 126 and name HA )) 3.300 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.85751E-03 ppm1 7.548 ppm2 4.190 CV 1 ASSI { 129} (( segid " " and resid 197 and name H )) (( segid " " and resid 195 and name HA )) 4.100 2.100 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.90514E-03 ppm1 7.548 ppm2 3.621 CV 1 ASSI { 130} (( segid " " and resid 196 and name H )) (( segid " " and resid 127 and name HB3 )) 4.800 2.900 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.44590E-03 ppm1 8.343 ppm2 2.795 CV 1 ASSI { 134} (( segid " " and resid 197 and name H )) (( segid " " and resid 126 and name HB3 )) 4.200 2.200 1.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.58310E-03 ppm1 7.548 ppm2 2.089 CV 1 ASSI { 135} (( segid " " and resid 197 and name H )) (( segid " " and resid 126 and name HB2 )) 3.700 1.800 1.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 7.550 ppm2 1.826 CV 1 ASSI { 136} (( segid " " and resid 197 and name H )) (( segid " " and resid 195 and name HB3 )) 4.400 2.400 1.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.51449E-03 ppm1 7.552 ppm2 1.508 CV 1 ASSI { 137} (( segid " " and resid 196 and name H )) (( segid " " and resid 195 and name HB3 )) 4.800 2.900 1.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 8.345 ppm2 1.500 CV 1 ASSI { 138} (( segid " " and resid 196 and name H )) (( segid " " and resid 195 and name HB2 )) 5.000 3.200 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.37731E-03 ppm1 8.344 ppm2 1.197 CV 1 ASSI { 139} (( segid " " and resid 197 and name H )) (( segid " " and resid 195 and name HB2 )) 3.000 3.000 3.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 7.551 ppm2 1.203 CV 1 ASSI { 141} (( segid " " and resid 197 and name H )) (( segid " " and resid 196 and name HB3 )) 2.500 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.20790E-02 ppm1 7.550 ppm2 0.828 CV 1 ASSI { 142} (( segid " " and resid 196 and name H )) (( segid " " and resid 196 and name HB2 )) 3.200 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.88038E-03 ppm1 8.343 ppm2 0.910 CV 1 ASSI { 143} (( segid " " and resid 196 and name H )) (( segid " " and resid 196 and name HB3 )) 2.900 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 8.343 ppm2 0.826 CV 1 ASSI { 144} (( segid " " and resid 196 and name H )) (( segid " " and resid 196 and name HG3 )) 5.000 3.100 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.46877E-03 ppm1 8.344 ppm2 0.210 CV 1 ASSI { 145} (( segid " " and resid 197 and name H )) (( segid " " and resid 196 and name HG3 )) 4.800 2.900 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.64027E-03 ppm1 7.547 ppm2 0.196 CV 1 ASSI { 146} (( segid " " and resid 197 and name H )) (( segid " " and resid 196 and name HG2 )) 3.800 1.800 1.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.63265E-03 ppm1 7.547 ppm2 0.150 CV 1 ASSI { 149} (( segid " " and resid 194 and name H )) (( segid " " and resid 128 and name H )) 3.500 1.500 1.500 peak 149 spectrum 1 weight 0.10000E+01 volume 0.64027E-03 ppm1 8.643 ppm2 8.874 CV 1 ASSI { 150} (( segid " " and resid 194 and name H )) (( segid " " and resid 130 and name H )) 4.200 2.200 1.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 8.642 ppm2 8.787 CV 1 ASSI { 151} (( segid " " and resid 62 and name H )) (( segid " " and resid 61 and name HE3 )) 3.800 1.800 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.65743E-03 ppm1 8.785 ppm2 7.526 CV 1 ASSI { 152} (( segid " " and resid 195 and name H )) (( segid " " and resid 194 and name HE )) 4.700 2.700 1.300 peak 152 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 8.783 ppm2 7.335 CV 1 ASSI { 153} (( segid " " and resid 195 and name H )) (( segid " " and resid 194 and name H )) 4.600 2.600 1.400 peak 153 spectrum 1 weight 0.10000E+01 volume 0.52594E-03 ppm1 8.777 ppm2 8.643 CV 1 ASSI { 154} (( segid " " and resid 62 and name H )) (( segid " " and resid 61 and name H )) 4.300 2.300 1.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.79272E-03 ppm1 8.784 ppm2 8.453 CV 1 ASSI { 156} (( segid " " and resid 195 and name H )) ( segid " " and resid 127 and name HD% ) 3.900 1.900 1.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.76605E-03 ppm1 8.783 ppm2 6.858 CV 1 ASSI { 157} (( segid " " and resid 195 and name H )) ( segid " " and resid 127 and name HE% ) 4.200 2.300 1.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.79463E-03 ppm1 8.780 ppm2 6.634 CV 1 ASSI { 158} (( segid " " and resid 194 and name H )) ( segid " " and resid 127 and name HE% ) 5.000 3.100 1.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.29916E-03 ppm1 8.645 ppm2 6.641 CV 1 ASSI { 159} (( segid " " and resid 194 and name H )) (( segid " " and resid 129 and name HA )) 3.700 1.700 1.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.50878E-03 ppm1 8.641 ppm2 5.568 CV 1 ASSI { 160} (( segid " " and resid 62 and name H )) ( segid " " and resid 50 and name HD% ) 4.800 2.900 1.200 peak 160 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 8.786 ppm2 5.504 CV 1 ASSI { 161} (( segid " " and resid 62 and name H )) (( segid " " and resid 61 and name HA )) 2.600 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.20733E-02 ppm1 8.785 ppm2 4.871 CV 1 ASSI { 162} (( segid " " and resid 195 and name H )) (( segid " " and resid 194 and name HA )) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.39235E-02 ppm1 8.780 ppm2 4.736 CV 1 ASSI { 164} (( segid " " and resid 194 and name H )) (( segid " " and resid 194 and name HA )) 3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 8.645 ppm2 4.742 CV 1 ASSI { 166} (( segid " " and resid 195 and name H )) (( segid " " and resid 195 and name HA )) 3.300 1.300 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.79272E-03 ppm1 8.784 ppm2 3.616 CV 1 ASSI { 167} (( segid " " and resid 62 and name H )) (( segid " " and resid 61 and name HB3 )) 3.900 1.900 1.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.63073E-03 ppm1 8.786 ppm2 3.164 CV 1 ASSI { 171} (( segid " " and resid 194 and name H )) (( segid " " and resid 193 and name HB2 )) 4.600 2.700 1.400 peak 171 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 8.643 ppm2 1.003 CV 1 ASSI { 172} (( segid " " and resid 194 and name H )) (( segid " " and resid 194 and name HB2 )) 2.900 1.000 1.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 8.643 ppm2 1.501 CV 1 ASSI { 174} (( segid " " and resid 194 and name H )) (( segid " " and resid 193 and name HB3 )) 4.500 2.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.56977E-03 ppm1 8.643 ppm2 1.835 CV 1 ASSI { 175} (( segid " " and resid 194 and name H )) (( segid " " and resid 194 and name HB3 )) 4.100 2.100 1.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.89180E-03 ppm1 8.644 ppm2 1.716 CV 1 ASSI { 177} (( segid " " and resid 195 and name H )) (( segid " " and resid 195 and name HB3 )) 2.600 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.31327E-02 ppm1 8.781 ppm2 1.500 CV 1 ASSI { 178} (( segid " " and resid 62 and name H )) (( segid " " and resid 62 and name HB3 )) 3.300 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 8.784 ppm2 1.420 CV 1 ASSI { 186} (( segid " " and resid 192 and name H )) (( segid " " and resid 130 and name H )) 3.500 1.500 1.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.62693E-03 ppm1 9.084 ppm2 8.789 CV 1 ASSI { 187} (( segid " " and resid 192 and name H )) (( segid " " and resid 132 and name H )) 4.400 2.400 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 9.086 ppm2 8.660 CV 1 ASSI { 188} (( segid " " and resid 192 and name H )) (( segid " " and resid 193 and name H )) 4.800 2.900 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 9.085 ppm2 7.889 CV 1 ASSI { 190} (( segid " " and resid 192 and name H )) (( segid " " and resid 129 and name HA )) 5.000 3.100 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.32012E-03 ppm1 9.082 ppm2 5.559 CV 1 ASSI { 192} (( segid " " and resid 192 and name H )) (( segid " " and resid 192 and name HA )) 3.700 1.700 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 9.081 ppm2 4.712 CV 1 ASSI { 193} (( segid " " and resid 192 and name H )) (( segid " " and resid 131 and name HA )) 4.300 2.300 1.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.33919E-03 ppm1 9.083 ppm2 4.437 CV 1 ASSI { 194} (( segid " " and resid 187 and name H )) (( segid " " and resid 186 and name HA )) 2.800 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.41409E-02 ppm1 9.098 ppm2 4.311 CV 1 ASSI { 196} (( segid " " and resid 187 and name H )) (( segid " " and resid 186 and name HB3 )) 2.600 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 9.094 ppm2 1.684 CV 1 ASSI { 199} (( segid " " and resid 192 and name H )) (( segid " " and resid 192 and name HG )) 2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.18389E-02 ppm1 9.083 ppm2 1.381 CV 1 OR { 199} (( segid " " and resid 192 and name H )) (( segid " " and resid 192 and name HB2 )) ASSI { 200} (( segid " " and resid 192 and name H )) (( segid " " and resid 191 and name HB3 )) 3.400 1.500 1.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.74889E-03 ppm1 9.079 ppm2 1.251 CV 1 ASSI { 203} (( segid " " and resid 193 and name H )) (( segid " " and resid 194 and name H )) 5.100 3.300 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 7.879 ppm2 8.653 CV 1 ASSI { 205} (( segid " " and resid 193 and name H )) (( segid " " and resid 91 and name H )) 3.800 1.800 1.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.40207E-03 ppm1 7.882 ppm2 9.212 CV 1 ASSI { 206} (( segid " " and resid 193 and name H )) (( segid " " and resid 90 and name HA )) 5.300 3.500 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.28203E-03 ppm1 7.887 ppm2 5.044 CV 1 ASSI { 207} (( segid " " and resid 193 and name H )) (( segid " " and resid 193 and name HA )) 3.300 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.93563E-03 ppm1 7.885 ppm2 4.864 CV 1 ASSI { 208} (( segid " " and resid 193 and name H )) (( segid " " and resid 192 and name HA )) 3.000 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.84989E-03 ppm1 7.884 ppm2 4.723 CV 1 ASSI { 209} (( segid " " and resid 193 and name H )) (( segid " " and resid 193 and name HB3 )) 3.000 1.100 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 7.885 ppm2 1.844 CV 1 ASSI { 210} (( segid " " and resid 193 and name H )) (( segid " " and resid 91 and name HB3 )) 3.700 1.700 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.63073E-03 ppm1 7.885 ppm2 1.709 CV 1 ASSI { 213} (( segid " " and resid 193 and name H )) (( segid " " and resid 193 and name HB2 )) 3.000 1.200 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 7.884 ppm2 1.013 CV 1 ASSI { 214} (( segid " " and resid 193 and name H )) ( segid " " and resid 192 and name HD2%) 2.100 2.100 3.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.28335E-02 ppm1 7.885 ppm2 0.717 CV 1 ASSI { 216} (( segid " " and resid 192 and name H )) (( segid " " and resid 191 and name H )) 4.300 2.300 1.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.37731E-03 ppm1 9.084 ppm2 8.425 CV 1 ASSI { 217} (( segid " " and resid 191 and name H )) (( segid " " and resid 91 and name H )) 4.100 2.100 1.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.42686E-03 ppm1 8.422 ppm2 9.213 CV 1 ASSI { 222} (( segid " " and resid 187 and name H )) (( segid " " and resid 186 and name HB2 )) 3.000 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.30947E-02 ppm1 9.097 ppm2 2.173 CV 1 ASSI { 224} (( segid " " and resid 187 and name H )) (( segid " " and resid 187 and name HB2 )) 2.500 0.800 0.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.31498E-02 ppm1 9.097 ppm2 1.884 CV 1 ASSI { 225} (( segid " " and resid 191 and name H )) (( segid " " and resid 191 and name HB3 )) 4.200 2.200 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.66885E-03 ppm1 8.421 ppm2 1.252 CV 1 ASSI { 229} (( segid " " and resid 192 and name H )) ( segid " " and resid 129 and name HD2%) 3.800 1.800 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.53356E-03 ppm1 9.082 ppm2 0.643 CV 1 ASSI { 230} (( segid " " and resid 190 and name H )) (( segid " " and resid 189 and name H )) 4.300 2.300 1.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.89751E-03 ppm1 8.632 ppm2 7.021 CV 1 ASSI { 231} (( segid " " and resid 110 and name H )) (( segid " " and resid 109 and name H )) 3.000 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.18922E-02 ppm1 7.020 ppm2 8.776 CV 1 ASSI { 233} (( segid " " and resid 110 and name H )) (( segid " " and resid 107 and name H )) 3.900 1.900 1.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.76794E-03 ppm1 7.021 ppm2 8.508 CV 1 ASSI { 234} (( segid " " and resid 110 and name H )) (( segid " " and resid 111 and name H )) 2.800 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 7.021 ppm2 8.418 CV 1 ASSI { 235} (( segid " " and resid 189 and name H )) (( segid " " and resid 188 and name H )) 3.100 1.200 1.200 peak 235 spectrum 1 weight 0.10000E+01 volume 0.80223E-03 ppm1 7.020 ppm2 7.784 CV 1 ASSI { 236} (( segid " " and resid 190 and name H )) (( segid " " and resid 191 and name H )) 5.200 3.400 0.800 peak 236 spectrum 1 weight 0.10000E+01 volume 0.37920E-03 ppm1 8.631 ppm2 8.437 CV 1 ASSI { 237} (( segid " " and resid 189 and name H )) (( segid " " and resid 187 and name H )) 5.200 3.400 0.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 7.022 ppm2 9.096 CV 1 ASSI { 239} (( segid " " and resid 110 and name H )) (( segid " " and resid 109 and name HA )) 3.300 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.13853E-02 ppm1 7.019 ppm2 3.791 CV 1 ASSI { 240} (( segid " " and resid 189 and name H )) (( segid " " and resid 188 and name HA )) 3.300 1.400 1.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.15702E-02 ppm1 7.021 ppm2 4.529 CV 1 ASSI { 241} (( segid " " and resid 110 and name H )) (( segid " " and resid 110 and name HA )) 2.900 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.29575E-02 ppm1 7.021 ppm2 4.380 CV 1 ASSI { 242} (( segid " " and resid 190 and name H )) (( segid " " and resid 189 and name HA )) 2.400 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.56194E-02 ppm1 8.631 ppm2 4.014 CV 1 ASSI { 243} (( segid " " and resid 190 and name H )) (( segid " " and resid 190 and name HB )) 2.800 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.29707E-02 ppm1 8.631 ppm2 3.895 CV 1 ASSI { 244} (( segid " " and resid 190 and name H )) (( segid " " and resid 190 and name HA )) 3.200 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 8.631 ppm2 4.546 CV 1 ASSI { 245} (( segid " " and resid 110 and name H )) (( segid " " and resid 108 and name HA )) 4.200 2.200 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.41732E-03 ppm1 7.023 ppm2 3.462 CV 1 ASSI { 246} (( segid " " and resid 189 and name H )) (( segid " " and resid 188 and name HB2 )) 4.500 2.500 1.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.53547E-03 ppm1 7.021 ppm2 3.250 CV 1 ASSI { 247} (( segid " " and resid 189 and name H )) (( segid " " and resid 188 and name HB3 )) 4.600 2.700 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 7.022 ppm2 3.048 CV 1 ASSI { 248} (( segid " " and resid 110 and name H )) (( segid " " and resid 110 and name HB2 )) 2.600 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.26965E-02 ppm1 7.020 ppm2 2.674 CV 1 ASSI { 249} (( segid " " and resid 110 and name H )) (( segid " " and resid 110 and name HB3 )) 2.900 1.000 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.29764E-02 ppm1 7.021 ppm2 2.595 CV 1 ASSI { 250} (( segid " " and resid 110 and name H )) (( segid " " and resid 108 and name HB )) 5.100 3.300 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 7.021 ppm2 2.322 CV 1 ASSI { 251} (( segid " " and resid 189 and name H )) (( segid " " and resid 186 and name HG2 )) 4.800 2.800 1.200 peak 251 spectrum 1 weight 0.10000E+01 volume 0.86322E-03 ppm1 7.022 ppm2 2.195 CV 1 ASSI { 252} (( segid " " and resid 189 and name H )) (( segid " " and resid 189 and name HG3 )) 2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.23839E-02 ppm1 7.021 ppm2 2.026 CV 1 ASSI { 253} (( segid " " and resid 189 and name H )) (( segid " " and resid 189 and name HG2 )) 2.700 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.37310E-02 ppm1 7.022 ppm2 1.840 CV 1 OR { 253} (( segid " " and resid 189 and name H )) (( segid " " and resid 189 and name HB3 )) ASSI { 254} (( segid " " and resid 110 and name H )) (( segid " " and resid 111 and name HB2 )) 4.400 2.400 1.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.89751E-03 ppm1 7.023 ppm2 1.717 CV 1 ASSI { 255} (( segid " " and resid 110 and name H )) (( segid " " and resid 106 and name HD3 )) 4.500 2.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.53927E-03 ppm1 7.020 ppm2 1.499 CV 1 ASSI { 257} (( segid " " and resid 110 and name H )) ( segid " " and resid 108 and name HG2%) 5.500 3.700 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.37920E-03 ppm1 7.022 ppm2 0.933 CV 1 ASSI { 258} (( segid " " and resid 189 and name H )) ( segid " " and resid 191 and name HD1%) 3.400 1.400 1.400 peak 258 spectrum 1 weight 0.10000E+01 volume 0.15511E-02 ppm1 7.021 ppm2 0.759 CV 1 ASSI { 260} (( segid " " and resid 190 and name H )) ( segid " " and resid 191 and name HD2%) 4.000 2.000 2.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.89943E-03 ppm1 8.631 ppm2 0.755 CV 1 ASSI { 262} (( segid " " and resid 190 and name H )) (( segid " " and resid 189 and name HB3 )) 3.300 1.300 1.300 peak 262 spectrum 1 weight 0.10000E+01 volume 0.19913E-02 ppm1 8.632 ppm2 1.837 CV 1 ASSI { 263} (( segid " " and resid 191 and name H )) (( segid " " and resid 89 and name HB3 )) 3.700 1.700 1.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.60026E-03 ppm1 8.420 ppm2 1.812 CV 1 ASSI { 264} (( segid " " and resid 191 and name H )) (( segid " " and resid 191 and name HB2 )) 2.900 1.100 1.100 peak 264 spectrum 1 weight 0.10000E+01 volume 0.15511E-02 ppm1 8.421 ppm2 1.634 CV 1 OR { 264} (( segid " " and resid 191 and name H )) (( segid " " and resid 191 and name HG )) ASSI { 265} (( segid " " and resid 186 and name H )) (( segid " " and resid 187 and name H )) 4.800 2.800 1.200 peak 265 spectrum 1 weight 0.10000E+01 volume 0.44781E-03 ppm1 8.814 ppm2 9.094 CV 1 ASSI { 266} (( segid " " and resid 185 and name H )) (( segid " " and resid 186 and name H )) 5.000 3.100 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 7.338 ppm2 8.815 CV 1 ASSI { 267} (( segid " " and resid 185 and name H )) (( segid " " and resid 184 and name H )) 2.700 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.21952E-02 ppm1 7.338 ppm2 7.702 CV 1 ASSI { 269} (( segid " " and resid 185 and name H )) (( segid " " and resid 183 and name H )) 4.000 2.000 2.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.70506E-03 ppm1 7.339 ppm2 7.159 CV 1 ASSI { 270} (( segid " " and resid 186 and name H )) (( segid " " and resid 189 and name H )) 4.500 2.500 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.40398E-03 ppm1 8.814 ppm2 7.026 CV 1 ASSI { 271} (( segid " " and resid 185 and name H )) (( segid " " and resid 184 and name HA3 )) 3.600 1.600 1.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.11300E-02 ppm1 7.337 ppm2 4.039 CV 1 ASSI { 273} (( segid " " and resid 185 and name H )) (( segid " " and resid 185 and name HA )) 2.900 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.21533E-02 ppm1 7.339 ppm2 3.841 CV 1 ASSI { 274} (( segid " " and resid 185 and name H )) (( segid " " and resid 184 and name HA2 )) 3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.11148E-02 ppm1 7.339 ppm2 3.657 CV 1 ASSI { 275} (( segid " " and resid 185 and name H )) (( segid " " and resid 183 and name HA )) 4.700 2.800 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.46306E-03 ppm1 7.338 ppm2 4.495 CV 1 ASSI { 281} (( segid " " and resid 186 and name H )) (( segid " " and resid 189 and name HG3 )) 3.600 1.600 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.50307E-03 ppm1 8.815 ppm2 2.032 CV 1 ASSI { 282} (( segid " " and resid 186 and name H )) (( segid " " and resid 189 and name HG2 )) 4.200 2.200 1.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.49353E-03 ppm1 8.813 ppm2 1.849 CV 1 OR { 282} (( segid " " and resid 186 and name H )) (( segid " " and resid 189 and name HB3 )) ASSI { 283} (( segid " " and resid 186 and name H )) (( segid " " and resid 185 and name HB )) 2.800 1.000 1.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.16312E-02 ppm1 8.815 ppm2 1.699 CV 1 ASSI { 284} (( segid " " and resid 185 and name H )) (( segid " " and resid 185 and name HB )) 3.400 1.400 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.28487E-02 ppm1 7.339 ppm2 1.688 CV 1 ASSI { 285} (( segid " " and resid 185 and name H )) (( segid " " and resid 183 and name HB3 )) 4.400 2.500 1.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.55261E-03 ppm1 7.338 ppm2 2.048 CV 1 ASSI { 287} (( segid " " and resid 185 and name H )) (( segid " " and resid 180 and name HB3 )) 4.400 2.400 1.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.67077E-03 ppm1 7.337 ppm2 1.165 CV 1 ASSI { 289} (( segid " " and resid 184 and name H )) (( segid " " and resid 183 and name H )) 2.700 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.20294E-02 ppm1 7.701 ppm2 7.158 CV 1 ASSI { 290} (( segid " " and resid 184 and name H )) (( segid " " and resid 182 and name H )) 4.300 2.300 1.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 7.702 ppm2 7.997 CV 1 ASSI { 294} (( segid " " and resid 183 and name H )) (( segid " " and resid 183 and name HE21)) 4.600 2.700 1.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.43448E-03 ppm1 7.158 ppm2 6.510 CV 1 ASSI { 296} (( segid " " and resid 183 and name H )) (( segid " " and resid 182 and name HA )) 3.600 1.600 1.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 7.157 ppm2 4.384 CV 1 ASSI { 299} (( segid " " and resid 184 and name H )) (( segid " " and resid 184 and name HA3 )) 3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.31022E-02 ppm1 7.701 ppm2 4.044 CV 1 ASSI { 302} (( segid " " and resid 183 and name H )) (( segid " " and resid 181 and name HA )) 4.300 2.300 1.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.44970E-03 ppm1 7.157 ppm2 3.981 CV 1 ASSI { 303} (( segid " " and resid 183 and name H )) (( segid " " and resid 180 and name HA )) 3.500 1.600 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 7.159 ppm2 3.841 CV 1 ASSI { 304} (( segid " " and resid 183 and name H )) (( segid " " and resid 184 and name HA2 )) 5.100 3.200 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 7.157 ppm2 3.660 CV 1 ASSI { 305} (( segid " " and resid 184 and name H )) (( segid " " and resid 184 and name HA2 )) 2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.30394E-02 ppm1 7.702 ppm2 3.656 CV 1 ASSI { 307} (( segid " " and resid 185 and name H )) (( segid " " and resid 57 and name HE2 )) 3.000 3.000 3.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.31441E-03 ppm1 7.337 ppm2 2.938 CV 1 ASSI { 308} (( segid " " and resid 185 and name H )) (( segid " " and resid 183 and name HG3 )) 5.500 3.800 0.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.26678E-03 ppm1 7.341 ppm2 2.544 CV 1 ASSI { 309} (( segid " " and resid 184 and name H )) (( segid " " and resid 183 and name HG3 )) 4.700 2.700 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 7.702 ppm2 2.556 CV 1 ASSI { 310} (( segid " " and resid 183 and name H )) (( segid " " and resid 183 and name HG3 )) 2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 7.159 ppm2 2.544 CV 1 ASSI { 311} (( segid " " and resid 183 and name H )) (( segid " " and resid 183 and name HG2 )) 3.600 1.600 1.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.19589E-02 ppm1 7.158 ppm2 2.215 CV 1 ASSI { 312} (( segid " " and resid 183 and name H )) (( segid " " and resid 183 and name HB3 )) 3.700 1.800 1.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.18046E-02 ppm1 7.158 ppm2 2.056 CV 1 ASSI { 313} (( segid " " and resid 183 and name H )) (( segid " " and resid 182 and name HB2 )) 4.300 2.300 1.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.88609E-03 ppm1 7.159 ppm2 1.947 CV 1 ASSI { 314} (( segid " " and resid 184 and name H )) (( segid " " and resid 182 and name HB3 )) 4.700 2.800 1.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.32586E-03 ppm1 7.697 ppm2 2.302 CV 1 ASSI { 315} (( segid " " and resid 184 and name H )) (( segid " " and resid 183 and name HG2 )) 4.600 2.600 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.67265E-03 ppm1 7.700 ppm2 2.219 CV 1 ASSI { 316} (( segid " " and resid 184 and name H )) (( segid " " and resid 183 and name HB3 )) 4.400 2.500 1.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.60215E-03 ppm1 7.701 ppm2 2.060 CV 1 ASSI { 317} (( segid " " and resid 184 and name H )) (( segid " " and resid 182 and name HB2 )) 2.900 2.900 3.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.38491E-03 ppm1 7.701 ppm2 1.939 CV 1 ASSI { 319} (( segid " " and resid 184 and name H )) (( segid " " and resid 57 and name HG3 )) 4.900 3.000 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.77556E-03 ppm1 7.698 ppm2 1.453 CV 1 ASSI { 320} (( segid " " and resid 183 and name H )) (( segid " " and resid 57 and name HD3 )) 4.800 2.800 1.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.50498E-03 ppm1 7.158 ppm2 1.666 CV 1 OR { 320} (( segid " " and resid 183 and name H )) (( segid " " and resid 57 and name HD2 )) ASSI { 323} (( segid " " and resid 181 and name H )) (( segid " " and resid 182 and name H )) 3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.92039E-03 ppm1 8.730 ppm2 7.995 CV 1 ASSI { 325} (( segid " " and resid 182 and name H )) (( segid " " and resid 183 and name H )) 2.700 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.15664E-02 ppm1 7.991 ppm2 7.158 CV 1 ASSI { 327} (( segid " " and resid 182 and name H )) (( segid " " and resid 183 and name HA )) 5.300 3.600 0.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.46306E-03 ppm1 7.993 ppm2 4.484 CV 1 ASSI { 328} (( segid " " and resid 182 and name H )) (( segid " " and resid 182 and name HA )) 3.000 1.200 1.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.19475E-02 ppm1 7.991 ppm2 4.381 CV 1 ASSI { 329} (( segid " " and resid 182 and name H )) (( segid " " and resid 179 and name HA )) 5.000 3.100 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.31061E-03 ppm1 7.993 ppm2 4.585 CV 1 ASSI { 330} (( segid " " and resid 181 and name H )) (( segid " " and resid 179 and name HB )) 4.700 2.800 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.60026E-03 ppm1 8.731 ppm2 4.715 CV 1 ASSI { 331} (( segid " " and resid 181 and name H )) (( segid " " and resid 179 and name HA )) 5.100 3.200 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.41161E-03 ppm1 8.734 ppm2 4.579 CV 1 ASSI { 333} (( segid " " and resid 182 and name H )) (( segid " " and resid 181 and name HA )) 3.500 1.500 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.92610E-03 ppm1 7.989 ppm2 3.979 CV 1 ASSI { 334} (( segid " " and resid 182 and name H )) (( segid " " and resid 180 and name HA )) 4.000 2.000 2.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 7.990 ppm2 3.837 CV 1 ASSI { 337} (( segid " " and resid 181 and name H )) (( segid " " and resid 181 and name HD3 )) 5.700 4.000 0.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.42494E-03 ppm1 8.729 ppm2 3.194 CV 1 ASSI { 338} (( segid " " and resid 182 and name H )) (( segid " " and resid 182 and name HG2 )) 4.300 2.300 1.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 7.990 ppm2 2.562 CV 1 ASSI { 339} (( segid " " and resid 182 and name H )) (( segid " " and resid 182 and name HB3 )) 2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 7.990 ppm2 2.318 CV 1 ASSI { 340} (( segid " " and resid 182 and name H )) (( segid " " and resid 182 and name HG3 )) 4.100 2.100 1.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 7.990 ppm2 2.224 CV 1 ASSI { 341} (( segid " " and resid 182 and name H )) (( segid " " and resid 181 and name HB2 )) 4.000 2.000 2.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 7.994 ppm2 2.079 CV 1 ASSI { 342} (( segid " " and resid 182 and name H )) (( segid " " and resid 182 and name HB2 )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.18274E-02 ppm1 7.991 ppm2 1.942 CV 1 ASSI { 345} (( segid " " and resid 182 and name H )) (( segid " " and resid 181 and name HG2 )) 3.800 1.800 1.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.69935E-03 ppm1 7.993 ppm2 1.557 CV 1 ASSI { 346} (( segid " " and resid 112 and name H )) (( segid " " and resid 111 and name HG2 )) 3.800 1.800 1.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.65552E-03 ppm1 8.755 ppm2 2.573 CV 1 ASSI { 349} (( segid " " and resid 181 and name H )) ( segid " " and resid 179 and name HG2%) 3.600 1.600 1.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 8.730 ppm2 1.174 CV 1 ASSI { 350} (( segid " " and resid 181 and name H )) (( segid " " and resid 181 and name HB2 )) 3.000 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 8.731 ppm2 2.080 CV 1 ASSI { 351} (( segid " " and resid 112 and name H )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.11738E-02 ppm1 8.751 ppm2 2.021 CV 1 ASSI { 352} (( segid " " and resid 181 and name H )) (( segid " " and resid 180 and name HB2 )) 3.000 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.11986E-02 ppm1 8.742 ppm2 1.933 CV 1 ASSI { 353} (( segid " " and resid 112 and name H )) (( segid " " and resid 112 and name HB3 )) 3.000 1.100 1.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.32775E-02 ppm1 8.751 ppm2 1.775 CV 1 ASSI { 357} (( segid " " and resid 112 and name H )) (( segid " " and resid 111 and name HG3 )) 5.000 3.100 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.44399E-03 ppm1 8.751 ppm2 2.236 CV 1 ASSI { 359} (( segid " " and resid 182 and name H )) ( segid " " and resid 185 and name HG1%) 5.800 4.100 0.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.39636E-03 ppm1 7.983 ppm2 0.698 CV 1 ASSI { 360} (( segid " " and resid 112 and name H )) (( segid " " and resid 111 and name H )) 2.900 1.000 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 8.751 ppm2 8.417 CV 1 ASSI { 361} (( segid " " and resid 181 and name H )) (( segid " " and resid 180 and name H )) 3.200 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.67077E-03 ppm1 8.729 ppm2 8.964 CV 1 ASSI { 363} (( segid " " and resid 180 and name H )) (( segid " " and resid 179 and name HB )) 4.200 2.200 1.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.66694E-03 ppm1 8.964 ppm2 4.725 CV 1 ASSI { 366} (( segid " " and resid 179 and name H )) (( segid " " and resid 179 and name HB )) 4.300 2.300 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.32586E-03 ppm1 9.361 ppm2 4.722 CV 1 ASSI { 368} (( segid " " and resid 180 and name H )) (( segid " " and resid 180 and name HA )) 3.400 1.400 1.400 peak 368 spectrum 1 weight 0.10000E+01 volume 0.75080E-03 ppm1 8.964 ppm2 3.832 CV 1 ASSI { 370} (( segid " " and resid 179 and name H )) (( segid " " and resid 182 and name HB3 )) 4.600 2.600 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.39445E-03 ppm1 9.363 ppm2 2.323 CV 1 ASSI { 372} (( segid " " and resid 179 and name H )) (( segid " " and resid 178 and name HB3 )) 4.000 2.000 2.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.61931E-03 ppm1 9.359 ppm2 2.001 CV 1 ASSI { 373} (( segid " " and resid 179 and name H )) (( segid " " and resid 178 and name HG2 )) 4.300 2.300 1.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.38302E-03 ppm1 9.359 ppm2 1.626 CV 1 ASSI { 374} (( segid " " and resid 179 and name H )) (( segid " " and resid 178 and name HG3 )) 3.400 1.400 1.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.56215E-03 ppm1 9.358 ppm2 1.517 CV 1 ASSI { 375} (( segid " " and resid 180 and name H )) (( segid " " and resid 180 and name HG )) 2.500 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.12138E-02 ppm1 8.963 ppm2 1.689 CV 1 ASSI { 376} (( segid " " and resid 180 and name H )) (( segid " " and resid 180 and name HB2 )) 3.400 1.400 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.81177E-03 ppm1 8.963 ppm2 1.933 CV 1 ASSI { 379} (( segid " " and resid 180 and name H )) ( segid " " and resid 180 and name HD1%) 4.400 2.400 1.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 8.965 ppm2 0.742 CV 1 ASSI { 382} (( segid " " and resid 178 and name H )) (( segid " " and resid 177 and name H )) 2.600 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 7.020 ppm2 8.775 CV 1 ASSI { 384} (( segid " " and resid 178 and name H )) (( segid " " and resid 176 and name H )) 5.000 3.200 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.34111E-03 ppm1 7.023 ppm2 9.305 CV 1 ASSI { 385} (( segid " " and resid 177 and name H )) (( segid " " and resid 176 and name H )) 3.400 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 8.774 ppm2 9.295 CV 1 ASSI { 386} (( segid " " and resid 178 and name H )) (( segid " " and resid 108 and name H )) 4.300 2.300 1.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 7.021 ppm2 7.902 CV 1 ASSI { 388} (( segid " " and resid 179 and name H )) (( segid " " and resid 182 and name H )) 5.700 4.100 0.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.25153E-03 ppm1 9.363 ppm2 7.986 CV 1 ASSI { 389} (( segid " " and resid 179 and name H )) (( segid " " and resid 178 and name H )) 4.700 2.700 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.31441E-03 ppm1 9.352 ppm2 7.025 CV 1 ASSI { 390} (( segid " " and resid 178 and name H )) (( segid " " and resid 183 and name HE21)) 4.400 2.500 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.26869E-03 ppm1 7.027 ppm2 6.515 CV 1 ASSI { 391} (( segid " " and resid 178 and name H )) (( segid " " and resid 177 and name HA3 )) 3.800 1.800 1.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10995E-02 ppm1 7.021 ppm2 4.383 CV 1 ASSI { 392} (( segid " " and resid 178 and name H )) (( segid " " and resid 176 and name HA )) 4.300 2.300 1.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.50878E-03 ppm1 7.021 ppm2 4.253 CV 1 ASSI { 393} (( segid " " and resid 178 and name H )) (( segid " " and resid 175 and name HA )) 2.900 2.900 3.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.41352E-03 ppm1 7.019 ppm2 4.623 CV 1 ASSI { 395} (( segid " " and resid 177 and name H )) (( segid " " and resid 175 and name HA )) 3.800 1.800 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.99089E-03 ppm1 8.776 ppm2 4.626 CV 1 ASSI { 396} (( segid " " and resid 177 and name H )) (( segid " " and resid 177 and name HA3 )) 2.900 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.26143E-02 ppm1 8.775 ppm2 4.378 CV 1 ASSI { 397} (( segid " " and resid 177 and name H )) (( segid " " and resid 176 and name HA )) 3.200 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.62885E-03 ppm1 8.774 ppm2 4.254 CV 1 ASSI { 398} (( segid " " and resid 177 and name H )) (( segid " " and resid 177 and name HA2 )) 3.000 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.30795E-02 ppm1 8.774 ppm2 3.704 CV 1 ASSI { 399} (( segid " " and resid 177 and name H )) (( segid " " and resid 176 and name HB3 )) 4.100 2.100 1.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 8.772 ppm2 3.514 CV 1 ASSI { 401} (( segid " " and resid 177 and name H )) (( segid " " and resid 176 and name HB2 )) 3.800 1.800 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.71648E-03 ppm1 8.775 ppm2 3.024 CV 1 ASSI { 403} (( segid " " and resid 178 and name H )) (( segid " " and resid 175 and name HB2 )) 2.600 2.600 3.400 peak 403 spectrum 1 weight 0.10000E+01 volume 0.78701E-03 ppm1 7.019 ppm2 2.593 CV 1 OR { 403} (( segid " " and resid 178 and name H )) (( segid " " and resid 175 and name HB3 )) ASSI { 404} (( segid " " and resid 177 and name H )) (( segid " " and resid 175 and name HB2 )) 4.100 2.100 1.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.39827E-03 ppm1 8.778 ppm2 2.601 CV 1 OR { 404} (( segid " " and resid 177 and name H )) (( segid " " and resid 175 and name HB3 )) ASSI { 405} (( segid " " and resid 177 and name H )) (( segid " " and resid 108 and name HB )) 5.100 3.300 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.30108E-03 ppm1 8.775 ppm2 2.335 CV 1 ASSI { 406} (( segid " " and resid 178 and name H )) (( segid " " and resid 108 and name HB )) 5.400 3.600 0.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.36778E-03 ppm1 7.019 ppm2 2.325 CV 1 ASSI { 407} (( segid " " and resid 178 and name H )) (( segid " " and resid 178 and name HB3 )) 3.300 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.81748E-03 ppm1 7.021 ppm2 2.002 CV 1 ASSI { 408} (( segid " " and resid 177 and name H )) (( segid " " and resid 178 and name HG3 )) 5.900 4.300 0.100 peak 408 spectrum 1 weight 0.10000E+01 volume 0.33919E-03 ppm1 8.772 ppm2 1.508 CV 1 ASSI { 409} (( segid " " and resid 177 and name H )) ( segid " " and resid 107 and name HG2%) 4.600 2.700 1.400 peak 409 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 8.776 ppm2 1.203 CV 1 ASSI { 411} (( segid " " and resid 178 and name H )) (( segid " " and resid 178 and name HG2 )) 4.000 2.000 2.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.89560E-03 ppm1 7.018 ppm2 1.625 CV 1 ASSI { 412} (( segid " " and resid 178 and name H )) (( segid " " and resid 178 and name HG3 )) 3.700 1.800 1.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 7.021 ppm2 1.516 CV 1 ASSI { 417} (( segid " " and resid 175 and name H )) (( segid " " and resid 183 and name HE22)) 4.800 2.900 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.53356E-03 ppm1 9.118 ppm2 7.271 CV 1 ASSI { 418} (( segid " " and resid 175 and name H )) (( segid " " and resid 183 and name HE21)) 5.400 3.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.28394E-03 ppm1 9.120 ppm2 6.512 CV 1 ASSI { 419} (( segid " " and resid 176 and name H )) (( segid " " and resid 176 and name HA )) 3.700 1.700 1.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 9.290 ppm2 4.252 CV 1 ASSI { 425} (( segid " " and resid 176 and name H )) (( segid " " and resid 175 and name HB2 )) 4.700 2.800 1.300 peak 425 spectrum 1 weight 0.10000E+01 volume 0.37158E-03 ppm1 9.288 ppm2 2.589 CV 1 OR { 425} (( segid " " and resid 176 and name H )) (( segid " " and resid 175 and name HB3 )) ASSI { 427} (( segid " " and resid 175 and name H )) (( segid " " and resid 174 and name HB3 )) 3.900 1.900 1.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.89560E-03 ppm1 9.119 ppm2 1.631 CV 1 ASSI { 430} (( segid " " and resid 175 and name H )) ( segid " " and resid 174 and name HD2%) 4.400 2.400 1.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 9.120 ppm2 0.673 CV 1 OR { 430} (( segid " " and resid 175 and name H )) ( segid " " and resid 174 and name HD1%) ASSI { 431} (( segid " " and resid 174 and name H )) (( segid " " and resid 130 and name H )) 4.700 2.800 1.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25725E-03 ppm1 8.427 ppm2 8.798 CV 1 ASSI { 432} (( segid " " and resid 174 and name H )) (( segid " " and resid 175 and name H )) 5.100 3.200 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.36778E-03 ppm1 8.424 ppm2 9.120 CV 1 ASSI { 434} (( segid " " and resid 173 and name H )) (( segid " " and resid 172 and name H )) 3.500 1.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 7.716 ppm2 8.337 CV 1 ASSI { 435} (( segid " " and resid 174 and name H )) (( segid " " and resid 173 and name H )) 4.300 2.300 1.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.46686E-03 ppm1 8.426 ppm2 7.715 CV 1 ASSI { 436} (( segid " " and resid 174 and name H )) (( segid " " and resid 173 and name HE3 )) 2.800 2.800 3.200 peak 436 spectrum 1 weight 0.10000E+01 volume 0.53547E-03 ppm1 8.419 ppm2 7.559 CV 1 ASSI { 437} (( segid " " and resid 173 and name H )) (( segid " " and resid 173 and name HE3 )) 5.900 4.400 0.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 7.717 ppm2 7.562 CV 1 ASSI { 438} (( segid " " and resid 174 and name H )) (( segid " " and resid 173 and name HD1 )) 3.000 3.000 3.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 8.426 ppm2 7.261 CV 1 ASSI { 441} (( segid " " and resid 173 and name H )) (( segid " " and resid 173 and name HA )) 2.900 1.000 1.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.19170E-02 ppm1 7.717 ppm2 4.651 CV 1 ASSI { 442} (( segid " " and resid 174 and name H )) (( segid " " and resid 173 and name HA )) 2.500 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.20447E-02 ppm1 8.422 ppm2 4.649 CV 1 ASSI { 443} (( segid " " and resid 173 and name H )) (( segid " " and resid 130 and name HA )) 4.800 2.900 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 7.720 ppm2 4.404 CV 1 ASSI { 444} (( segid " " and resid 173 and name H )) (( segid " " and resid 171 and name HA )) 4.500 2.500 1.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.98900E-03 ppm1 7.717 ppm2 4.170 CV 1 ASSI { 445} (( segid " " and resid 174 and name H )) (( segid " " and resid 130 and name HA )) 3.000 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.75269E-03 ppm1 8.420 ppm2 4.401 CV 1 ASSI { 448} (( segid " " and resid 173 and name H )) (( segid " " and resid 173 and name HB3 )) 3.900 1.900 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.24963E-02 ppm1 7.716 ppm2 3.537 CV 1 ASSI { 449} (( segid " " and resid 174 and name H )) (( segid " " and resid 173 and name HB2 )) 4.600 2.700 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.62693E-03 ppm1 8.423 ppm2 2.998 CV 1 ASSI { 450} (( segid " " and resid 173 and name H )) (( segid " " and resid 173 and name HB2 )) 2.500 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.33558E-02 ppm1 7.717 ppm2 3.002 CV 1 ASSI { 453} (( segid " " and resid 174 and name H )) (( segid " " and resid 174 and name HB3 )) 3.500 1.500 1.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.17017E-02 ppm1 8.423 ppm2 1.620 CV 1 ASSI { 454} (( segid " " and resid 174 and name H )) (( segid " " and resid 174 and name HB2 )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.83844E-03 ppm1 8.424 ppm2 1.249 CV 1 ASSI { 455} (( segid " " and resid 173 and name H )) (( segid " " and resid 130 and name HB )) 5.000 3.100 1.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.50498E-03 ppm1 7.716 ppm2 1.631 CV 1 ASSI { 456} (( segid " " and resid 173 and name H )) (( segid " " and resid 171 and name HB2 )) 4.300 2.300 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.54881E-03 ppm1 7.718 ppm2 1.363 CV 1 ASSI { 457} (( segid " " and resid 173 and name H )) (( segid " " and resid 171 and name HB3 )) 5.200 3.400 0.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.48020E-03 ppm1 7.718 ppm2 0.888 CV 1 ASSI { 461} (( segid " " and resid 174 and name H )) ( segid " " and resid 174 and name HD2%) 3.100 1.200 1.200 peak 461 spectrum 1 weight 0.10000E+01 volume 0.18846E-02 ppm1 8.423 ppm2 0.671 CV 1 ASSI { 462} (( segid " " and resid 174 and name H )) ( segid " " and resid 130 and name HG2%) 4.900 3.100 1.100 peak 462 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 8.425 ppm2 0.485 CV 1 ASSI { 464} (( segid " " and resid 174 and name H )) ( segid " " and resid 130 and name HG1%) 2.900 2.900 3.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.44970E-03 ppm1 8.418 ppm2 0.222 CV 1 ASSI { 468} (( segid " " and resid 172 and name H )) (( segid " " and resid 173 and name HD1 )) 4.700 2.700 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.29154E-03 ppm1 8.334 ppm2 7.269 CV 1 ASSI { 469} (( segid " " and resid 172 and name H )) (( segid " " and resid 172 and name HD22)) 4.100 2.100 1.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 8.335 ppm2 6.987 CV 1 ASSI { 472} (( segid " " and resid 201 and name H )) (( segid " " and resid 201 and name HA )) 2.400 0.700 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.79861E-02 ppm1 8.173 ppm2 4.579 CV 1 ASSI { 476} (( segid " " and resid 133 and name H )) (( segid " " and resid 132 and name HA )) 2.200 0.600 0.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.71116E-02 ppm1 8.207 ppm2 4.124 CV 1 ASSI { 477} (( segid " " and resid 201 and name H )) (( segid " " and resid 200 and name HB2 )) 3.400 1.400 1.400 peak 477 spectrum 1 weight 0.10000E+01 volume 0.47619E-02 ppm1 8.173 ppm2 3.815 CV 1 ASSI { 479} (( segid " " and resid 172 and name H )) (( segid " " and resid 172 and name HB3 )) 3.400 1.500 1.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.33824E-02 ppm1 8.334 ppm2 2.628 CV 1 ASSI { 481} (( segid " " and resid 201 and name H )) (( segid " " and resid 201 and name HB3 )) 2.600 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.54708E-02 ppm1 8.173 ppm2 2.661 CV 1 ASSI { 482} (( segid " " and resid 201 and name H )) (( segid " " and resid 201 and name HB2 )) 2.500 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.83939E-02 ppm1 8.173 ppm2 2.607 CV 1 ASSI { 484} (( segid " " and resid 171 and name H )) (( segid " " and resid 170 and name HG2 )) 3.800 1.800 1.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.19989E-02 ppm1 8.189 ppm2 2.125 CV 1 ASSI { 486} (( segid " " and resid 171 and name H )) (( segid " " and resid 170 and name HB3 )) 2.300 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.41140E-02 ppm1 8.192 ppm2 1.946 CV 1 ASSI { 489} (( segid " " and resid 171 and name H )) (( segid " " and resid 170 and name HB2 )) 3.300 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.27497E-02 ppm1 8.186 ppm2 1.797 CV 1 ASSI { 490} (( segid " " and resid 172 and name H )) (( segid " " and resid 170 and name HB3 )) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.44590E-03 ppm1 8.331 ppm2 1.950 CV 1 ASSI { 491} (( segid " " and resid 172 and name H )) (( segid " " and resid 171 and name HB2 )) 2.900 1.000 1.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 8.334 ppm2 1.370 CV 1 ASSI { 493} (( segid " " and resid 173 and name H )) (( segid " " and resid 171 and name HG )) 5.600 4.000 0.400 peak 493 spectrum 1 weight 0.10000E+01 volume 0.42874E-03 ppm1 7.718 ppm2 1.435 CV 1 ASSI { 494} (( segid " " and resid 171 and name H )) (( segid " " and resid 171 and name HG )) 2.000 0.500 0.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.68733E-02 ppm1 8.187 ppm2 1.431 CV 1 ASSI { 495} (( segid " " and resid 171 and name H )) (( segid " " and resid 171 and name HB2 )) 2.300 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.52651E-02 ppm1 8.186 ppm2 1.367 CV 1 ASSI { 496} (( segid " " and resid 172 and name H )) (( segid " " and resid 171 and name HB3 )) 3.700 1.800 1.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.15645E-02 ppm1 8.335 ppm2 0.871 CV 1 ASSI { 497} (( segid " " and resid 172 and name H )) ( segid " " and resid 171 and name HD1%) 4.900 3.000 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.11643E-02 ppm1 8.332 ppm2 0.698 CV 1 ASSI { 500} (( segid " " and resid 171 and name H )) (( segid " " and resid 171 and name HB3 )) 3.200 1.300 1.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.37253E-02 ppm1 8.187 ppm2 0.872 CV 1 ASSI { 501} (( segid " " and resid 133 and name H )) ( segid " " and resid 133 and name HD2%) 3.300 1.400 1.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.26487E-02 ppm1 8.208 ppm2 0.800 CV 1 OR { 501} (( segid " " and resid 133 and name H )) ( segid " " and resid 133 and name HD1%) ASSI { 504} (( segid " " and resid 170 and name H )) (( segid " " and resid 169 and name H )) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.52364E-02 ppm1 7.909 ppm2 8.326 CV 1 ASSI { 505} (( segid " " and resid 170 and name H )) (( segid " " and resid 171 and name H )) 3.400 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.26278E-02 ppm1 7.911 ppm2 8.189 CV 1 ASSI { 507} (( segid " " and resid 169 and name H )) (( segid " " and resid 138 and name H )) 2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.42551E-02 ppm1 8.323 ppm2 8.083 CV 1 ASSI { 508} (( segid " " and resid 170 and name H )) (( segid " " and resid 169 and name HA )) 2.200 0.600 0.600 peak 508 spectrum 1 weight 0.10000E+01 volume 0.89447E-02 ppm1 7.910 ppm2 4.462 CV 1 ASSI { 509} (( segid " " and resid 170 and name H )) (( segid " " and resid 170 and name HA )) 2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.74623E-02 ppm1 7.910 ppm2 4.204 CV 1 ASSI { 510} (( segid " " and resid 169 and name H )) (( segid " " and resid 169 and name HA )) 1.900 0.400 0.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.11776E-01 ppm1 8.323 ppm2 4.463 CV 1 ASSI { 512} (( segid " " and resid 169 and name H )) (( segid " " and resid 169 and name HB2 )) 2.400 0.700 0.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.67190E-02 ppm1 8.322 ppm2 2.608 CV 1 ASSI { 513} (( segid " " and resid 169 and name H )) (( segid " " and resid 169 and name HB3 )) 2.700 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.58690E-02 ppm1 8.322 ppm2 2.649 CV 1 ASSI { 514} (( segid " " and resid 170 and name H )) (( segid " " and resid 169 and name HB2 )) 4.000 2.000 2.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.25744E-02 ppm1 7.909 ppm2 2.611 CV 1 ASSI { 515} (( segid " " and resid 170 and name H )) (( segid " " and resid 169 and name HB3 )) 3.800 1.800 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.24582E-02 ppm1 7.910 ppm2 2.652 CV 1 ASSI { 517} (( segid " " and resid 170 and name H )) (( segid " " and resid 170 and name HB3 )) 3.100 1.200 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.44381E-02 ppm1 7.910 ppm2 1.937 CV 1 ASSI { 518} (( segid " " and resid 170 and name H )) (( segid " " and resid 170 and name HB2 )) 2.300 0.700 0.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.72641E-02 ppm1 7.909 ppm2 1.797 CV 1 ASSI { 519} (( segid " " and resid 170 and name H )) (( segid " " and resid 138 and name HB2 )) 4.500 2.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 7.907 ppm2 1.692 CV 1 ASSI { 520} (( segid " " and resid 169 and name H )) (( segid " " and resid 135 and name HG2 )) 4.700 2.700 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.91467E-03 ppm1 8.322 ppm2 2.132 CV 1 ASSI { 521} (( segid " " and resid 169 and name H )) (( segid " " and resid 138 and name HB2 )) 2.800 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.36530E-02 ppm1 8.322 ppm2 1.696 CV 1 ASSI { 523} (( segid " " and resid 170 and name H )) (( segid " " and resid 138 and name HD2 )) 4.300 2.300 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.64789E-03 ppm1 7.912 ppm2 1.577 CV 1 OR { 523} (( segid " " and resid 170 and name H )) (( segid " " and resid 138 and name HD3 )) ASSI { 524} (( segid " " and resid 170 and name H )) (( segid " " and resid 138 and name HG3 )) 3.800 1.800 1.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 7.909 ppm2 1.333 CV 1 OR { 524} (( segid " " and resid 170 and name H )) (( segid " " and resid 138 and name HG2 )) ASSI { 525} (( segid " " and resid 169 and name H )) (( segid " " and resid 138 and name HG3 )) 3.500 1.500 1.500 peak 525 spectrum 1 weight 0.10000E+01 volume 0.29079E-02 ppm1 8.322 ppm2 1.327 CV 1 OR { 525} (( segid " " and resid 169 and name H )) (( segid " " and resid 138 and name HG2 )) ASSI { 527} (( segid " " and resid 13 and name H )) (( segid " " and resid 10 and name H )) 3.300 1.400 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 8.077 ppm2 8.887 CV 1 ASSI { 528} (( segid " " and resid 13 and name H )) (( segid " " and resid 12 and name H )) 2.500 0.800 0.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.30888E-02 ppm1 8.078 ppm2 8.762 CV 1 ASSI { 529} (( segid " " and resid 13 and name H )) (( segid " " and resid 11 and name H )) 4.700 2.800 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.60406E-03 ppm1 8.072 ppm2 9.098 CV 1 ASSI { 530} (( segid " " and resid 137 and name H )) (( segid " " and resid 136 and name H )) 2.400 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.51984E-02 ppm1 8.133 ppm2 8.383 CV 1 ASSI { 531} (( segid " " and resid 32 and name H )) (( segid " " and resid 33 and name H )) 3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.74318E-03 ppm1 8.087 ppm2 7.453 CV 1 ASSI { 533} (( segid " " and resid 138 and name H )) (( segid " " and resid 169 and name HA )) 4.900 3.100 1.100 peak 533 spectrum 1 weight 0.10000E+01 volume 0.88418E-03 ppm1 8.084 ppm2 4.462 CV 1 ASSI { 535} (( segid " " and resid 13 and name H )) (( segid " " and resid 11 and name HA2 )) 5.100 3.200 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 8.076 ppm2 3.960 CV 1 ASSI { 536} (( segid " " and resid 13 and name H )) (( segid " " and resid 11 and name HA3 )) 4.100 2.100 1.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 8.075 ppm2 3.671 CV 1 ASSI { 537} (( segid " " and resid 138 and name H )) (( segid " " and resid 169 and name HB3 )) 4.600 2.600 1.400 peak 537 spectrum 1 weight 0.10000E+01 volume 0.53165E-03 ppm1 8.083 ppm2 2.641 CV 1 ASSI { 538} (( segid " " and resid 138 and name H )) (( segid " " and resid 169 and name HB2 )) 4.300 2.300 1.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.53547E-03 ppm1 8.081 ppm2 2.605 CV 1 ASSI { 539} (( segid " " and resid 13 and name H )) (( segid " " and resid 12 and name HB2 )) 3.800 1.800 1.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.16426E-02 ppm1 8.078 ppm2 2.848 CV 1 ASSI { 540} (( segid " " and resid 137 and name H )) (( segid " " and resid 137 and name HE3 )) 4.800 2.900 1.200 peak 540 spectrum 1 weight 0.10000E+01 volume 0.80223E-03 ppm1 8.132 ppm2 2.903 CV 1 OR { 540} (( segid " " and resid 137 and name H )) (( segid " " and resid 137 and name HE2 )) ASSI { 541} (( segid " " and resid 13 and name H )) (( segid " " and resid 13 and name HB )) 2.400 0.700 0.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.79215E-02 ppm1 8.078 ppm2 2.179 CV 1 ASSI { 543} (( segid " " and resid 138 and name H )) (( segid " " and resid 135 and name HB2 )) 3.400 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 8.080 ppm2 1.902 CV 1 ASSI { 545} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HB2 )) 1.800 0.400 0.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.10852E-01 ppm1 8.083 ppm2 1.695 CV 1 ASSI { 546} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HD3 )) 3.700 1.700 1.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.23496E-02 ppm1 8.082 ppm2 1.591 CV 1 OR { 546} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HD2 )) ASSI { 547} (( segid " " and resid 137 and name H )) (( segid " " and resid 135 and name HB3 )) 2.400 0.700 0.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.39732E-02 ppm1 8.134 ppm2 1.987 CV 1 ASSI { 548} (( segid " " and resid 137 and name H )) (( segid " " and resid 137 and name HB3 )) 3.200 1.300 1.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.53374E-02 ppm1 8.133 ppm2 1.809 CV 1 ASSI { 549} (( segid " " and resid 137 and name H )) (( segid " " and resid 137 and name HB2 )) 2.200 0.600 0.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.71839E-02 ppm1 8.133 ppm2 1.689 CV 1 ASSI { 550} (( segid " " and resid 137 and name H )) (( segid " " and resid 137 and name HD2 )) 4.100 2.100 1.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.14863E-02 ppm1 8.134 ppm2 1.594 CV 1 OR { 550} (( segid " " and resid 137 and name H )) (( segid " " and resid 137 and name HD3 )) ASSI { 551} (( segid " " and resid 137 and name H )) (( segid " " and resid 137 and name HG3 )) 2.300 0.700 0.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.47182E-02 ppm1 8.133 ppm2 1.338 CV 1 ASSI { 555} (( segid " " and resid 136 and name H )) (( segid " " and resid 135 and name H )) 3.200 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.37331E-02 ppm1 8.381 ppm2 8.270 CV 1 ASSI { 559} (( segid " " and resid 135 and name H )) (( segid " " and resid 133 and name HA )) 4.700 2.700 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 8.268 ppm2 4.302 CV 1 ASSI { 561} (( segid " " and resid 136 and name H )) (( segid " " and resid 134 and name HA )) 3.600 3.600 2.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.13510E-02 ppm1 8.381 ppm2 4.431 CV 1 ASSI { 562} (( segid " " and resid 136 and name H )) (( segid " " and resid 135 and name HA )) 1.700 0.400 0.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.27195E-01 ppm1 8.382 ppm2 4.130 CV 1 ASSI { 564} (( segid " " and resid 136 and name H )) ( segid " " and resid 134 and name HE% ) 2.300 2.300 3.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.11978E-01 ppm1 8.382 ppm2 1.985 CV 1 ASSI { 565} (( segid " " and resid 136 and name H )) (( segid " " and resid 136 and name HB3 )) 2.000 0.500 0.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.13341E-01 ppm1 8.382 ppm2 1.897 CV 1 ASSI { 567} (( segid " " and resid 135 and name H )) ( segid " " and resid 134 and name HE% ) 3.000 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.61151E-02 ppm1 8.267 ppm2 1.984 CV 1 ASSI { 568} (( segid " " and resid 135 and name H )) (( segid " " and resid 135 and name HB2 )) 1.800 0.400 0.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.94230E-02 ppm1 8.268 ppm2 1.902 CV 1 ASSI { 569} (( segid " " and resid 135 and name H )) (( segid " " and resid 134 and name HG3 )) 4.000 2.000 2.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 8.268 ppm2 2.541 CV 1 ASSI { 570} (( segid " " and resid 135 and name H )) (( segid " " and resid 134 and name HG2 )) 5.300 3.500 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.99660E-03 ppm1 8.268 ppm2 2.416 CV 1 ASSI { 571} (( segid " " and resid 135 and name H )) (( segid " " and resid 133 and name HB2 )) 2.800 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.78318E-03 ppm1 8.265 ppm2 1.576 CV 1 ASSI { 572} (( segid " " and resid 135 and name H )) (( segid " " and resid 133 and name HB3 )) 4.100 2.100 1.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 8.267 ppm2 1.486 CV 1 OR { 572} (( segid " " and resid 135 and name H )) (( segid " " and resid 133 and name HG )) ASSI { 573} (( segid " " and resid 136 and name H )) (( segid " " and resid 137 and name HD2 )) 5.300 3.400 0.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.63265E-03 ppm1 8.383 ppm2 1.593 CV 1 OR { 573} (( segid " " and resid 136 and name H )) (( segid " " and resid 137 and name HD3 )) ASSI { 574} (( segid " " and resid 136 and name H )) (( segid " " and resid 137 and name HG3 )) 4.300 2.300 1.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.83844E-03 ppm1 8.379 ppm2 1.340 CV 1 ASSI { 575} (( segid " " and resid 135 and name H )) ( segid " " and resid 133 and name HD1%) 4.200 2.200 1.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.74127E-03 ppm1 8.267 ppm2 0.806 CV 1 ASSI { 576} (( segid " " and resid 133 and name H )) (( segid " " and resid 132 and name H )) 3.900 1.900 1.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.16083E-02 ppm1 8.207 ppm2 8.666 CV 1 ASSI { 577} (( segid " " and resid 134 and name H )) (( segid " " and resid 135 and name HA )) 3.700 1.700 1.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.11529E-02 ppm1 8.189 ppm2 4.129 CV 1 ASSI { 579} (( segid " " and resid 134 and name H )) (( segid " " and resid 133 and name HA )) 2.200 0.600 0.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.10195E-01 ppm1 8.188 ppm2 4.303 CV 1 ASSI { 580} (( segid " " and resid 133 and name H )) (( segid " " and resid 133 and name HA )) 2.500 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.43942E-02 ppm1 8.208 ppm2 4.305 CV 1 ASSI { 583} (( segid " " and resid 134 and name H )) (( segid " " and resid 133 and name HB2 )) 2.200 0.600 0.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.21476E-02 ppm1 8.187 ppm2 1.572 CV 1 ASSI { 584} (( segid " " and resid 133 and name H )) (( segid " " and resid 133 and name HB2 )) 2.500 0.800 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.48020E-02 ppm1 8.207 ppm2 1.569 CV 1 ASSI { 585} (( segid " " and resid 133 and name H )) (( segid " " and resid 133 and name HG )) 2.000 0.500 0.500 peak 585 spectrum 1 weight 0.10000E+01 volume 0.68485E-02 ppm1 8.208 ppm2 1.495 CV 1 ASSI { 592} (( segid " " and resid 131 and name H )) (( segid " " and resid 130 and name HA )) 2.300 0.700 0.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.25916E-02 ppm1 8.413 ppm2 4.401 CV 1 ASSI { 595} (( segid " " and resid 101 and name H )) (( segid " " and resid 87 and name HA )) 4.400 2.400 1.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.41732E-03 ppm1 8.325 ppm2 4.639 CV 1 ASSI { 598} (( segid " " and resid 131 and name H )) (( segid " " and resid 131 and name HD3 )) 4.600 2.700 1.400 peak 598 spectrum 1 weight 0.10000E+01 volume 0.43828E-03 ppm1 8.418 ppm2 3.053 CV 1 ASSI { 602} (( segid " " and resid 132 and name H )) (( segid " " and resid 132 and name HB3 )) 3.900 1.900 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.19056E-02 ppm1 8.665 ppm2 1.838 CV 1 ASSI { 603} (( segid " " and resid 131 and name H )) (( segid " " and resid 172 and name HB2 )) 3.100 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.59264E-03 ppm1 8.411 ppm2 2.824 CV 1 ASSI { 604} (( segid " " and resid 64 and name H )) (( segid " " and resid 25 and name HB )) 4.300 2.300 1.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 8.423 ppm2 2.755 CV 1 ASSI { 605} (( segid " " and resid 131 and name H )) (( segid " " and resid 172 and name HB3 )) 4.600 2.600 1.400 peak 605 spectrum 1 weight 0.10000E+01 volume 0.42494E-03 ppm1 8.420 ppm2 2.624 CV 1 ASSI { 606} (( segid " " and resid 64 and name H )) (( segid " " and resid 63 and name HG2 )) 5.100 3.300 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.68410E-03 ppm1 8.423 ppm2 2.400 CV 1 ASSI { 607} (( segid " " and resid 64 and name H )) (( segid " " and resid 63 and name HG3 )) 3.800 1.800 1.800 peak 607 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 8.422 ppm2 2.282 CV 1 ASSI { 608} (( segid " " and resid 64 and name H )) (( segid " " and resid 63 and name HB3 )) 4.300 2.400 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.14902E-02 ppm1 8.422 ppm2 2.050 CV 1 ASSI { 609} (( segid " " and resid 131 and name H )) (( segid " " and resid 131 and name HB2 )) 2.900 1.000 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.95659E-03 ppm1 8.409 ppm2 1.985 CV 1 ASSI { 610} (( segid " " and resid 64 and name H )) (( segid " " and resid 63 and name HB2 )) 3.200 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.95088E-03 ppm1 8.421 ppm2 1.922 CV 1 ASSI { 611} (( segid " " and resid 132 and name H )) (( segid " " and resid 191 and name HG )) 4.800 2.900 1.200 peak 611 spectrum 1 weight 0.10000E+01 volume 0.82130E-03 ppm1 8.663 ppm2 1.641 CV 1 ASSI { 612} (( segid " " and resid 132 and name H )) (( segid " " and resid 131 and name HB3 )) 3.700 1.800 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.96422E-03 ppm1 8.665 ppm2 1.524 CV 1 ASSI { 613} (( segid " " and resid 132 and name H )) (( segid " " and resid 192 and name HG )) 3.800 1.800 1.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.44970E-03 ppm1 8.667 ppm2 1.390 CV 1 ASSI { 614} (( segid " " and resid 131 and name H )) (( segid " " and resid 130 and name HB )) 4.000 2.000 2.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.18065E-02 ppm1 8.413 ppm2 1.644 CV 1 ASSI { 616} (( segid " " and resid 64 and name H )) ( segid " " and resid 25 and name HG2%) 4.300 2.300 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 8.423 ppm2 0.994 CV 1 ASSI { 618} (( segid " " and resid 132 and name H )) ( segid " " and resid 191 and name HD2%) 3.800 1.800 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.19227E-02 ppm1 8.665 ppm2 0.753 CV 1 ASSI { 622} (( segid " " and resid 131 and name H )) ( segid " " and resid 174 and name HD2%) 3.700 1.700 1.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.12977E-02 ppm1 8.416 ppm2 0.680 CV 1 OR { 622} (( segid " " and resid 131 and name H )) ( segid " " and resid 174 and name HD1%) ASSI { 623} (( segid " " and resid 131 and name H )) ( segid " " and resid 130 and name HG1%) 4.200 2.200 1.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.87656E-03 ppm1 8.413 ppm2 0.222 CV 1 ASSI { 625} (( segid " " and resid 130 and name H )) (( segid " " and resid 131 and name H )) 4.300 2.300 1.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.40590E-03 ppm1 8.788 ppm2 8.416 CV 1 ASSI { 626} (( segid " " and resid 129 and name H )) (( segid " " and resid 173 and name HE3 )) 4.200 2.200 1.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.41161E-03 ppm1 8.839 ppm2 7.559 CV 1 ASSI { 628} (( segid " " and resid 129 and name H )) (( segid " " and resid 129 and name HA )) 3.600 1.600 1.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.49353E-03 ppm1 8.840 ppm2 5.566 CV 1 ASSI { 629} (( segid " " and resid 130 and name H )) (( segid " " and resid 193 and name HA )) 3.800 1.800 1.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.68981E-03 ppm1 8.785 ppm2 4.876 CV 1 ASSI { 630} (( segid " " and resid 129 and name H )) (( segid " " and resid 128 and name HA )) 3.200 1.300 1.300 peak 630 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 8.841 ppm2 4.619 CV 1 ASSI { 632} (( segid " " and resid 130 and name H )) (( segid " " and resid 173 and name HA )) 5.100 3.300 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.31824E-03 ppm1 8.782 ppm2 4.636 CV 1 ASSI { 633} (( segid " " and resid 131 and name H )) (( segid " " and resid 173 and name HA )) 4.500 2.500 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.55452E-03 ppm1 8.414 ppm2 4.653 CV 1 ASSI { 634} (( segid " " and resid 129 and name H )) (( segid " " and resid 128 and name HB2 )) 3.600 1.600 1.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.68028E-03 ppm1 8.839 ppm2 3.666 CV 1 ASSI { 635} (( segid " " and resid 129 and name H )) (( segid " " and resid 129 and name HB2 )) 3.300 1.400 1.400 peak 635 spectrum 1 weight 0.10000E+01 volume 0.46686E-03 ppm1 8.835 ppm2 1.164 CV 1 ASSI { 636} (( segid " " and resid 129 and name H )) (( segid " " and resid 129 and name HB3 )) 3.600 1.600 1.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.88418E-03 ppm1 8.841 ppm2 1.492 CV 1 ASSI { 638} (( segid " " and resid 130 and name H )) (( segid " " and resid 129 and name HB3 )) 3.100 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 8.786 ppm2 1.512 CV 1 ASSI { 639} (( segid " " and resid 130 and name H )) (( segid " " and resid 192 and name HB2 )) 3.900 1.900 1.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 8.786 ppm2 1.388 CV 1 ASSI { 640} (( segid " " and resid 130 and name H )) (( segid " " and resid 191 and name HB3 )) 3.800 1.800 1.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 8.788 ppm2 1.256 CV 1 ASSI { 641} (( segid " " and resid 130 and name H )) (( segid " " and resid 129 and name HB2 )) 4.400 2.400 1.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.76794E-03 ppm1 8.788 ppm2 1.164 CV 1 ASSI { 643} (( segid " " and resid 130 and name H )) ( segid " " and resid 130 and name HG2%) 4.200 2.200 1.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.96039E-03 ppm1 8.786 ppm2 0.478 CV 1 ASSI { 651} (( segid " " and resid 128 and name H )) (( segid " " and resid 197 and name H )) 5.600 3.900 0.400 peak 651 spectrum 1 weight 0.10000E+01 volume 0.36969E-03 ppm1 8.878 ppm2 7.557 CV 1 ASSI { 653} (( segid " " and resid 128 and name H )) (( segid " " and resid 196 and name H )) 3.900 1.900 1.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 8.876 ppm2 8.344 CV 1 ASSI { 654} (( segid " " and resid 127 and name H )) (( segid " " and resid 128 and name H )) 4.600 2.600 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.58882E-03 ppm1 7.809 ppm2 8.880 CV 1 ASSI { 656} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name H )) 3.000 1.100 1.100 peak 656 spectrum 1 weight 0.10000E+01 volume 0.15988E-02 ppm1 7.807 ppm2 7.699 CV 1 ASSI { 657} (( segid " " and resid 127 and name H )) ( segid " " and resid 127 and name HE% ) 4.500 2.600 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.82701E-03 ppm1 7.806 ppm2 6.637 CV 1 ASSI { 658} (( segid " " and resid 127 and name H )) ( segid " " and resid 127 and name HD% ) 3.200 1.300 1.300 peak 658 spectrum 1 weight 0.10000E+01 volume 0.25725E-02 ppm1 7.806 ppm2 6.860 CV 1 ASSI { 659} (( segid " " and resid 128 and name H )) ( segid " " and resid 127 and name HD% ) 3.900 1.900 1.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14959E-02 ppm1 8.878 ppm2 6.858 CV 1 ASSI { 660} (( segid " " and resid 128 and name H )) (( segid " " and resid 173 and name HZ3 )) 4.400 2.500 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.42686E-03 ppm1 8.879 ppm2 6.709 CV 1 ASSI { 661} (( segid " " and resid 128 and name H )) ( segid " " and resid 127 and name HE% ) 5.500 3.700 0.500 peak 661 spectrum 1 weight 0.10000E+01 volume 0.51260E-03 ppm1 8.878 ppm2 6.638 CV 1 ASSI { 662} (( segid " " and resid 129 and name H )) (( segid " " and resid 173 and name HZ3 )) 5.000 3.100 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.32586E-03 ppm1 8.834 ppm2 6.713 CV 1 ASSI { 663} (( segid " " and resid 128 and name H )) (( segid " " and resid 193 and name HA )) 5.200 3.400 0.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.28012E-03 ppm1 8.885 ppm2 4.865 CV 1 ASSI { 664} (( segid " " and resid 128 and name H )) (( segid " " and resid 128 and name HA )) 2.900 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.14197E-02 ppm1 8.877 ppm2 4.618 CV 1 ASSI { 665} (( segid " " and resid 127 and name H )) (( segid " " and resid 125 and name HA )) 3.600 1.600 1.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.96993E-03 ppm1 7.806 ppm2 4.454 CV 1 ASSI { 667} (( segid " " and resid 127 and name H )) (( segid " " and resid 195 and name HA )) 5.000 3.100 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 7.810 ppm2 3.619 CV 1 ASSI { 668} (( segid " " and resid 128 and name H )) (( segid " " and resid 195 and name HA )) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 8.877 ppm2 3.632 CV 1 ASSI { 669} (( segid " " and resid 128 and name H )) (( segid " " and resid 127 and name HB2 )) 3.800 1.800 1.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.20256E-02 ppm1 8.878 ppm2 2.786 CV 1 ASSI { 670} (( segid " " and resid 127 and name H )) (( segid " " and resid 127 and name HB3 )) 3.500 1.600 1.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.27859E-02 ppm1 7.806 ppm2 2.786 CV 1 ASSI { 671} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name HB3 )) 4.500 2.600 1.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 7.809 ppm2 2.109 CV 1 OR { 671} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name HG3 )) ASSI { 672} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name HG2 )) 4.100 2.100 1.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 7.805 ppm2 1.829 CV 1 OR { 672} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name HB2 )) ASSI { 673} (( segid " " and resid 128 and name H )) (( segid " " and resid 194 and name HB2 )) 3.300 1.300 1.300 peak 673 spectrum 1 weight 0.10000E+01 volume 0.67265E-03 ppm1 8.881 ppm2 1.502 CV 1 ASSI { 674} (( segid " " and resid 128 and name H )) (( segid " " and resid 194 and name HG2 )) 4.600 2.600 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.50878E-03 ppm1 8.876 ppm2 1.403 CV 1 ASSI { 676} (( segid " " and resid 128 and name H )) ( segid " " and resid 130 and name HG1%) 5.200 3.400 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.27632E-03 ppm1 8.878 ppm2 0.209 CV 1 ASSI { 677} (( segid " " and resid 113 and name H )) (( segid " " and resid 114 and name H )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.21933E-02 ppm1 7.653 ppm2 7.487 CV 1 ASSI { 678} (( segid " " and resid 118 and name H )) (( segid " " and resid 119 and name H )) 2.300 0.600 0.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.25934E-02 ppm1 7.688 ppm2 7.472 CV 1 ASSI { 679} (( segid " " and resid 125 and name H )) (( segid " " and resid 127 and name H )) 3.900 1.900 1.900 peak 679 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 8.064 ppm2 7.797 CV 1 ASSI { 680} (( segid " " and resid 125 and name H )) (( segid " " and resid 126 and name H )) 2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.30565E-02 ppm1 8.064 ppm2 7.701 CV 1 ASSI { 682} (( segid " " and resid 126 and name H )) ( segid " " and resid 127 and name HD% ) 3.700 1.700 1.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.75843E-03 ppm1 7.700 ppm2 6.863 CV 1 ASSI { 684} (( segid " " and resid 125 and name H )) ( segid " " and resid 127 and name HD% ) 4.700 2.800 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 8.063 ppm2 6.862 CV 1 ASSI { 685} (( segid " " and resid 125 and name H )) ( segid " " and resid 127 and name HE% ) 5.000 3.100 1.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 8.064 ppm2 6.659 CV 1 ASSI { 686} (( segid " " and resid 125 and name H )) (( segid " " and resid 123 and name HA )) 4.300 2.300 1.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 8.063 ppm2 4.899 CV 1 ASSI { 687} (( segid " " and resid 125 and name H )) (( segid " " and resid 125 and name HA )) 2.500 0.800 0.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.58310E-02 ppm1 8.063 ppm2 4.460 CV 1 ASSI { 688} (( segid " " and resid 125 and name H )) (( segid " " and resid 126 and name HA )) 4.400 2.400 1.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.55643E-03 ppm1 8.058 ppm2 4.186 CV 1 ASSI { 691} (( segid " " and resid 118 and name H )) (( segid " " and resid 118 and name HA )) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.42399E-02 ppm1 7.687 ppm2 4.100 CV 1 ASSI { 692} (( segid " " and resid 118 and name H )) (( segid " " and resid 114 and name HA )) 4.100 2.100 1.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.57739E-03 ppm1 7.690 ppm2 3.843 CV 1 ASSI { 693} (( segid " " and resid 118 and name H )) (( segid " " and resid 116 and name HA )) 3.700 1.700 1.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.53356E-03 ppm1 7.689 ppm2 3.746 CV 1 ASSI { 694} (( segid " " and resid 118 and name H )) (( segid " " and resid 115 and name HA )) 4.100 2.100 1.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.79081E-03 ppm1 7.688 ppm2 3.372 CV 1 ASSI { 696} (( segid " " and resid 125 and name H )) (( segid " " and resid 124 and name HB3 )) 4.300 2.300 1.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.68601E-03 ppm1 8.064 ppm2 3.075 CV 1 ASSI { 697} (( segid " " and resid 125 and name H )) (( segid " " and resid 123 and name HB2 )) 4.400 2.400 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.95659E-03 ppm1 8.063 ppm2 2.787 CV 1 ASSI { 698} (( segid " " and resid 125 and name H )) (( segid " " and resid 123 and name HB3 )) 4.600 2.600 1.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.74506E-03 ppm1 8.064 ppm2 2.716 CV 1 ASSI { 699} (( segid " " and resid 125 and name H )) (( segid " " and resid 125 and name HB3 )) 2.700 0.900 0.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.65342E-02 ppm1 8.063 ppm2 2.461 CV 1 ASSI { 700} (( segid " " and resid 125 and name H )) (( segid " " and resid 126 and name HG3 )) 4.100 2.200 1.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.87847E-03 ppm1 8.064 ppm2 2.111 CV 1 OR { 700} (( segid " " and resid 125 and name H )) (( segid " " and resid 126 and name HB3 )) ASSI { 701} (( segid " " and resid 126 and name H )) (( segid " " and resid 126 and name HG3 )) 3.300 1.400 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12215E-02 ppm1 7.700 ppm2 2.109 CV 1 OR { 701} (( segid " " and resid 126 and name H )) (( segid " " and resid 126 and name HB3 )) ASSI { 702} (( segid " " and resid 118 and name H )) (( segid " " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 702 spectrum 1 weight 0.10000E+01 volume 0.39845E-02 ppm1 7.688 ppm2 1.945 CV 1 ASSI { 703} (( segid " " and resid 126 and name H )) (( segid " " and resid 126 and name HG2 )) 3.000 1.200 1.200 peak 703 spectrum 1 weight 0.10000E+01 volume 0.17588E-02 ppm1 7.700 ppm2 1.829 CV 1 OR { 703} (( segid " " and resid 126 and name H )) (( segid " " and resid 126 and name HB2 )) ASSI { 707} (( segid " " and resid 125 and name H )) (( segid " " and resid 126 and name HG2 )) 3.600 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.12481E-02 ppm1 8.063 ppm2 1.822 CV 1 ASSI { 711} (( segid " " and resid 125 and name H )) ( segid " " and resid 121 and name HG2%) 5.000 3.100 1.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.43257E-03 ppm1 8.064 ppm2 0.499 CV 1 ASSI { 712} (( segid " " and resid 123 and name H )) (( segid " " and resid 122 and name H )) 3.300 1.400 1.400 peak 712 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 8.689 ppm2 8.500 CV 1 ASSI { 713} (( segid " " and resid 7 and name H )) (( segid " " and resid 79 and name H )) 3.900 1.900 1.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.87276E-03 ppm1 8.676 ppm2 9.046 CV 1 ASSI { 714} (( segid " " and resid 7 and name H )) (( segid " " and resid 6 and name H )) 4.500 2.600 1.500 peak 714 spectrum 1 weight 0.10000E+01 volume 0.44970E-03 ppm1 8.676 ppm2 8.878 CV 1 ASSI { 715} (( segid " " and resid 123 and name H )) (( segid " " and resid 124 and name H )) 4.800 2.800 1.200 peak 715 spectrum 1 weight 0.10000E+01 volume 0.46495E-03 ppm1 8.694 ppm2 7.690 CV 1 ASSI { 716} (( segid " " and resid 123 and name H )) (( segid " " and resid 122 and name HB )) 2.800 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.35292E-02 ppm1 8.690 ppm2 4.177 CV 1 OR { 716} (( segid " " and resid 123 and name H )) (( segid " " and resid 122 and name HA )) ASSI { 717} (( segid " " and resid 7 and name H )) (( segid " " and resid 7 and name HA )) 3.300 1.400 1.400 peak 717 spectrum 1 weight 0.10000E+01 volume 0.76794E-03 ppm1 8.676 ppm2 4.497 CV 1 ASSI { 718} (( segid " " and resid 7 and name H )) (( segid " " and resid 78 and name HA )) 3.000 1.100 1.100 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 8.676 ppm2 5.326 CV 1 ASSI { 719} (( segid " " and resid 7 and name H )) (( segid " " and resid 6 and name HA )) 2.400 0.700 0.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.32700E-02 ppm1 8.675 ppm2 4.969 CV 1 ASSI { 720} (( segid " " and resid 123 and name H )) (( segid " " and resid 123 and name HA )) 3.000 1.100 1.100 peak 720 spectrum 1 weight 0.10000E+01 volume 0.21457E-02 ppm1 8.688 ppm2 4.900 CV 1 ASSI { 721} (( segid " " and resid 123 and name H )) (( segid " " and resid 123 and name HB2 )) 3.200 1.300 1.300 peak 721 spectrum 1 weight 0.10000E+01 volume 0.16407E-02 ppm1 8.688 ppm2 2.782 CV 1 ASSI { 722} (( segid " " and resid 123 and name H )) (( segid " " and resid 123 and name HB3 )) 3.300 1.400 1.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.14520E-02 ppm1 8.690 ppm2 2.719 CV 1 ASSI { 723} (( segid " " and resid 7 and name H )) (( segid " " and resid 7 and name HB2 )) 2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 8.675 ppm2 1.825 CV 1 ASSI { 724} (( segid " " and resid 7 and name H )) (( segid " " and resid 6 and name HB3 )) 3.900 1.900 1.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.83844E-03 ppm1 8.677 ppm2 1.646 CV 1 ASSI { 727} (( segid " " and resid 7 and name H )) (( segid " " and resid 7 and name HG2 )) 3.400 1.400 1.400 peak 727 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 8.678 ppm2 1.181 CV 1 ASSI { 730} (( segid " " and resid 7 and name H )) ( segid " " and resid 6 and name HD2%) 4.300 2.300 1.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 8.675 ppm2 0.884 CV 1 ASSI { 731} (( segid " " and resid 123 and name H )) (( segid " " and resid 121 and name HG12)) 5.300 3.500 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.43257E-03 ppm1 8.692 ppm2 0.824 CV 1 ASSI { 732} (( segid " " and resid 7 and name H )) ( segid " " and resid 8 and name HD1%) 3.600 1.600 1.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.16636E-02 ppm1 8.677 ppm2 0.711 CV 1 ASSI { 734} (( segid " " and resid 123 and name H )) ( segid " " and resid 121 and name HD1%) 6.000 4.800 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 8.691 ppm2 0.292 CV 1 ASSI { 737} (( segid " " and resid 121 and name H )) (( segid " " and resid 122 and name H )) 3.900 1.900 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 7.933 ppm2 8.503 CV 1 ASSI { 738} (( segid " " and resid 121 and name H )) (( segid " " and resid 120 and name H )) 2.600 0.800 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.28012E-02 ppm1 7.936 ppm2 7.547 CV 1 ASSI { 739} (( segid " " and resid 121 and name H )) (( segid " " and resid 119 and name H )) 3.700 1.700 1.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.83464E-03 ppm1 7.936 ppm2 7.470 CV 1 ASSI { 740} (( segid " " and resid 122 and name H )) (( segid " " and resid 121 and name HA )) 2.700 0.900 0.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.42381E-02 ppm1 8.500 ppm2 4.136 CV 1 ASSI { 742} (( segid " " and resid 121 and name H )) (( segid " " and resid 121 and name HA )) 2.900 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.24315E-02 ppm1 7.936 ppm2 4.113 CV 1 ASSI { 743} (( segid " " and resid 121 and name H )) (( segid " " and resid 116 and name HA )) 3.600 1.600 1.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 7.935 ppm2 3.734 CV 1 ASSI { 744} (( segid " " and resid 121 and name H )) (( segid " " and resid 120 and name HA2 )) 3.200 1.300 1.300 peak 744 spectrum 1 weight 0.10000E+01 volume 0.16121E-02 ppm1 7.937 ppm2 3.674 CV 1 ASSI { 745} (( segid " " and resid 121 and name H )) (( segid " " and resid 120 and name HA3 )) 3.300 1.400 1.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.18046E-02 ppm1 7.936 ppm2 4.059 CV 1 ASSI { 746} (( segid " " and resid 121 and name H )) (( segid " " and resid 116 and name HB2 )) 4.400 2.400 1.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 7.934 ppm2 2.983 CV 1 ASSI { 747} (( segid " " and resid 121 and name H )) (( segid " " and resid 116 and name HB3 )) 5.600 3.900 0.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.37920E-03 ppm1 7.938 ppm2 2.813 CV 1 ASSI { 748} (( segid " " and resid 122 and name H )) (( segid " " and resid 121 and name HB )) 3.600 1.600 1.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.77938E-03 ppm1 8.499 ppm2 1.217 CV 1 ASSI { 749} (( segid " " and resid 122 and name H )) ( segid " " and resid 122 and name HG2%) 3.700 1.700 1.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.19837E-02 ppm1 8.499 ppm2 1.135 CV 1 ASSI { 752} (( segid " " and resid 122 and name H )) (( segid " " and resid 121 and name HG13)) 4.500 2.500 1.500 peak 752 spectrum 1 weight 0.10000E+01 volume 0.65743E-03 ppm1 8.501 ppm2 0.819 CV 1 OR { 752} (( segid " " and resid 122 and name H )) (( segid " " and resid 121 and name HG12)) ASSI { 754} (( segid " " and resid 122 and name H )) ( segid " " and resid 121 and name HD1%) 2.800 2.800 3.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.53736E-03 ppm1 8.501 ppm2 0.287 CV 1 ASSI { 755} (( segid " " and resid 121 and name H )) (( segid " " and resid 121 and name HG13)) 2.700 0.900 0.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 7.935 ppm2 0.813 CV 1 OR { 755} (( segid " " and resid 121 and name H )) (( segid " " and resid 121 and name HG12)) ASSI { 761} (( segid " " and resid 120 and name H )) (( segid " " and resid 118 and name H )) 3.200 1.300 1.300 peak 761 spectrum 1 weight 0.10000E+01 volume 0.75651E-03 ppm1 7.546 ppm2 7.694 CV 1 ASSI { 763} (( segid " " and resid 120 and name H )) (( segid " " and resid 119 and name H )) 2.300 0.700 0.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.30966E-02 ppm1 7.546 ppm2 7.465 CV 1 ASSI { 764} (( segid " " and resid 120 and name H )) (( segid " " and resid 119 and name HA )) 3.000 1.100 1.100 peak 764 spectrum 1 weight 0.10000E+01 volume 0.22276E-02 ppm1 7.547 ppm2 4.313 CV 1 ASSI { 765} (( segid " " and resid 120 and name H )) (( segid " " and resid 120 and name HA3 )) 2.900 1.000 1.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.56881E-02 ppm1 7.547 ppm2 4.045 CV 1 ASSI { 766} (( segid " " and resid 120 and name H )) (( segid " " and resid 120 and name HA2 )) 2.400 0.700 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.55204E-02 ppm1 7.547 ppm2 3.676 CV 1 ASSI { 768} (( segid " " and resid 119 and name H )) (( segid " " and resid 118 and name HA )) 3.000 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.20085E-02 ppm1 7.472 ppm2 4.099 CV 1 ASSI { 769} (( segid " " and resid 119 and name H )) (( segid " " and resid 116 and name HA )) 3.900 1.900 1.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.81939E-03 ppm1 7.472 ppm2 3.739 CV 1 ASSI { 770} (( segid " " and resid 119 and name H )) (( segid " " and resid 120 and name HA2 )) 5.100 3.200 0.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.50307E-03 ppm1 7.476 ppm2 3.683 CV 1 ASSI { 771} (( segid " " and resid 119 and name H )) (( segid " " and resid 119 and name HG12)) 1.800 0.400 0.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.28565E-02 ppm1 7.472 ppm2 1.238 CV 1 ASSI { 772} (( segid " " and resid 119 and name H )) ( segid " " and resid 117 and name HB% ) 2.600 2.600 3.400 peak 772 spectrum 1 weight 0.10000E+01 volume 0.80034E-03 ppm1 7.471 ppm2 1.423 CV 1 ASSI { 773} (( segid " " and resid 119 and name H )) (( segid " " and resid 118 and name HG2 )) 3.600 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.59644E-03 ppm1 7.470 ppm2 1.631 CV 1 ASSI { 775} (( segid " " and resid 119 and name H )) (( segid " " and resid 118 and name HB2 )) 2.100 0.600 0.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.30108E-02 ppm1 7.472 ppm2 1.952 CV 1 ASSI { 776} (( segid " " and resid 120 and name H )) (( segid " " and resid 119 and name HG12)) 3.300 1.400 1.400 peak 776 spectrum 1 weight 0.10000E+01 volume 0.20733E-02 ppm1 7.547 ppm2 1.236 CV 1 ASSI { 778} (( segid " " and resid 120 and name H )) (( segid " " and resid 118 and name HG2 )) 4.900 3.000 1.100 peak 778 spectrum 1 weight 0.10000E+01 volume 0.31824E-03 ppm1 7.548 ppm2 1.621 CV 1 ASSI { 779} (( segid " " and resid 120 and name H )) (( segid " " and resid 119 and name HB )) 3.400 1.400 1.400 peak 779 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 7.547 ppm2 1.953 CV 1 ASSI { 781} (( segid " " and resid 120 and name H )) ( segid " " and resid 119 and name HD1%) 4.800 2.900 1.200 peak 781 spectrum 1 weight 0.10000E+01 volume 0.75651E-03 ppm1 7.544 ppm2 0.583 CV 1 ASSI { 782} (( segid " " and resid 120 and name H )) ( segid " " and resid 121 and name HG2%) 5.800 4.200 0.200 peak 782 spectrum 1 weight 0.10000E+01 volume 0.51260E-03 ppm1 7.547 ppm2 0.497 CV 1 ASSI { 783} (( segid " " and resid 120 and name H )) ( segid " " and resid 121 and name HD1%) 5.500 3.800 0.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.56215E-03 ppm1 7.548 ppm2 0.287 CV 1 ASSI { 784} (( segid " " and resid 119 and name H )) ( segid " " and resid 121 and name HD1%) 5.900 4.400 0.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 7.467 ppm2 0.283 CV 1 ASSI { 788} (( segid " " and resid 117 and name H )) (( segid " " and resid 116 and name H )) 2.900 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 7.755 ppm2 8.350 CV 1 ASSI { 789} (( segid " " and resid 118 and name H )) (( segid " " and resid 116 and name H )) 4.200 2.200 1.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.44781E-03 ppm1 7.689 ppm2 8.348 CV 1 ASSI { 790} (( segid " " and resid 117 and name H )) (( segid " " and resid 115 and name H )) 4.200 2.300 1.800 peak 790 spectrum 1 weight 0.10000E+01 volume 0.40590E-03 ppm1 7.753 ppm2 8.541 CV 1 ASSI { 791} (( segid " " and resid 117 and name H )) (( segid " " and resid 117 and name HA )) 2.700 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.50020E-02 ppm1 7.754 ppm2 4.080 CV 1 ASSI { 792} (( segid " " and resid 117 and name H )) (( segid " " and resid 114 and name HA )) 3.200 1.300 1.300 peak 792 spectrum 1 weight 0.10000E+01 volume 0.18427E-02 ppm1 7.754 ppm2 3.844 CV 1 ASSI { 793} (( segid " " and resid 117 and name H )) (( segid " " and resid 116 and name HA )) 3.300 1.300 1.300 peak 793 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 7.756 ppm2 3.746 CV 1 ASSI { 794} (( segid " " and resid 117 and name H )) (( segid " " and resid 113 and name HA )) 3.500 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.79652E-03 ppm1 7.752 ppm2 3.636 CV 1 ASSI { 795} (( segid " " and resid 117 and name H )) (( segid " " and resid 116 and name HB2 )) 3.400 1.500 1.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 7.755 ppm2 2.986 CV 1 ASSI { 796} (( segid " " and resid 117 and name H )) (( segid " " and resid 116 and name HB3 )) 3.600 1.600 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.13739E-02 ppm1 7.754 ppm2 2.822 CV 1 ASSI { 797} (( segid " " and resid 117 and name H )) (( segid " " and resid 115 and name HB )) 4.400 2.400 1.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.85942E-03 ppm1 7.753 ppm2 1.767 CV 1 ASSI { 800} (( segid " " and resid 117 and name H )) ( segid " " and resid 115 and name HG2%) 4.500 2.600 1.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.90323E-03 ppm1 7.753 ppm2 0.741 CV 1 ASSI { 801} (( segid " " and resid 117 and name H )) ( segid " " and resid 121 and name HG2%) 5.000 3.200 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.50878E-03 ppm1 7.751 ppm2 0.489 CV 1 ASSI { 802} (( segid " " and resid 117 and name H )) ( segid " " and resid 121 and name HD1%) 5.300 3.600 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.36969E-03 ppm1 7.753 ppm2 0.294 CV 1 ASSI { 803} (( segid " " and resid 116 and name H )) (( segid " " and resid 115 and name H )) 3.000 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.10176E-02 ppm1 8.349 ppm2 8.536 CV 1 ASSI { 810} (( segid " " and resid 116 and name H )) (( segid " " and resid 117 and name HA )) 5.300 3.500 0.700 peak 810 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 8.349 ppm2 4.075 CV 1 ASSI { 811} (( segid " " and resid 116 and name H )) (( segid " " and resid 112 and name HA )) 3.400 1.400 1.400 peak 811 spectrum 1 weight 0.10000E+01 volume 0.95088E-03 ppm1 8.349 ppm2 3.842 CV 1 ASSI { 812} (( segid " " and resid 116 and name H )) (( segid " " and resid 116 and name HA )) 3.000 1.100 1.100 peak 812 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 8.348 ppm2 3.745 CV 1 ASSI { 813} (( segid " " and resid 116 and name H )) (( segid " " and resid 113 and name HA )) 3.700 1.700 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.53927E-03 ppm1 8.345 ppm2 3.637 CV 1 ASSI { 816} (( segid " " and resid 115 and name H )) (( segid " " and resid 111 and name HA )) 4.500 2.600 1.500 peak 816 spectrum 1 weight 0.10000E+01 volume 0.35824E-03 ppm1 8.532 ppm2 3.996 CV 1 ASSI { 820} (( segid " " and resid 117 and name H )) (( segid " " and resid 115 and name HA )) 4.600 2.700 1.400 peak 820 spectrum 1 weight 0.10000E+01 volume 0.31441E-03 ppm1 7.752 ppm2 3.373 CV 1 ASSI { 821} (( segid " " and resid 116 and name H )) (( segid " " and resid 116 and name HB2 )) 3.700 1.700 1.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 8.346 ppm2 2.984 CV 1 ASSI { 822} (( segid " " and resid 116 and name H )) (( segid " " and resid 116 and name HB3 )) 3.000 1.100 1.100 peak 822 spectrum 1 weight 0.10000E+01 volume 0.13320E-02 ppm1 8.346 ppm2 2.818 CV 1 ASSI { 823} (( segid " " and resid 116 and name H )) (( segid " " and resid 115 and name HB )) 3.000 1.100 1.100 peak 823 spectrum 1 weight 0.10000E+01 volume 0.13968E-02 ppm1 8.348 ppm2 1.746 CV 1 ASSI { 824} (( segid " " and resid 115 and name H )) (( segid " " and resid 115 and name HB )) 2.900 1.000 1.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.18046E-02 ppm1 8.532 ppm2 1.743 CV 1 ASSI { 825} (( segid " " and resid 115 and name H )) (( segid " " and resid 118 and name HG2 )) 3.700 1.700 1.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.12786E-02 ppm1 8.533 ppm2 1.630 CV 1 ASSI { 828} (( segid " " and resid 116 and name H )) (( segid " " and resid 118 and name HG2 )) 3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.72602E-03 ppm1 8.346 ppm2 1.629 CV 1 ASSI { 830} (( segid " " and resid 116 and name H )) (( segid " " and resid 121 and name HB )) 4.800 2.900 1.200 peak 830 spectrum 1 weight 0.10000E+01 volume 0.78701E-03 ppm1 8.346 ppm2 1.225 CV 1 ASSI { 832} (( segid " " and resid 115 and name H )) ( segid " " and resid 114 and name HG2%) 3.800 1.800 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.92801E-03 ppm1 8.535 ppm2 1.166 CV 1 ASSI { 833} (( segid " " and resid 115 and name H )) ( segid " " and resid 115 and name HG2%) 3.900 1.900 1.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.25382E-02 ppm1 8.534 ppm2 0.732 CV 1 ASSI { 837} (( segid " " and resid 114 and name H )) (( segid " " and resid 115 and name H )) 2.800 1.000 1.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 7.487 ppm2 8.533 CV 1 ASSI { 838} (( segid " " and resid 113 and name H )) (( segid " " and resid 115 and name H )) 4.300 2.300 1.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.48973E-03 ppm1 7.653 ppm2 8.539 CV 1 ASSI { 839} (( segid " " and resid 113 and name H )) (( segid " " and resid 111 and name H )) 4.000 2.000 2.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.57928E-03 ppm1 7.655 ppm2 8.423 CV 1 ASSI { 840} (( segid " " and resid 114 and name H )) (( segid " " and resid 116 and name H )) 4.300 2.300 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.55832E-03 ppm1 7.485 ppm2 8.346 CV 1 ASSI { 841} (( segid " " and resid 114 and name H )) (( segid " " and resid 112 and name H )) 4.100 2.100 1.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.41161E-03 ppm1 7.487 ppm2 8.764 CV 1 ASSI { 842} (( segid " " and resid 18 and name H )) (( segid " " and resid 17 and name H )) 4.300 2.300 1.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.75843E-03 ppm1 7.657 ppm2 9.133 CV 1 ASSI { 843} (( segid " " and resid 113 and name H )) (( segid " " and resid 112 and name H )) 2.900 1.000 1.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.16674E-02 ppm1 7.653 ppm2 8.750 CV 1 ASSI { 847} (( segid " " and resid 18 and name H )) (( segid " " and resid 17 and name HA )) 2.200 0.600 0.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.83368E-02 ppm1 7.657 ppm2 4.377 CV 1 ASSI { 848} (( segid " " and resid 113 and name H )) (( segid " " and resid 114 and name HB )) 4.700 2.800 1.300 peak 848 spectrum 1 weight 0.10000E+01 volume 0.62122E-03 ppm1 7.650 ppm2 4.242 CV 1 ASSI { 849} (( segid " " and resid 114 and name H )) (( segid " " and resid 110 and name HA )) 4.100 2.100 1.900 peak 849 spectrum 1 weight 0.10000E+01 volume 0.52974E-03 ppm1 7.489 ppm2 4.385 CV 1 ASSI { 850} (( segid " " and resid 114 and name H )) (( segid " " and resid 114 and name HB )) 2.500 0.800 0.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.37902E-02 ppm1 7.487 ppm2 4.235 CV 1 ASSI { 851} (( segid " " and resid 113 and name H )) (( segid " " and resid 111 and name HA )) 3.900 1.900 1.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.61549E-03 ppm1 7.653 ppm2 3.999 CV 1 ASSI { 852} (( segid " " and resid 113 and name H )) (( segid " " and resid 112 and name HA )) 3.200 1.200 1.200 peak 852 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 7.654 ppm2 3.843 CV 1 ASSI { 853} (( segid " " and resid 113 and name H )) (( segid " " and resid 113 and name HA )) 2.700 0.900 0.900 peak 853 spectrum 1 weight 0.10000E+01 volume 0.28849E-02 ppm1 7.653 ppm2 3.630 CV 1 ASSI { 854} (( segid " " and resid 114 and name H )) (( segid " " and resid 111 and name HA )) 3.300 1.400 1.400 peak 854 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 7.488 ppm2 3.994 CV 1 ASSI { 855} (( segid " " and resid 114 and name H )) (( segid " " and resid 114 and name HA )) 2.800 1.000 1.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.34072E-02 ppm1 7.486 ppm2 3.844 CV 1 ASSI { 856} (( segid " " and resid 114 and name H )) (( segid " " and resid 113 and name HA )) 3.300 1.400 1.400 peak 856 spectrum 1 weight 0.10000E+01 volume 0.12748E-02 ppm1 7.487 ppm2 3.632 CV 1 ASSI { 857} (( segid " " and resid 114 and name H )) (( segid " " and resid 115 and name HA )) 4.900 3.000 1.100 peak 857 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 7.485 ppm2 3.374 CV 1 ASSI { 859} (( segid " " and resid 18 and name H )) (( segid " " and resid 18 and name HG3 )) 3.100 1.200 1.200 peak 859 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 7.657 ppm2 2.024 CV 1 ASSI { 860} (( segid " " and resid 113 and name H )) (( segid " " and resid 113 and name HB2 )) 2.200 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.60236E-02 ppm1 7.653 ppm2 1.929 CV 1 ASSI { 861} (( segid " " and resid 18 and name H )) (( segid " " and resid 18 and name HB2 )) 2.500 0.800 0.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.36548E-02 ppm1 7.657 ppm2 1.594 CV 1 ASSI { 864} (( segid " " and resid 114 and name H )) ( segid " " and resid 117 and name HB% ) 4.400 2.500 1.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.63836E-03 ppm1 7.485 ppm2 1.431 CV 1 ASSI { 865} (( segid " " and resid 114 and name H )) (( segid " " and resid 113 and name HB2 )) 3.300 1.300 1.300 peak 865 spectrum 1 weight 0.10000E+01 volume 0.34051E-02 ppm1 7.487 ppm2 1.929 CV 1 ASSI { 866} (( segid " " and resid 114 and name H )) (( segid " " and resid 113 and name HB3 )) 3.100 1.200 1.200 peak 866 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 7.485 ppm2 1.744 CV 1 ASSI { 871} (( segid " " and resid 113 and name H )) ( segid " " and resid 112 and name HD1%) 4.400 2.400 1.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 7.652 ppm2 0.730 CV 1 ASSI { 872} (( segid " " and resid 18 and name H )) ( segid " " and resid 3 and name HB% ) 5.700 4.100 0.300 peak 872 spectrum 1 weight 0.10000E+01 volume 0.57548E-03 ppm1 7.657 ppm2 1.106 CV 1 ASSI { 878} (( segid " " and resid 112 and name H )) (( segid " " and resid 110 and name H )) 4.300 2.400 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.38491E-03 ppm1 8.754 ppm2 7.027 CV 1 ASSI { 879} (( segid " " and resid 111 and name H )) (( segid " " and resid 111 and name HA )) 2.900 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.20046E-02 ppm1 8.418 ppm2 3.996 CV 1 ASSI { 880} (( segid " " and resid 111 and name H )) (( segid " " and resid 112 and name HA )) 5.000 3.200 1.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.36207E-03 ppm1 8.414 ppm2 3.840 CV 1 ASSI { 881} (( segid " " and resid 111 and name H )) (( segid " " and resid 109 and name HA )) 4.000 2.000 2.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.48020E-03 ppm1 8.419 ppm2 3.803 CV 1 ASSI { 883} (( segid " " and resid 112 and name H )) (( segid " " and resid 110 and name HA )) 4.000 2.000 2.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.59453E-03 ppm1 8.751 ppm2 4.384 CV 1 ASSI { 884} (( segid " " and resid 111 and name H )) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 884 spectrum 1 weight 0.10000E+01 volume 0.88800E-03 ppm1 8.417 ppm2 3.459 CV 1 ASSI { 885} (( segid " " and resid 112 and name H )) (( segid " " and resid 108 and name HA )) 4.100 2.100 1.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 8.752 ppm2 3.459 CV 1 ASSI { 886} (( segid " " and resid 111 and name H )) (( segid " " and resid 110 and name HB2 )) 4.200 2.200 1.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.99471E-03 ppm1 8.416 ppm2 2.673 CV 1 ASSI { 887} (( segid " " and resid 111 and name H )) (( segid " " and resid 110 and name HB3 )) 2.700 2.700 3.300 peak 887 spectrum 1 weight 0.10000E+01 volume 0.21838E-02 ppm1 8.417 ppm2 2.575 CV 1 ASSI { 888} (( segid " " and resid 111 and name H )) (( segid " " and resid 111 and name HG3 )) 4.300 2.300 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.12138E-02 ppm1 8.418 ppm2 2.234 CV 1 ASSI { 889} (( segid " " and resid 111 and name H )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.17169E-02 ppm1 8.416 ppm2 2.016 CV 1 ASSI { 890} (( segid " " and resid 111 and name H )) (( segid " " and resid 111 and name HB2 )) 2.900 1.000 1.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.14997E-02 ppm1 8.417 ppm2 1.731 CV 1 ASSI { 891} (( segid " " and resid 111 and name H )) (( segid " " and resid 112 and name HB2 )) 4.700 2.700 1.300 peak 891 spectrum 1 weight 0.10000E+01 volume 0.54881E-03 ppm1 8.418 ppm2 1.636 CV 1 ASSI { 892} (( segid " " and resid 111 and name H )) (( segid " " and resid 106 and name HD3 )) 3.400 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 8.416 ppm2 1.495 CV 1 ASSI { 894} (( segid " " and resid 112 and name H )) ( segid " " and resid 108 and name HG1%) 3.900 1.900 1.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.59073E-03 ppm1 8.753 ppm2 0.509 CV 1 ASSI { 895} (( segid " " and resid 111 and name H )) ( segid " " and resid 112 and name HD1%) 4.900 3.000 1.100 peak 895 spectrum 1 weight 0.10000E+01 volume 0.79652E-03 ppm1 8.418 ppm2 0.735 CV 1 ASSI { 896} (( segid " " and resid 18 and name H )) ( segid " " and resid 16 and name HG2%) 4.600 2.700 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 7.657 ppm2 0.927 CV 1 ASSI { 897} (( segid " " and resid 109 and name H )) (( segid " " and resid 111 and name H )) 4.100 2.100 1.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 8.780 ppm2 8.421 CV 1 ASSI { 898} (( segid " " and resid 109 and name H )) (( segid " " and resid 108 and name H )) 3.000 1.100 1.100 peak 898 spectrum 1 weight 0.10000E+01 volume 0.87847E-03 ppm1 8.776 ppm2 7.906 CV 1 ASSI { 900} (( segid " " and resid 109 and name H )) (( segid " " and resid 107 and name HB )) 3.200 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 8.775 ppm2 4.434 CV 1 ASSI { 901} (( segid " " and resid 109 and name H )) (( segid " " and resid 176 and name HA )) 3.500 1.600 1.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 8.775 ppm2 4.256 CV 1 ASSI { 903} (( segid " " and resid 109 and name H )) (( segid " " and resid 109 and name HA )) 2.800 1.000 1.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.29118E-02 ppm1 8.776 ppm2 3.781 CV 1 ASSI { 904} (( segid " " and resid 109 and name H )) (( segid " " and resid 108 and name HA )) 3.400 1.400 1.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.88800E-03 ppm1 8.777 ppm2 3.479 CV 1 ASSI { 905} (( segid " " and resid 109 and name H )) (( segid " " and resid 176 and name HB2 )) 5.300 3.500 0.700 peak 905 spectrum 1 weight 0.10000E+01 volume 0.65932E-03 ppm1 8.778 ppm2 3.022 CV 1 ASSI { 906} (( segid " " and resid 109 and name H )) (( segid " " and resid 110 and name HB3 )) 4.900 3.000 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 8.778 ppm2 2.594 CV 1 ASSI { 907} (( segid " " and resid 109 and name H )) (( segid " " and resid 108 and name HB )) 2.800 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 8.777 ppm2 2.326 CV 1 ASSI { 908} (( segid " " and resid 109 and name H )) ( segid " " and resid 107 and name HG2%) 3.900 1.900 1.900 peak 908 spectrum 1 weight 0.10000E+01 volume 0.29764E-02 ppm1 8.776 ppm2 1.203 CV 1 ASSI { 909} (( segid " " and resid 109 and name H )) ( segid " " and resid 108 and name HG2%) 4.300 2.300 1.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.10538E-02 ppm1 8.774 ppm2 0.935 CV 1 ASSI { 910} (( segid " " and resid 109 and name H )) ( segid " " and resid 108 and name HG1%) 3.900 1.900 1.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.11986E-02 ppm1 8.776 ppm2 0.512 CV 1 ASSI { 912} (( segid " " and resid 107 and name H )) (( segid " " and resid 109 and name H )) 4.900 3.000 1.100 peak 912 spectrum 1 weight 0.10000E+01 volume 0.30299E-03 ppm1 8.512 ppm2 8.783 CV 1 ASSI { 913} (( segid " " and resid 107 and name H )) (( segid " " and resid 108 and name H )) 5.000 3.100 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.35062E-03 ppm1 8.513 ppm2 7.900 CV 1 ASSI { 919} (( segid " " and resid 108 and name H )) (( segid " " and resid 107 and name HB )) 2.600 0.800 0.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.93755E-03 ppm1 7.907 ppm2 4.433 CV 1 ASSI { 921} (( segid " " and resid 107 and name H )) (( segid " " and resid 107 and name HB )) 4.100 2.100 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 8.515 ppm2 4.429 CV 1 ASSI { 922} (( segid " " and resid 107 and name H )) (( segid " " and resid 107 and name HA )) 3.400 1.400 1.400 peak 922 spectrum 1 weight 0.10000E+01 volume 0.88609E-03 ppm1 8.513 ppm2 3.790 CV 1 ASSI { 925} (( segid " " and resid 107 and name H )) (( segid " " and resid 110 and name HB2 )) 3.900 1.900 1.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.89751E-03 ppm1 8.512 ppm2 2.675 CV 1 ASSI { 927} (( segid " " and resid 108 and name H )) (( segid " " and resid 108 and name HB )) 3.000 1.100 1.100 peak 927 spectrum 1 weight 0.10000E+01 volume 0.84417E-03 ppm1 7.908 ppm2 2.323 CV 1 ASSI { 928} (( segid " " and resid 107 and name H )) (( segid " " and resid 106 and name HB3 )) 4.200 2.200 1.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 8.511 ppm2 1.962 CV 1 ASSI { 929} (( segid " " and resid 107 and name H )) (( segid " " and resid 106 and name HB2 )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.10000E+01 volume 0.94706E-03 ppm1 8.511 ppm2 1.832 CV 1 ASSI { 930} (( segid " " and resid 107 and name H )) (( segid " " and resid 106 and name HD2 )) 4.500 2.500 1.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.78510E-03 ppm1 8.512 ppm2 1.467 CV 1 ASSI { 931} (( segid " " and resid 107 and name H )) (( segid " " and resid 106 and name HG2 )) 5.200 3.400 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.67456E-03 ppm1 8.513 ppm2 1.330 CV 1 ASSI { 937} (( segid " " and resid 106 and name H )) (( segid " " and resid 105 and name H )) 2.900 1.100 1.100 peak 937 spectrum 1 weight 0.10000E+01 volume 0.18331E-02 ppm1 7.228 ppm2 8.598 CV 1 ASSI { 938} (( segid " " and resid 106 and name H )) (( segid " " and resid 107 and name H )) 4.600 2.600 1.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.70697E-03 ppm1 7.227 ppm2 8.517 CV 1 ASSI { 939} (( segid " " and resid 106 and name H )) (( segid " " and resid 104 and name H )) 4.700 2.800 1.300 peak 939 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 7.229 ppm2 8.406 CV 1 ASSI { 940} (( segid " " and resid 105 and name H )) (( segid " " and resid 104 and name H )) 3.100 1.200 1.200 peak 940 spectrum 1 weight 0.10000E+01 volume 0.70315E-03 ppm1 8.598 ppm2 8.398 CV 1 ASSI { 941} (( segid " " and resid 105 and name H )) (( segid " " and resid 61 and name HD1 )) 4.400 2.400 1.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 8.592 ppm2 7.323 CV 1 ASSI { 943} (( segid " " and resid 106 and name H )) (( segid " " and resid 106 and name HA )) 3.100 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.18008E-02 ppm1 7.228 ppm2 4.509 CV 1 ASSI { 944} (( segid " " and resid 106 and name H )) (( segid " " and resid 104 and name HA )) 3.600 1.600 1.600 peak 944 spectrum 1 weight 0.10000E+01 volume 0.77556E-03 ppm1 7.229 ppm2 4.245 CV 1 ASSI { 946} (( segid " " and resid 105 and name H )) (( segid " " and resid 106 and name HA )) 4.800 2.900 1.200 peak 946 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 8.601 ppm2 4.510 CV 1 ASSI { 947} (( segid " " and resid 105 and name H )) (( segid " " and resid 104 and name HA )) 3.900 1.900 1.900 peak 947 spectrum 1 weight 0.10000E+01 volume 0.69172E-03 ppm1 8.598 ppm2 4.245 CV 1 ASSI { 948} (( segid " " and resid 105 and name H )) (( segid " " and resid 105 and name HA )) 3.200 1.300 1.300 peak 948 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 8.596 ppm2 4.156 CV 1 ASSI { 949} (( segid " " and resid 106 and name H )) (( segid " " and resid 105 and name HB2 )) 4.500 2.500 1.500 peak 949 spectrum 1 weight 0.10000E+01 volume 0.53356E-03 ppm1 7.225 ppm2 3.699 CV 1 ASSI { 950} (( segid " " and resid 105 and name H )) (( segid " " and resid 105 and name HB2 )) 3.900 1.900 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.96422E-03 ppm1 8.599 ppm2 3.704 CV 1 ASSI { 952} (( segid " " and resid 105 and name H )) (( segid " " and resid 105 and name HB3 )) 3.200 1.300 1.300 peak 952 spectrum 1 weight 0.10000E+01 volume 0.91085E-03 ppm1 8.597 ppm2 2.422 CV 1 ASSI { 953} (( segid " " and resid 105 and name H )) (( segid " " and resid 103 and name HB2 )) 5.000 3.200 1.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.28394E-03 ppm1 8.602 ppm2 2.241 CV 1 ASSI { 954} (( segid " " and resid 105 and name H )) (( segid " " and resid 106 and name HB3 )) 4.200 2.200 1.800 peak 954 spectrum 1 weight 0.10000E+01 volume 0.54499E-03 ppm1 8.598 ppm2 1.953 CV 1 ASSI { 955} (( segid " " and resid 105 and name H )) (( segid " " and resid 106 and name HB2 )) 5.500 3.700 0.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.34682E-03 ppm1 8.596 ppm2 1.842 CV 1 ASSI { 956} (( segid " " and resid 106 and name H )) (( segid " " and resid 105 and name HB3 )) 4.600 2.600 1.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.44970E-03 ppm1 7.231 ppm2 2.430 CV 1 ASSI { 957} (( segid " " and resid 106 and name H )) (( segid " " and resid 103 and name HB2 )) 4.600 2.700 1.400 peak 957 spectrum 1 weight 0.10000E+01 volume 0.60786E-03 ppm1 7.226 ppm2 2.246 CV 1 ASSI { 958} (( segid " " and resid 106 and name H )) (( segid " " and resid 106 and name HB3 )) 3.100 1.200 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.25763E-02 ppm1 7.228 ppm2 1.957 CV 1 ASSI { 959} (( segid " " and resid 106 and name H )) (( segid " " and resid 106 and name HB2 )) 3.700 1.700 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.19913E-02 ppm1 7.228 ppm2 1.836 CV 1 ASSI { 961} (( segid " " and resid 106 and name H )) (( segid " " and resid 106 and name HD2 )) 4.600 2.600 1.400 peak 961 spectrum 1 weight 0.10000E+01 volume 0.67265E-03 ppm1 7.228 ppm2 1.475 CV 1 ASSI { 962} (( segid " " and resid 106 and name H )) (( segid " " and resid 106 and name HG2 )) 3.500 1.600 1.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.15244E-02 ppm1 7.229 ppm2 1.327 CV 1 ASSI { 963} (( segid " " and resid 106 and name H )) (( segid " " and resid 106 and name HG3 )) 2.600 0.800 0.800 peak 963 spectrum 1 weight 0.10000E+01 volume 0.19056E-02 ppm1 7.228 ppm2 1.145 CV 1 ASSI { 964} (( segid " " and resid 105 and name H )) (( segid " " and resid 106 and name HD2 )) 5.500 3.800 0.500 peak 964 spectrum 1 weight 0.10000E+01 volume 0.27441E-03 ppm1 8.602 ppm2 1.484 CV 1 ASSI { 965} (( segid " " and resid 105 and name H )) (( segid " " and resid 106 and name HG2 )) 4.500 2.600 1.500 peak 965 spectrum 1 weight 0.10000E+01 volume 0.34682E-03 ppm1 8.596 ppm2 1.331 CV 1 ASSI { 966} (( segid " " and resid 105 and name H )) (( segid " " and resid 106 and name HG3 )) 4.100 2.100 1.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.65743E-03 ppm1 8.595 ppm2 1.142 CV 1 ASSI { 967} (( segid " " and resid 105 and name H )) (( segid " " and resid 84 and name HD3 )) 4.300 2.300 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.25916E-03 ppm1 8.599 ppm2 1.050 CV 1 OR { 967} (( segid " " and resid 105 and name H )) (( segid " " and resid 84 and name HD2 )) ASSI { 968} (( segid " " and resid 106 and name H )) ( segid " " and resid 102 and name HG1%) 5.500 3.800 0.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.44019E-03 ppm1 7.227 ppm2 0.735 CV 1 ASSI { 970} (( segid " " and resid 104 and name H )) (( segid " " and resid 103 and name H )) 5.200 3.300 0.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.28394E-03 ppm1 8.395 ppm2 8.017 CV 1 ASSI { 974} (( segid " " and resid 104 and name H )) (( segid " " and resid 104 and name HA )) 3.200 1.300 1.300 peak 974 spectrum 1 weight 0.10000E+01 volume 0.12577E-02 ppm1 8.392 ppm2 4.239 CV 1 ASSI { 976} (( segid " " and resid 104 and name H )) (( segid " " and resid 85 and name HA )) 4.500 2.500 1.500 peak 976 spectrum 1 weight 0.10000E+01 volume 0.31441E-03 ppm1 8.390 ppm2 4.675 CV 1 ASSI { 979} (( segid " " and resid 104 and name H )) (( segid " " and resid 104 and name HB3 )) 3.100 1.200 1.200 peak 979 spectrum 1 weight 0.10000E+01 volume 0.98900E-03 ppm1 8.397 ppm2 2.464 CV 1 ASSI { 980} (( segid " " and resid 104 and name H )) (( segid " " and resid 103 and name HB2 )) 4.500 2.500 1.500 peak 980 spectrum 1 weight 0.10000E+01 volume 0.50689E-03 ppm1 8.398 ppm2 2.247 CV 1 ASSI { 981} (( segid " " and resid 103 and name H )) (( segid " " and resid 103 and name HB2 )) 2.700 0.900 0.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 8.021 ppm2 2.249 CV 1 ASSI { 982} (( segid " " and resid 103 and name H )) (( segid " " and resid 103 and name HB3 )) 3.400 1.400 1.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.19208E-02 ppm1 8.021 ppm2 2.608 CV 1 ASSI { 983} (( segid " " and resid 103 and name H )) (( segid " " and resid 102 and name HB )) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.10000E+01 volume 0.24620E-02 ppm1 8.021 ppm2 1.954 CV 1 ASSI { 984} (( segid " " and resid 104 and name H )) (( segid " " and resid 106 and name HG3 )) 4.400 2.500 1.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.32775E-03 ppm1 8.396 ppm2 1.143 CV 1 ASSI { 987} (( segid " " and resid 104 and name H )) ( segid " " and resid 102 and name HG1%) 4.900 3.000 1.100 peak 987 spectrum 1 weight 0.10000E+01 volume 0.47069E-03 ppm1 8.398 ppm2 0.735 CV 1 ASSI { 989} (( segid " " and resid 101 and name H )) (( segid " " and resid 102 and name H )) 4.600 2.600 1.400 peak 989 spectrum 1 weight 0.10000E+01 volume 0.47069E-03 ppm1 8.323 ppm2 8.821 CV 1 ASSI { 993} (( segid " " and resid 102 and name H )) (( segid " " and resid 103 and name H )) 4.800 2.800 1.200 peak 993 spectrum 1 weight 0.10000E+01 volume 0.35444E-03 ppm1 8.819 ppm2 8.021 CV 1 ASSI { 996} (( segid " " and resid 102 and name H )) (( segid " " and resid 101 and name HG3 )) 2.900 2.900 3.100 peak 996 spectrum 1 weight 0.10000E+01 volume 0.44590E-03 ppm1 8.814 ppm2 2.504 CV 1 ASSI { 997} (( segid " " and resid 102 and name H )) (( segid " " and resid 101 and name HG2 )) 2.900 2.900 3.100 peak 997 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 8.817 ppm2 2.440 CV 1 ASSI { 998} (( segid " " and resid 101 and name H )) (( segid " " and resid 101 and name HG3 )) 4.000 2.000 2.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.16388E-02 ppm1 8.324 ppm2 2.495 CV 1 ASSI { 999} (( segid " " and resid 101 and name H )) (( segid " " and resid 101 and name HG2 )) 2.700 0.900 0.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 8.324 ppm2 2.439 CV 1 ASSI { 1000} (( segid " " and resid 102 and name H )) (( segid " " and resid 102 and name HB )) 3.600 1.600 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.77365E-03 ppm1 8.821 ppm2 1.938 CV 1 ASSI { 1001} (( segid " " and resid 102 and name H )) (( segid " " and resid 101 and name HB2 )) 4.300 2.300 1.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 8.818 ppm2 1.887 CV 1 ASSI { 1004} (( segid " " and resid 101 and name H )) (( segid " " and resid 101 and name HB2 )) 2.600 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.20371E-02 ppm1 8.326 ppm2 1.884 CV 1 ASSI { 1006} (( segid " " and resid 101 and name H )) (( segid " " and resid 101 and name HB3 )) 3.400 1.400 1.400 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.26487E-02 ppm1 8.326 ppm2 1.578 CV 1 ASSI { 1008} (( segid " " and resid 101 and name H )) (( segid " " and resid 100 and name HG13)) 4.900 3.000 1.100 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.53736E-03 ppm1 8.322 ppm2 1.070 CV 1 ASSI { 1009} (( segid " " and resid 101 and name H )) ( segid " " and resid 99 and name HG2%) 3.000 3.000 3.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.35824E-03 ppm1 8.328 ppm2 0.911 CV 1 ASSI { 1013} (( segid " " and resid 100 and name H )) (( segid " " and resid 88 and name H )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.80034E-03 ppm1 9.166 ppm2 9.021 CV 1 ASSI { 1014} (( segid " " and resid 100 and name H )) (( segid " " and resid 90 and name H )) 4.500 2.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.63836E-03 ppm1 9.166 ppm2 8.806 CV 1 ASSI { 1015} (( segid " " and resid 100 and name H )) (( segid " " and resid 99 and name H )) 4.500 2.600 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.49736E-03 ppm1 9.165 ppm2 8.410 CV 1 ASSI { 1016} (( segid " " and resid 100 and name H )) (( segid " " and resid 101 and name H )) 4.700 2.700 1.300 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.41352E-03 ppm1 9.166 ppm2 8.326 CV 1 ASSI { 1017} (( segid " " and resid 100 and name H )) (( segid " " and resid 99 and name HA )) 2.400 0.700 0.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.38551E-02 ppm1 9.166 ppm2 4.931 CV 1 ASSI { 1020} (( segid " " and resid 99 and name H )) (( segid " " and resid 99 and name HA )) 3.100 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.14844E-02 ppm1 8.414 ppm2 4.930 CV 1 ASSI { 1021} (( segid " " and resid 99 and name H )) (( segid " " and resid 98 and name HA )) 2.300 0.600 0.600 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.89046E-02 ppm1 8.414 ppm2 4.603 CV 1 ASSI { 1022} (( segid " " and resid 99 and name H )) (( segid " " and resid 99 and name HB )) 2.600 0.800 0.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.42913E-02 ppm1 8.414 ppm2 3.824 CV 1 ASSI { 1023} (( segid " " and resid 100 and name H )) (( segid " " and resid 99 and name HB )) 4.500 2.600 1.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.62885E-03 ppm1 9.168 ppm2 3.829 CV 1 ASSI { 1025} (( segid " " and resid 31 and name H )) (( segid " " and resid 31 and name HG2 )) 3.700 1.800 1.800 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.20580E-02 ppm1 8.329 ppm2 2.724 CV 1 ASSI { 1026} (( segid " " and resid 31 and name H )) (( segid " " and resid 31 and name HG3 )) 2.500 0.800 0.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.17474E-02 ppm1 8.329 ppm2 2.523 CV 1 ASSI { 1027} (( segid " " and resid 31 and name H )) (( segid " " and resid 31 and name HB3 )) 3.900 1.900 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.14101E-02 ppm1 8.330 ppm2 2.329 CV 1 ASSI { 1029} (( segid " " and resid 100 and name H )) (( segid " " and resid 88 and name HB2 )) 4.000 2.000 2.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.49544E-03 ppm1 9.168 ppm2 1.848 CV 1 ASSI { 1034} (( segid " " and resid 98 and name H )) (( segid " " and resid 98 and name HG3 )) 3.200 1.300 1.300 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.10443E-02 ppm1 9.128 ppm2 1.319 CV 1 ASSI { 1037} (( segid " " and resid 100 and name H )) (( segid " " and resid 100 and name HG13)) 4.300 2.300 1.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 9.164 ppm2 1.074 CV 1 ASSI { 1040} (( segid " " and resid 99 and name H )) (( segid " " and resid 98 and name HB2 )) 2.700 0.900 0.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.27689E-02 ppm1 8.414 ppm2 1.635 CV 1 ASSI { 1047} (( segid " " and resid 98 and name H )) (( segid " " and resid 97 and name H )) 4.200 2.200 1.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.97755E-03 ppm1 9.129 ppm2 8.407 CV 1 ASSI { 1052} (( segid " " and resid 97 and name H )) (( segid " " and resid 96 and name HB )) 3.500 1.500 1.500 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.30927E-02 ppm1 8.394 ppm2 4.068 CV 1 ASSI { 1053} (( segid " " and resid 97 and name H )) (( segid " " and resid 97 and name HA )) 3.100 1.200 1.200 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.13339E-02 ppm1 8.393 ppm2 4.870 CV 1 ASSI { 1054} (( segid " " and resid 97 and name H )) (( segid " " and resid 97 and name HB )) 2.500 0.800 0.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.43732E-02 ppm1 8.394 ppm2 1.808 CV 1 ASSI { 1055} (( segid " " and resid 97 and name H )) (( segid " " and resid 91 and name HG3 )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.34682E-03 ppm1 8.392 ppm2 1.358 CV 1 ASSI { 1062} (( segid " " and resid 96 and name H )) (( segid " " and resid 92 and name H )) 3.500 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 8.050 ppm2 8.937 CV 1 ASSI { 1063} (( segid " " and resid 96 and name H )) (( segid " " and resid 93 and name H )) 5.000 3.100 1.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.35062E-03 ppm1 8.046 ppm2 8.497 CV 1 ASSI { 1064} (( segid " " and resid 96 and name H )) (( segid " " and resid 97 and name H )) 4.300 2.300 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.11643E-02 ppm1 8.049 ppm2 8.395 CV 1 ASSI { 1065} (( segid " " and resid 95 and name H )) (( segid " " and resid 94 and name H )) 2.600 0.800 0.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.30451E-02 ppm1 7.983 ppm2 7.667 CV 1 ASSI { 1066} (( segid " " and resid 95 and name H )) (( segid " " and resid 92 and name H )) 4.000 2.000 2.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.58882E-03 ppm1 7.982 ppm2 8.939 CV 1 ASSI { 1067} (( segid " " and resid 95 and name H )) (( segid " " and resid 93 and name H )) 3.900 1.900 1.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.49736E-03 ppm1 7.983 ppm2 8.496 CV 1 ASSI { 1068} (( segid " " and resid 96 and name H )) (( segid " " and resid 92 and name HA )) 4.900 3.000 1.100 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.40590E-03 ppm1 8.051 ppm2 4.579 CV 1 ASSI { 1069} (( segid " " and resid 96 and name H )) (( segid " " and resid 95 and name HA2 )) 3.400 1.400 1.400 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.13453E-02 ppm1 8.050 ppm2 4.318 CV 1 ASSI { 1070} (( segid " " and resid 96 and name H )) (( segid " " and resid 96 and name HA )) 2.800 1.000 1.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.26526E-02 ppm1 8.050 ppm2 4.173 CV 1 ASSI { 1071} (( segid " " and resid 96 and name H )) (( segid " " and resid 96 and name HB )) 2.800 0.900 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.23438E-02 ppm1 8.050 ppm2 4.068 CV 1 ASSI { 1072} (( segid " " and resid 95 and name H )) (( segid " " and resid 92 and name HA )) 4.400 2.400 1.600 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 7.984 ppm2 4.574 CV 1 ASSI { 1073} (( segid " " and resid 95 and name H )) (( segid " " and resid 94 and name HA )) 3.100 1.200 1.200 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.22486E-02 ppm1 7.983 ppm2 4.440 CV 1 ASSI { 1074} (( segid " " and resid 95 and name H )) (( segid " " and resid 95 and name HA2 )) 2.500 0.800 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.41179E-02 ppm1 7.983 ppm2 4.320 CV 1 ASSI { 1075} (( segid " " and resid 95 and name H )) (( segid " " and resid 96 and name HA )) 5.300 3.500 0.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.43448E-03 ppm1 7.981 ppm2 4.170 CV 1 ASSI { 1076} (( segid " " and resid 95 and name H )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 7.983 ppm2 4.070 CV 1 ASSI { 1077} (( segid " " and resid 96 and name H )) (( segid " " and resid 95 and name HA3 )) 3.700 1.700 1.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 8.050 ppm2 3.491 CV 1 ASSI { 1078} (( segid " " and resid 96 and name H )) (( segid " " and resid 94 and name HB3 )) 4.400 2.400 1.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.40590E-03 ppm1 8.049 ppm2 3.028 CV 1 ASSI { 1079} (( segid " " and resid 95 and name H )) (( segid " " and resid 95 and name HA3 )) 3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.42647E-02 ppm1 7.983 ppm2 3.495 CV 1 ASSI { 1080} (( segid " " and resid 95 and name H )) (( segid " " and resid 94 and name HB3 )) 4.100 2.100 1.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.84226E-03 ppm1 7.982 ppm2 3.027 CV 1 ASSI { 1081} (( segid " " and resid 96 and name H )) (( segid " " and resid 92 and name HG3 )) 4.900 3.000 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.72602E-03 ppm1 8.051 ppm2 2.575 CV 1 ASSI { 1082} (( segid " " and resid 96 and name H )) (( segid " " and resid 92 and name HB3 )) 3.900 1.900 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.11472E-02 ppm1 8.050 ppm2 2.253 CV 1 ASSI { 1083} (( segid " " and resid 95 and name H )) (( segid " " and resid 94 and name HB2 )) 3.900 1.900 1.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.78701E-03 ppm1 7.982 ppm2 2.541 CV 1 ASSI { 1084} (( segid " " and resid 95 and name H )) (( segid " " and resid 92 and name HG2 )) 5.400 3.600 0.600 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.37349E-03 ppm1 7.979 ppm2 2.444 CV 1 ASSI { 1085} (( segid " " and resid 95 and name H )) (( segid " " and resid 92 and name HB3 )) 3.800 1.800 1.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.90705E-03 ppm1 7.983 ppm2 2.251 CV 1 ASSI { 1086} (( segid " " and resid 95 and name H )) (( segid " " and resid 93 and name HB2 )) 4.200 2.200 1.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.77747E-03 ppm1 7.984 ppm2 1.727 CV 1 ASSI { 1087} (( segid " " and resid 95 and name H )) (( segid " " and resid 93 and name HB3 )) 4.200 2.300 1.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 7.983 ppm2 1.637 CV 1 ASSI { 1088} (( segid " " and resid 95 and name H )) (( segid " " and resid 91 and name HG3 )) 4.600 2.700 1.400 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.83844E-03 ppm1 7.982 ppm2 1.367 CV 1 ASSI { 1089} (( segid " " and resid 96 and name H )) (( segid " " and resid 91 and name HG3 )) 4.100 2.100 1.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.52974E-03 ppm1 8.051 ppm2 1.364 CV 1 ASSI { 1090} (( segid " " and resid 95 and name H )) ( segid " " and resid 96 and name HG2%) 5.700 4.100 0.300 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.63836E-03 ppm1 7.983 ppm2 1.072 CV 1 ASSI { 1091} (( segid " " and resid 95 and name H )) ( segid " " and resid 93 and name HD2%) 4.400 2.500 1.600 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.63073E-03 ppm1 7.984 ppm2 0.952 CV 1 ASSI { 1092} (( segid " " and resid 96 and name H )) ( segid " " and resid 97 and name HG1%) 5.300 3.500 0.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.44019E-03 ppm1 8.052 ppm2 0.821 CV 1 ASSI { 1094} (( segid " " and resid 94 and name H )) (( segid " " and resid 92 and name H )) 4.800 2.900 1.200 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.52403E-03 ppm1 7.666 ppm2 8.936 CV 1 ASSI { 1095} (( segid " " and resid 94 and name H )) (( segid " " and resid 93 and name H )) 2.800 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.18884E-02 ppm1 7.668 ppm2 8.494 CV 1 ASSI { 1096} (( segid " " and resid 93 and name H )) (( segid " " and resid 92 and name H )) 5.000 3.100 1.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 8.494 ppm2 8.938 CV 1 ASSI { 1100} (( segid " " and resid 94 and name H )) (( segid " " and resid 92 and name HA )) 4.100 2.100 1.900 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.12825E-02 ppm1 7.666 ppm2 4.573 CV 1 ASSI { 1101} (( segid " " and resid 94 and name H )) (( segid " " and resid 94 and name HA )) 2.700 0.900 0.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.45676E-02 ppm1 7.667 ppm2 4.441 CV 1 ASSI { 1102} (( segid " " and resid 94 and name H )) (( segid " " and resid 95 and name HA2 )) 5.200 3.400 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.54499E-03 ppm1 7.668 ppm2 4.320 CV 1 ASSI { 1103} (( segid " " and resid 94 and name H )) (( segid " " and resid 93 and name HA )) 3.300 1.300 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.19761E-02 ppm1 7.668 ppm2 4.069 CV 1 ASSI { 1104} (( segid " " and resid 93 and name H )) (( segid " " and resid 92 and name HA )) 2.500 0.800 0.800 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.25135E-02 ppm1 8.494 ppm2 4.572 CV 1 ASSI { 1105} (( segid " " and resid 93 and name H )) (( segid " " and resid 94 and name HA )) 5.400 3.700 0.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.28774E-03 ppm1 8.492 ppm2 4.443 CV 1 ASSI { 1106} (( segid " " and resid 94 and name H )) (( segid " " and resid 94 and name HB3 )) 3.400 1.400 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.28164E-02 ppm1 7.667 ppm2 3.037 CV 1 ASSI { 1107} (( segid " " and resid 94 and name H )) (( segid " " and resid 95 and name HA3 )) 5.400 3.600 0.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 7.665 ppm2 3.503 CV 1 ASSI { 1108} (( segid " " and resid 93 and name H )) (( segid " " and resid 92 and name HG3 )) 3.800 1.800 1.800 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.81559E-03 ppm1 8.494 ppm2 2.584 CV 1 ASSI { 1109} (( segid " " and resid 93 and name H )) (( segid " " and resid 92 and name HG2 )) 4.700 2.800 1.300 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.61931E-03 ppm1 8.496 ppm2 2.445 CV 1 ASSI { 1110} (( segid " " and resid 93 and name H )) (( segid " " and resid 92 and name HB3 )) 2.400 0.700 0.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.17969E-02 ppm1 8.495 ppm2 2.249 CV 1 ASSI { 1111} (( segid " " and resid 94 and name H )) (( segid " " and resid 94 and name HB2 )) 2.600 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.31842E-02 ppm1 7.667 ppm2 2.536 CV 1 ASSI { 1112} (( segid " " and resid 94 and name H )) (( segid " " and resid 92 and name HB3 )) 2.600 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.26696E-02 ppm1 7.667 ppm2 2.253 CV 1 ASSI { 1114} (( segid " " and resid 93 and name H )) (( segid " " and resid 93 and name HB2 )) 2.600 0.800 0.800 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.40856E-02 ppm1 8.494 ppm2 1.741 CV 1 ASSI { 1116} (( segid " " and resid 94 and name H )) (( segid " " and resid 93 and name HB2 )) 2.600 0.800 0.800 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.24544E-02 ppm1 7.666 ppm2 1.737 CV 1 ASSI { 1120} (( segid " " and resid 93 and name H )) ( segid " " and resid 93 and name HD2%) 2.500 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.22771E-02 ppm1 8.494 ppm2 0.954 CV 1 OR { 1120} (( segid " " and resid 93 and name H )) ( segid " " and resid 93 and name HD1%) ASSI { 1122} (( segid " " and resid 91 and name H )) (( segid " " and resid 90 and name H )) 4.800 2.900 1.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.30299E-03 ppm1 9.215 ppm2 8.799 CV 1 ASSI { 1127} (( segid " " and resid 92 and name H )) (( segid " " and resid 92 and name HA )) 3.100 1.200 1.200 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.10404E-02 ppm1 8.936 ppm2 4.575 CV 1 ASSI { 1131} (( segid " " and resid 92 and name H )) (( segid " " and resid 92 and name HG2 )) 3.600 1.600 1.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.11090E-02 ppm1 8.937 ppm2 2.442 CV 1 ASSI { 1132} (( segid " " and resid 92 and name H )) (( segid " " and resid 92 and name HB3 )) 3.800 1.800 1.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.11643E-02 ppm1 8.937 ppm2 2.253 CV 1 ASSI { 1134} (( segid " " and resid 92 and name H )) (( segid " " and resid 91 and name HG3 )) 3.600 1.700 1.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.98326E-03 ppm1 8.938 ppm2 1.369 CV 1 ASSI { 1135} (( segid " " and resid 91 and name H )) (( segid " " and resid 91 and name HB2 )) 2.900 1.100 1.100 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 9.214 ppm2 1.378 CV 1 ASSI { 1139} (( segid " " and resid 91 and name H )) ( segid " " and resid 90 and name HG2%) 3.000 1.100 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.18541E-02 ppm1 9.213 ppm2 0.637 CV 1 OR { 1139} (( segid " " and resid 91 and name H )) ( segid " " and resid 90 and name HD1%) ASSI { 1140} (( segid " " and resid 92 and name H )) ( segid " " and resid 93 and name HD2%) 6.000 4.500 0.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.32966E-03 ppm1 8.940 ppm2 0.934 CV 1 ASSI { 1141} (( segid " " and resid 92 and name H )) ( segid " " and resid 97 and name HG2%) 4.900 3.000 1.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.72984E-03 ppm1 8.937 ppm2 0.696 CV 1 ASSI { 1142} (( segid " " and resid 90 and name H )) (( segid " " and resid 98 and name H )) 3.200 1.300 1.300 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.94706E-03 ppm1 8.808 ppm2 9.146 CV 1 ASSI { 1143} (( segid " " and resid 89 and name H )) (( segid " " and resid 90 and name H )) 5.100 3.300 0.900 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.32203E-03 ppm1 8.482 ppm2 8.810 CV 1 ASSI { 1144} (( segid " " and resid 89 and name H )) (( segid " " and resid 88 and name H )) 4.900 3.000 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 8.484 ppm2 9.020 CV 1 ASSI { 1145} (( segid " " and resid 89 and name H )) (( segid " " and resid 88 and name HA )) 2.600 0.800 0.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.28678E-02 ppm1 8.481 ppm2 4.625 CV 1 ASSI { 1147} (( segid " " and resid 90 and name H )) (( segid " " and resid 99 and name HA )) 3.700 1.700 1.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 8.806 ppm2 4.927 CV 1 ASSI { 1148} (( segid " " and resid 90 and name H )) (( segid " " and resid 89 and name HA )) 2.500 0.800 0.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.30947E-02 ppm1 8.806 ppm2 4.642 CV 1 ASSI { 1149} (( segid " " and resid 90 and name H )) (( segid " " and resid 89 and name HB3 )) 4.000 2.000 2.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 8.804 ppm2 1.815 CV 1 ASSI { 1151} (( segid " " and resid 90 and name H )) (( segid " " and resid 89 and name HD3 )) 5.200 3.400 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.44399E-03 ppm1 8.803 ppm2 1.497 CV 1 OR { 1151} (( segid " " and resid 90 and name H )) (( segid " " and resid 89 and name HD2 )) ASSI { 1152} (( segid " " and resid 90 and name H )) (( segid " " and resid 98 and name HG3 )) 3.100 1.200 1.200 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 8.805 ppm2 1.329 CV 1 ASSI { 1154} (( segid " " and resid 89 and name H )) (( segid " " and resid 89 and name HB3 )) 4.000 2.000 2.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 8.482 ppm2 1.817 CV 1 ASSI { 1155} (( segid " " and resid 89 and name H )) (( segid " " and resid 89 and name HD3 )) 4.200 2.200 1.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 8.482 ppm2 1.477 CV 1 OR { 1155} (( segid " " and resid 89 and name H )) (( segid " " and resid 89 and name HD2 )) ASSI { 1156} (( segid " " and resid 89 and name H )) (( segid " " and resid 89 and name HG3 )) 3.500 1.500 1.500 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.18312E-02 ppm1 8.482 ppm2 1.317 CV 1 ASSI { 1157} (( segid " " and resid 89 and name H )) (( segid " " and resid 88 and name HB3 )) 4.300 2.300 1.700 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.52403E-03 ppm1 8.482 ppm2 1.092 CV 1 ASSI { 1163} (( segid " " and resid 89 and name H )) ( segid " " and resid 88 and name HD1%) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 8.480 ppm2 0.697 CV 1 ASSI { 1164} (( segid " " and resid 88 and name H )) (( segid " " and resid 102 and name H )) 3.900 1.900 1.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.58690E-03 ppm1 9.021 ppm2 8.817 CV 1 ASSI { 1167} (( segid " " and resid 88 and name H )) (( segid " " and resid 101 and name HA )) 3.300 1.300 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.10462E-02 ppm1 9.020 ppm2 4.858 CV 1 ASSI { 1168} (( segid " " and resid 88 and name H )) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.34263E-02 ppm1 9.020 ppm2 4.634 CV 1 ASSI { 1169} (( segid " " and resid 88 and name H )) (( segid " " and resid 100 and name HA )) 4.500 2.600 1.500 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.28774E-03 ppm1 9.022 ppm2 4.271 CV 1 ASSI { 1170} (( segid " " and resid 88 and name H )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.13377E-02 ppm1 9.020 ppm2 1.861 CV 1 ASSI { 1172} (( segid " " and resid 88 and name H )) (( segid " " and resid 87 and name HB2 )) 4.400 2.400 1.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.84226E-03 ppm1 9.021 ppm2 1.667 CV 1 ASSI { 1173} (( segid " " and resid 88 and name H )) (( segid " " and resid 100 and name HB )) 4.600 2.700 1.400 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.41352E-03 ppm1 9.022 ppm2 1.586 CV 1 ASSI { 1174} (( segid " " and resid 88 and name H )) (( segid " " and resid 88 and name HG )) 4.300 2.300 1.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.59073E-03 ppm1 9.023 ppm2 1.299 CV 1 ASSI { 1175} (( segid " " and resid 88 and name H )) (( segid " " and resid 88 and name HB3 )) 3.800 1.800 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.93755E-03 ppm1 9.020 ppm2 1.086 CV 1 ASSI { 1177} (( segid " " and resid 88 and name H )) ( segid " " and resid 88 and name HD2%) 4.700 2.800 1.300 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.85180E-03 ppm1 9.022 ppm2 0.772 CV 1 ASSI { 1180} (( segid " " and resid 86 and name H )) (( segid " " and resid 103 and name H )) 5.000 3.100 1.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.28965E-03 ppm1 9.301 ppm2 8.017 CV 1 ASSI { 1181} (( segid " " and resid 86 and name H )) (( segid " " and resid 102 and name H )) 2.900 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 9.303 ppm2 8.819 CV 1 ASSI { 1182} (( segid " " and resid 86 and name H )) (( segid " " and resid 104 and name H )) 4.900 3.000 1.100 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 9.303 ppm2 8.392 CV 1 ASSI { 1183} (( segid " " and resid 85 and name H )) (( segid " " and resid 86 and name H )) 3.900 1.900 1.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.80797E-03 ppm1 7.131 ppm2 9.303 CV 1 ASSI { 1184} (( segid " " and resid 85 and name H )) (( segid " " and resid 104 and name H )) 4.400 2.400 1.600 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.44210E-03 ppm1 7.129 ppm2 8.411 CV 1 ASSI { 1185} (( segid " " and resid 85 and name H )) (( segid " " and resid 84 and name H )) 2.600 0.800 0.800 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.18370E-02 ppm1 7.129 ppm2 8.105 CV 1 ASSI { 1186} (( segid " " and resid 84 and name H )) (( segid " " and resid 48 and name H )) 3.600 1.600 1.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.52785E-03 ppm1 8.103 ppm2 8.608 CV 1 ASSI { 1189} (( segid " " and resid 84 and name H )) ( segid " " and resid 47 and name HD% ) 4.800 2.800 1.200 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.42112E-03 ppm1 8.105 ppm2 6.706 CV 1 ASSI { 1190} (( segid " " and resid 85 and name H )) ( segid " " and resid 47 and name HD% ) 3.100 3.100 2.900 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.30870E-03 ppm1 7.131 ppm2 6.712 CV 1 ASSI { 1191} (( segid " " and resid 85 and name H )) (( segid " " and resid 85 and name HE21)) 4.900 3.000 1.100 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 7.131 ppm2 6.469 CV 1 ASSI { 1192} (( segid " " and resid 85 and name H )) (( segid " " and resid 47 and name HA )) 4.400 2.500 1.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.73935E-03 ppm1 7.128 ppm2 4.875 CV 1 ASSI { 1193} (( segid " " and resid 85 and name H )) (( segid " " and resid 85 and name HA )) 3.200 1.300 1.300 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.65932E-03 ppm1 7.128 ppm2 4.677 CV 1 ASSI { 1194} (( segid " " and resid 85 and name H )) (( segid " " and resid 46 and name HA )) 4.900 3.000 1.100 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 7.128 ppm2 4.472 CV 1 ASSI { 1195} (( segid " " and resid 85 and name H )) (( segid " " and resid 103 and name HA )) 4.100 2.100 1.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 7.128 ppm2 4.190 CV 1 ASSI { 1196} (( segid " " and resid 85 and name H )) (( segid " " and resid 84 and name HA )) 3.000 1.200 1.200 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 7.130 ppm2 3.703 CV 1 ASSI { 1197} (( segid " " and resid 85 and name H )) (( segid " " and resid 83 and name HA )) 3.600 1.600 1.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 7.129 ppm2 3.526 CV 1 ASSI { 1199} (( segid " " and resid 86 and name H )) (( segid " " and resid 85 and name HA )) 2.600 0.800 0.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 9.303 ppm2 4.672 CV 1 ASSI { 1201} (( segid " " and resid 86 and name H )) (( segid " " and resid 87 and name HD2 )) 5.400 3.600 0.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.28774E-03 ppm1 9.302 ppm2 3.644 CV 1 ASSI { 1202} (( segid " " and resid 86 and name H )) (( segid " " and resid 87 and name HD3 )) 5.300 3.500 0.700 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.30490E-03 ppm1 9.304 ppm2 3.518 CV 1 ASSI { 1206} (( segid " " and resid 84 and name H )) (( segid " " and resid 46 and name HA )) 4.400 2.400 1.600 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.33919E-03 ppm1 8.101 ppm2 4.471 CV 1 ASSI { 1207} (( segid " " and resid 86 and name H )) (( segid " " and resid 86 and name HD2 )) 4.800 2.900 1.200 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.29154E-03 ppm1 9.301 ppm2 2.982 CV 1 ASSI { 1208} (( segid " " and resid 86 and name H )) (( segid " " and resid 86 and name HD3 )) 3.500 1.500 1.500 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.39636E-03 ppm1 9.305 ppm2 2.896 CV 1 ASSI { 1212} (( segid " " and resid 85 and name H )) (( segid " " and resid 83 and name HE2 )) 5.200 3.300 0.800 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 7.127 ppm2 2.785 CV 1 OR { 1212} (( segid " " and resid 85 and name H )) (( segid " " and resid 83 and name HE3 )) ASSI { 1213} (( segid " " and resid 85 and name H )) (( segid " " and resid 103 and name HB3 )) 5.400 3.600 0.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.25535E-03 ppm1 7.130 ppm2 2.603 CV 1 ASSI { 1215} (( segid " " and resid 85 and name H )) (( segid " " and resid 46 and name HB2 )) 5.700 4.000 0.300 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.37349E-03 ppm1 7.134 ppm2 2.332 CV 1 ASSI { 1219} (( segid " " and resid 85 and name H )) (( segid " " and resid 85 and name HB2 )) 2.500 0.800 0.800 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.36778E-02 ppm1 7.129 ppm2 1.555 CV 1 ASSI { 1220} (( segid " " and resid 85 and name H )) (( segid " " and resid 83 and name HD2 )) 4.500 2.600 1.500 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.98138E-03 ppm1 7.129 ppm2 1.454 CV 1 ASSI { 1221} (( segid " " and resid 85 and name H )) (( segid " " and resid 83 and name HB2 )) 5.000 3.100 1.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 7.128 ppm2 1.337 CV 1 ASSI { 1223} (( segid " " and resid 85 and name H )) (( segid " " and resid 84 and name HD2 )) 4.700 2.700 1.300 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.44399E-03 ppm1 7.130 ppm2 1.048 CV 1 OR { 1223} (( segid " " and resid 85 and name H )) (( segid " " and resid 84 and name HD3 )) ASSI { 1227} (( segid " " and resid 84 and name H )) (( segid " " and resid 83 and name HD2 )) 5.400 3.700 0.600 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.40398E-03 ppm1 8.103 ppm2 1.453 CV 1 ASSI { 1228} (( segid " " and resid 84 and name H )) (( segid " " and resid 83 and name HB2 )) 4.800 2.900 1.200 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 8.104 ppm2 1.340 CV 1 ASSI { 1238} (( segid " " and resid 83 and name H )) (( segid " " and resid 84 and name H )) 4.800 2.900 1.200 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 8.423 ppm2 8.099 CV 1 ASSI { 1239} (( segid " " and resid 83 and name H )) (( segid " " and resid 82 and name H )) 4.700 2.700 1.300 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.42494E-03 ppm1 8.420 ppm2 8.684 CV 1 ASSI { 1240} (( segid " " and resid 82 and name H )) (( segid " " and resid 50 and name H )) 4.000 2.000 2.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 8.677 ppm2 9.125 CV 1 ASSI { 1243} (( segid " " and resid 82 and name H )) ( segid " " and resid 47 and name HD% ) 3.900 1.900 1.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.43828E-03 ppm1 8.683 ppm2 6.705 CV 1 ASSI { 1244} (( segid " " and resid 82 and name H )) (( segid " " and resid 61 and name HZ3 )) 4.000 2.000 2.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.44781E-03 ppm1 8.677 ppm2 6.631 CV 1 ASSI { 1245} (( segid " " and resid 82 and name H )) (( segid " " and resid 61 and name HH2 )) 5.300 3.600 0.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.30299E-03 ppm1 8.676 ppm2 6.493 CV 1 ASSI { 1246} (( segid " " and resid 82 and name H )) ( segid " " and resid 81 and name HE% ) 3.100 3.100 2.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.27249E-03 ppm1 8.682 ppm2 6.306 CV 1 ASSI { 1247} (( segid " " and resid 83 and name H )) (( segid " " and resid 61 and name HH2 )) 5.100 3.200 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.29536E-03 ppm1 8.423 ppm2 6.496 CV 1 ASSI { 1248} (( segid " " and resid 84 and name H )) (( segid " " and resid 61 and name HH2 )) 4.400 2.500 1.600 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.26487E-03 ppm1 8.105 ppm2 6.494 CV 1 ASSI { 1249} (( segid " " and resid 82 and name H )) (( segid " " and resid 81 and name HA )) 2.600 0.800 0.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.26448E-02 ppm1 8.681 ppm2 5.405 CV 1 ASSI { 1250} (( segid " " and resid 83 and name H )) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.12500E-02 ppm1 8.423 ppm2 4.720 CV 1 ASSI { 1251} (( segid " " and resid 83 and name H )) (( segid " " and resid 83 and name HA )) 3.100 1.200 1.200 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.10366E-02 ppm1 8.423 ppm2 3.529 CV 1 ASSI { 1253} (( segid " " and resid 83 and name H )) (( segid " " and resid 82 and name HB2 )) 2.500 0.800 0.800 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.23057E-02 ppm1 8.423 ppm2 1.455 CV 1 ASSI { 1255} (( segid " " and resid 82 and name H )) (( segid " " and resid 82 and name HG2 )) 3.100 1.200 1.200 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.10881E-02 ppm1 8.680 ppm2 1.457 CV 1 OR { 1255} (( segid " " and resid 82 and name H )) (( segid " " and resid 82 and name HB2 )) ASSI { 1256} (( segid " " and resid 82 and name H )) (( segid " " and resid 82 and name HB3 )) 3.900 1.900 1.900 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.72031E-03 ppm1 8.681 ppm2 1.691 CV 1 ASSI { 1258} (( segid " " and resid 82 and name H )) (( segid " " and resid 50 and name HB3 )) 4.700 2.800 1.300 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.32775E-03 ppm1 8.685 ppm2 2.154 CV 1 ASSI { 1259} (( segid " " and resid 82 and name H )) (( segid " " and resid 80 and name HG2 )) 4.400 2.400 1.600 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.32012E-03 ppm1 8.680 ppm2 2.002 CV 1 ASSI { 1262} (( segid " " and resid 104 and name H )) (( segid " " and resid 84 and name HB3 )) 3.000 1.100 1.100 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 8.424 ppm2 0.915 CV 1 ASSI { 1264} (( segid " " and resid 81 and name H )) (( segid " " and resid 82 and name H )) 4.700 2.800 1.300 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.40398E-03 ppm1 8.547 ppm2 8.680 CV 1 ASSI { 1265} (( segid " " and resid 81 and name H )) (( segid " " and resid 80 and name H )) 4.900 3.000 1.100 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.39445E-03 ppm1 8.547 ppm2 9.167 CV 1 ASSI { 1267} (( segid " " and resid 80 and name H )) (( segid " " and resid 52 and name H )) 4.100 2.100 1.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.30108E-03 ppm1 9.178 ppm2 8.153 CV 1 ASSI { 1268} (( segid " " and resid 81 and name H )) ( segid " " and resid 81 and name HD% ) 4.600 2.700 1.400 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.73744E-03 ppm1 8.549 ppm2 6.812 CV 1 ASSI { 1269} (( segid " " and resid 80 and name H )) ( segid " " and resid 50 and name HD% ) 4.300 2.300 1.700 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.52594E-03 ppm1 9.178 ppm2 5.499 CV 1 ASSI { 1271} (( segid " " and resid 80 and name H )) (( segid " " and resid 80 and name HA )) 3.300 1.300 1.300 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.93181E-03 ppm1 9.178 ppm2 5.173 CV 1 ASSI { 1272} (( segid " " and resid 80 and name H )) (( segid " " and resid 79 and name HA )) 2.300 0.600 0.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.40742E-02 ppm1 9.176 ppm2 4.893 CV 1 ASSI { 1273} (( segid " " and resid 80 and name H )) (( segid " " and resid 51 and name HA )) 3.600 1.600 1.600 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.57548E-03 ppm1 9.176 ppm2 4.425 CV 1 ASSI { 1274} (( segid " " and resid 81 and name H )) (( segid " " and resid 81 and name HA )) 3.400 1.400 1.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.84797E-03 ppm1 8.549 ppm2 5.405 CV 1 ASSI { 1275} (( segid " " and resid 81 and name H )) (( segid " " and resid 80 and name HA )) 2.600 0.800 0.800 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.25668E-02 ppm1 8.550 ppm2 5.173 CV 1 ASSI { 1276} (( segid " " and resid 81 and name H )) (( segid " " and resid 8 and name HA )) 4.300 2.300 1.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.43257E-03 ppm1 8.551 ppm2 4.910 CV 1 ASSI { 1280} (( segid " " and resid 81 and name H )) (( segid " " and resid 81 and name HB3 )) 3.100 1.200 1.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 8.548 ppm2 3.104 CV 1 ASSI { 1281} (( segid " " and resid 81 and name H )) (( segid " " and resid 81 and name HB2 )) 3.100 1.200 1.200 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 8.551 ppm2 2.426 CV 1 ASSI { 1283} (( segid " " and resid 80 and name H )) (( segid " " and resid 9 and name HB2 )) 5.400 3.700 0.600 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.21914E-03 ppm1 9.177 ppm2 3.573 CV 1 ASSI { 1285} (( segid " " and resid 80 and name H )) (( segid " " and resid 79 and name HG2 )) 3.800 1.800 1.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.10614E-02 ppm1 9.176 ppm2 2.152 CV 1 OR { 1285} (( segid " " and resid 80 and name H )) (( segid " " and resid 79 and name HG3 )) ASSI { 1287} (( segid " " and resid 80 and name H )) (( segid " " and resid 79 and name HB3 )) 3.900 1.900 1.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.91847E-03 ppm1 9.175 ppm2 1.817 CV 1 ASSI { 1288} (( segid " " and resid 80 and name H )) (( segid " " and resid 79 and name HB2 )) 4.300 2.300 1.700 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.12158E-02 ppm1 9.177 ppm2 1.708 CV 1 ASSI { 1289} (( segid " " and resid 80 and name H )) ( segid " " and resid 79 and name HE% ) 4.900 3.000 1.100 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.59073E-03 ppm1 9.181 ppm2 1.476 CV 1 ASSI { 1290} (( segid " " and resid 80 and name H )) (( segid " " and resid 49 and name HB3 )) 4.100 2.100 1.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.56023E-03 ppm1 9.176 ppm2 1.288 CV 1 ASSI { 1291} (( segid " " and resid 81 and name H )) (( segid " " and resid 10 and name HG12)) 3.500 1.600 1.600 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.52023E-03 ppm1 8.551 ppm2 1.186 CV 1 ASSI { 1293} (( segid " " and resid 81 and name H )) (( segid " " and resid 82 and name HG2 )) 4.300 2.300 1.700 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.32775E-03 ppm1 8.550 ppm2 1.454 CV 1 ASSI { 1294} (( segid " " and resid 81 and name H )) (( segid " " and resid 80 and name HG2 )) 3.400 1.400 1.400 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.13892E-02 ppm1 8.550 ppm2 1.991 CV 1 OR { 1294} (( segid " " and resid 81 and name H )) (( segid " " and resid 80 and name HB3 )) ASSI { 1295} (( segid " " and resid 81 and name H )) (( segid " " and resid 79 and name HB3 )) 2.900 2.900 3.100 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.41541E-03 ppm1 8.543 ppm2 1.816 CV 1 ASSI { 1296} (( segid " " and resid 81 and name H )) (( segid " " and resid 82 and name HB3 )) 4.200 2.300 1.800 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.32395E-03 ppm1 8.549 ppm2 1.702 CV 1 ASSI { 1297} (( segid " " and resid 81 and name H )) (( segid " " and resid 50 and name HB3 )) 5.200 3.300 0.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.21914E-03 ppm1 8.555 ppm2 2.145 CV 1 ASSI { 1301} (( segid " " and resid 80 and name H )) ( segid " " and resid 49 and name HD2%) 4.700 2.800 1.300 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.56023E-03 ppm1 9.176 ppm2 0.870 CV 1 ASSI { 1302} (( segid " " and resid 80 and name H )) ( segid " " and resid 8 and name HG2%) 4.000 2.000 2.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.10309E-02 ppm1 9.176 ppm2 0.738 CV 1 ASSI { 1303} (( segid " " and resid 80 and name H )) ( segid " " and resid 62 and name HD1%) 3.100 3.100 2.900 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.27058E-03 ppm1 9.175 ppm2 0.410 CV 1 ASSI { 1304} (( segid " " and resid 81 and name H )) ( segid " " and resid 32 and name HD1%) 5.600 3.900 0.400 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.23438E-03 ppm1 8.552 ppm2 0.114 CV 1 ASSI { 1305} (( segid " " and resid 79 and name H )) (( segid " " and resid 9 and name H )) 3.900 1.900 1.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.49736E-03 ppm1 9.057 ppm2 8.854 CV 1 ASSI { 1307} (( segid " " and resid 79 and name H )) (( segid " " and resid 78 and name H )) 5.000 3.100 1.000 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 9.054 ppm2 8.155 CV 1 ASSI { 1308} (( segid " " and resid 79 and name H )) (( segid " " and resid 80 and name H )) 4.500 2.500 1.500 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.38682E-03 ppm1 9.050 ppm2 9.183 CV 1 ASSI { 1310} (( segid " " and resid 79 and name H )) (( segid " " and resid 78 and name HA )) 2.500 0.800 0.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.33976E-02 ppm1 9.052 ppm2 5.324 CV 1 ASSI { 1312} (( segid " " and resid 78 and name H )) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.11738E-02 ppm1 8.160 ppm2 5.325 CV 1 ASSI { 1315} (( segid " " and resid 78 and name H )) (( segid " " and resid 78 and name HB )) 2.700 0.900 0.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.29611E-02 ppm1 8.161 ppm2 3.859 CV 1 ASSI { 1316} (( segid " " and resid 78 and name H )) (( segid " " and resid 77 and name HB2 )) 3.900 1.900 1.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.15988E-02 ppm1 8.160 ppm2 2.810 CV 1 ASSI { 1317} (( segid " " and resid 78 and name H )) (( segid " " and resid 77 and name HB3 )) 2.900 1.100 1.100 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.20713E-02 ppm1 8.160 ppm2 2.473 CV 1 ASSI { 1320} (( segid " " and resid 78 and name H )) (( segid " " and resid 7 and name HB2 )) 5.100 3.300 0.900 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.31824E-03 ppm1 8.160 ppm2 1.830 CV 1 ASSI { 1325} (( segid " " and resid 78 and name H )) ( segid " " and resid 6 and name HD2%) 2.700 2.700 3.300 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.71077E-03 ppm1 8.159 ppm2 0.877 CV 1 ASSI { 1326} (( segid " " and resid 78 and name H )) ( segid " " and resid 51 and name HD1%) 2.600 2.600 3.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.86513E-03 ppm1 8.160 ppm2 0.791 CV 1 ASSI { 1327} (( segid " " and resid 78 and name H )) ( segid " " and resid 51 and name HD2%) 3.800 1.800 1.800 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.55261E-03 ppm1 8.160 ppm2 0.733 CV 1 ASSI { 1329} (( segid " " and resid 79 and name H )) ( segid " " and resid 6 and name HD2%) 2.900 2.900 3.100 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.42494E-03 ppm1 9.053 ppm2 0.879 CV 1 ASSI { 1330} (( segid " " and resid 79 and name H )) ( segid " " and resid 8 and name HD1%) 3.300 1.300 1.300 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.14997E-02 ppm1 9.052 ppm2 0.721 CV 1 ASSI { 1331} (( segid " " and resid 77 and name H )) (( segid " " and resid 76 and name H )) 2.700 0.900 0.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.22581E-02 ppm1 8.071 ppm2 9.294 CV 1 ASSI { 1332} (( segid " " and resid 77 and name H )) (( segid " " and resid 74 and name H )) 3.500 1.500 1.500 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.66314E-03 ppm1 8.074 ppm2 8.910 CV 1 ASSI { 1333} (( segid " " and resid 76 and name H )) (( segid " " and resid 5 and name H )) 4.500 2.500 1.500 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.63073E-03 ppm1 9.294 ppm2 8.663 CV 1 ASSI { 1336} (( segid " " and resid 76 and name H )) (( segid " " and resid 75 and name HD21)) 5.000 3.100 1.000 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 9.292 ppm2 7.539 CV 1 ASSI { 1339} (( segid " " and resid 76 and name H )) (( segid " " and resid 77 and name HA )) 5.300 3.500 0.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 9.290 ppm2 4.588 CV 1 ASSI { 1340} (( segid " " and resid 76 and name H )) (( segid " " and resid 6 and name HA )) 3.500 1.500 1.500 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.65552E-03 ppm1 9.296 ppm2 4.971 CV 1 ASSI { 1341} (( segid " " and resid 77 and name H )) (( segid " " and resid 6 and name HA )) 3.700 1.700 1.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.77365E-03 ppm1 8.070 ppm2 4.975 CV 1 ASSI { 1342} (( segid " " and resid 77 and name H )) (( segid " " and resid 75 and name HA )) 4.700 2.700 1.300 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.77176E-03 ppm1 8.071 ppm2 4.721 CV 1 ASSI { 1344} (( segid " " and resid 77 and name H )) (( segid " " and resid 76 and name HA3 )) 3.300 1.300 1.300 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 8.070 ppm2 4.258 CV 1 ASSI { 1345} (( segid " " and resid 76 and name H )) (( segid " " and resid 74 and name HA )) 4.600 2.700 1.400 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.27820E-03 ppm1 9.287 ppm2 4.451 CV 1 ASSI { 1346} (( segid " " and resid 76 and name H )) (( segid " " and resid 76 and name HA2 )) 3.000 1.100 1.100 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.23610E-02 ppm1 9.295 ppm2 3.515 CV 1 ASSI { 1347} (( segid " " and resid 77 and name H )) (( segid " " and resid 76 and name HA2 )) 3.800 1.800 1.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 8.072 ppm2 3.512 CV 1 ASSI { 1348} (( segid " " and resid 77 and name H )) (( segid " " and resid 77 and name HB2 )) 2.400 0.700 0.700 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.33938E-02 ppm1 8.071 ppm2 2.805 CV 1 ASSI { 1349} (( segid " " and resid 76 and name H )) (( segid " " and resid 77 and name HB2 )) 4.900 3.000 1.100 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.57928E-03 ppm1 9.295 ppm2 2.798 CV 1 ASSI { 1352} (( segid " " and resid 77 and name H )) (( segid " " and resid 77 and name HB3 )) 3.300 1.400 1.400 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.31767E-02 ppm1 8.071 ppm2 2.472 CV 1 ASSI { 1353} (( segid " " and resid 76 and name H )) (( segid " " and resid 77 and name HB3 )) 6.000 4.600 0.000 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.32203E-03 ppm1 9.292 ppm2 2.473 CV 1 ASSI { 1355} (( segid " " and resid 76 and name H )) ( segid " " and resid 6 and name HD1%) 4.500 2.500 1.500 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.75460E-03 ppm1 9.293 ppm2 0.704 CV 1 ASSI { 1356} (( segid " " and resid 77 and name H )) (( segid " " and resid 73 and name HB2 )) 4.900 2.900 1.100 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.51449E-03 ppm1 8.074 ppm2 1.479 CV 1 ASSI { 1359} (( segid " " and resid 75 and name H )) (( segid " " and resid 76 and name H )) 3.800 1.800 1.800 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.90134E-03 ppm1 8.364 ppm2 9.294 CV 1 ASSI { 1360} (( segid " " and resid 75 and name H )) (( segid " " and resid 74 and name H )) 3.600 1.600 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 8.363 ppm2 8.913 CV 1 ASSI { 1361} (( segid " " and resid 75 and name H )) (( segid " " and resid 5 and name H )) 4.800 2.900 1.200 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 8.365 ppm2 8.655 CV 1 ASSI { 1364} (( segid " " and resid 75 and name H )) (( segid " " and resid 77 and name H )) 4.400 2.500 1.600 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.43637E-03 ppm1 8.369 ppm2 8.074 CV 1 ASSI { 1365} (( segid " " and resid 75 and name H )) (( segid " " and resid 75 and name HD21)) 2.400 0.700 0.700 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 8.363 ppm2 7.534 CV 1 ASSI { 1366} (( segid " " and resid 75 and name H )) (( segid " " and resid 75 and name HD22)) 4.100 2.100 1.900 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.11110E-02 ppm1 8.364 ppm2 7.084 CV 1 ASSI { 1370} (( segid " " and resid 74 and name H )) (( segid " " and resid 73 and name HA )) 2.300 0.600 0.600 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.49697E-02 ppm1 8.911 ppm2 4.212 CV 1 ASSI { 1373} (( segid " " and resid 75 and name H )) (( segid " " and resid 73 and name HA )) 5.200 3.400 0.800 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.46686E-03 ppm1 8.364 ppm2 4.218 CV 1 ASSI { 1374} (( segid " " and resid 75 and name H )) (( segid " " and resid 5 and name HB2 )) 5.300 3.500 0.700 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 8.367 ppm2 3.538 CV 1 ASSI { 1379} (( segid " " and resid 74 and name H )) (( segid " " and resid 77 and name HB2 )) 3.300 1.400 1.400 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 8.914 ppm2 2.816 CV 1 ASSI { 1380} (( segid " " and resid 74 and name H )) (( segid " " and resid 77 and name HB3 )) 4.700 2.800 1.300 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.64218E-03 ppm1 8.911 ppm2 2.470 CV 1 ASSI { 1381} (( segid " " and resid 75 and name H )) (( segid " " and resid 75 and name HB3 )) 3.400 1.500 1.500 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.36910E-02 ppm1 8.363 ppm2 2.686 CV 1 ASSI { 1383} (( segid " " and resid 75 and name H )) (( segid " " and resid 74 and name HB2 )) 2.000 0.500 0.500 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.33881E-02 ppm1 8.364 ppm2 1.723 CV 1 ASSI { 1384} (( segid " " and resid 75 and name H )) (( segid " " and resid 74 and name HB3 )) 2.900 1.100 1.100 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.45086E-02 ppm1 8.363 ppm2 1.618 CV 1 ASSI { 1385} (( segid " " and resid 74 and name H )) (( segid " " and resid 74 and name HB2 )) 3.300 1.400 1.400 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 8.909 ppm2 1.721 CV 1 ASSI { 1387} (( segid " " and resid 74 and name H )) (( segid " " and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.13110E-02 ppm1 8.909 ppm2 1.485 CV 1 ASSI { 1388} (( segid " " and resid 74 and name H )) (( segid " " and resid 73 and name HB3 )) 3.900 1.900 1.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.14330E-02 ppm1 8.910 ppm2 1.321 CV 1 ASSI { 1389} (( segid " " and resid 75 and name H )) ( segid " " and resid 6 and name HD2%) 4.500 2.600 1.500 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.49164E-03 ppm1 8.361 ppm2 0.874 CV 1 ASSI { 1393} (( segid " " and resid 73 and name H )) ( segid " " and resid 71 and name HD% ) 5.300 3.500 0.700 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.54690E-03 ppm1 6.775 ppm2 7.236 CV 1 ASSI { 1394} (( segid " " and resid 73 and name H )) (( segid " " and resid 72 and name H )) 2.700 0.900 0.900 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.17779E-02 ppm1 6.774 ppm2 7.827 CV 1 ASSI { 1395} (( segid " " and resid 73 and name H )) (( segid " " and resid 71 and name H )) 4.300 2.300 1.700 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.56406E-03 ppm1 6.771 ppm2 7.565 CV 1 ASSI { 1396} (( segid " " and resid 73 and name H )) (( segid " " and resid 74 and name H )) 4.300 2.300 1.700 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.80606E-03 ppm1 6.773 ppm2 8.911 CV 1 ASSI { 1397} (( segid " " and resid 72 and name H )) (( segid " " and resid 71 and name H )) 4.800 2.800 1.200 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.11853E-02 ppm1 7.826 ppm2 7.556 CV 1 ASSI { 1398} (( segid " " and resid 72 and name H )) ( segid " " and resid 71 and name HD% ) 3.800 1.800 1.800 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.76794E-03 ppm1 7.825 ppm2 7.237 CV 1 ASSI { 1402} (( segid " " and resid 73 and name H )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.35196E-02 ppm1 6.774 ppm2 4.078 CV 1 ASSI { 1403} (( segid " " and resid 72 and name H )) (( segid " " and resid 69 and name HA )) 4.400 2.400 1.600 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.90705E-03 ppm1 7.825 ppm2 4.375 CV 1 ASSI { 1407} (( segid " " and resid 73 and name H )) (( segid " " and resid 69 and name HB2 )) 4.700 2.800 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 6.772 ppm2 2.786 CV 1 ASSI { 1408} (( segid " " and resid 73 and name H )) (( segid " " and resid 71 and name HB2 )) 4.200 2.200 1.800 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 6.774 ppm2 2.682 CV 1 ASSI { 1409} (( segid " " and resid 72 and name H )) (( segid " " and resid 71 and name HB3 )) 2.300 2.300 3.700 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 7.827 ppm2 3.156 CV 1 ASSI { 1410} (( segid " " and resid 72 and name H )) (( segid " " and resid 71 and name HB2 )) 4.500 2.600 1.500 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.48020E-03 ppm1 7.825 ppm2 2.677 CV 1 ASSI { 1411} (( segid " " and resid 73 and name H )) (( segid " " and resid 73 and name HG )) 2.200 0.600 0.600 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.42476E-02 ppm1 6.774 ppm2 1.514 CV 1 ASSI { 1412} (( segid " " and resid 73 and name H )) (( segid " " and resid 73 and name HB3 )) 3.200 1.300 1.300 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.19570E-02 ppm1 6.774 ppm2 1.322 CV 1 ASSI { 1414} (( segid " " and resid 73 and name H )) (( segid " " and resid 72 and name HB2 )) 3.900 1.900 1.900 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.74318E-03 ppm1 6.774 ppm2 2.066 CV 1 ASSI { 1415} (( segid " " and resid 73 and name H )) ( segid " " and resid 72 and name HE% ) 2.900 2.900 3.100 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 6.771 ppm2 1.947 CV 1 ASSI { 1417} (( segid " " and resid 72 and name H )) (( segid " " and resid 72 and name HG2 )) 3.400 1.400 1.400 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.13568E-02 ppm1 7.825 ppm2 2.283 CV 1 ASSI { 1418} (( segid " " and resid 72 and name H )) (( segid " " and resid 72 and name HB2 )) 2.800 1.000 1.000 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.12195E-02 ppm1 7.825 ppm2 2.076 CV 1 ASSI { 1419} (( segid " " and resid 72 and name H )) (( segid " " and resid 72 and name HB3 )) 3.800 1.800 1.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.11815E-02 ppm1 7.824 ppm2 2.028 CV 1 ASSI { 1420} (( segid " " and resid 73 and name H )) (( segid " " and resid 72 and name HB3 )) 4.300 2.300 1.700 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.70126E-03 ppm1 6.773 ppm2 2.026 CV 1 ASSI { 1421} (( segid " " and resid 72 and name H )) (( segid " " and resid 73 and name HG )) 4.500 2.500 1.500 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 7.827 ppm2 1.514 CV 1 ASSI { 1424} (( segid " " and resid 71 and name H )) ( segid " " and resid 71 and name HD% ) 3.100 1.200 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.31994E-02 ppm1 7.556 ppm2 7.233 CV 1 ASSI { 1428} (( segid " " and resid 71 and name H )) (( segid " " and resid 69 and name H )) 4.300 2.300 1.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 7.554 ppm2 8.085 CV 1 ASSI { 1430} (( segid " " and resid 71 and name H )) ( segid " " and resid 70 and name HE% ) 5.000 3.100 1.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 7.552 ppm2 6.543 CV 1 ASSI { 1431} (( segid " " and resid 70 and name H )) ( segid " " and resid 70 and name HE% ) 5.800 4.200 0.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.54499E-03 ppm1 7.904 ppm2 6.544 CV 1 ASSI { 1432} (( segid " " and resid 70 and name H )) (( segid " " and resid 71 and name H )) 2.800 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.20104E-02 ppm1 7.901 ppm2 7.556 CV 1 ASSI { 1433} (( segid " " and resid 70 and name H )) ( segid " " and resid 71 and name HD% ) 4.300 2.300 1.700 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 7.905 ppm2 7.234 CV 1 ASSI { 1436} (( segid " " and resid 70 and name H )) (( segid " " and resid 67 and name HA )) 4.900 3.000 1.100 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.34491E-03 ppm1 7.907 ppm2 4.850 CV 1 ASSI { 1437} (( segid " " and resid 70 and name H )) (( segid " " and resid 69 and name HA )) 3.400 1.400 1.400 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.12481E-02 ppm1 7.903 ppm2 4.378 CV 1 ASSI { 1439} (( segid " " and resid 71 and name H )) (( segid " " and resid 72 and name HA )) 4.400 2.400 1.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.94326E-03 ppm1 7.558 ppm2 4.080 CV 1 ASSI { 1440} (( segid " " and resid 71 and name H )) (( segid " " and resid 71 and name HA )) 3.000 1.100 1.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.24048E-02 ppm1 7.557 ppm2 4.000 CV 1 ASSI { 1442} (( segid " " and resid 70 and name H )) (( segid " " and resid 21 and name HA )) 3.100 3.100 2.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.29345E-03 ppm1 7.902 ppm2 4.085 CV 1 ASSI { 1443} (( segid " " and resid 70 and name H )) (( segid " " and resid 70 and name HA )) 2.800 0.900 0.900 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.35845E-02 ppm1 7.902 ppm2 3.926 CV 1 ASSI { 1444} (( segid " " and resid 70 and name H )) (( segid " " and resid 70 and name HB3 )) 2.400 0.700 0.700 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.28373E-02 ppm1 7.902 ppm2 3.111 CV 1 ASSI { 1445} (( segid " " and resid 70 and name H )) (( segid " " and resid 70 and name HB2 )) 3.000 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.26906E-02 ppm1 7.902 ppm2 2.831 CV 1 ASSI { 1446} (( segid " " and resid 70 and name H )) (( segid " " and resid 71 and name HB2 )) 4.700 2.800 1.300 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.50689E-03 ppm1 7.901 ppm2 2.685 CV 1 ASSI { 1447} (( segid " " and resid 70 and name H )) (( segid " " and resid 69 and name HB3 )) 3.600 1.600 1.600 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.51260E-03 ppm1 7.904 ppm2 2.439 CV 1 ASSI { 1448} (( segid " " and resid 71 and name H )) (( segid " " and resid 71 and name HB3 )) 3.700 1.700 1.700 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.19151E-02 ppm1 7.558 ppm2 3.149 CV 1 ASSI { 1449} (( segid " " and resid 71 and name H )) (( segid " " and resid 70 and name HB2 )) 4.200 2.200 1.800 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 7.555 ppm2 2.836 CV 1 ASSI { 1450} (( segid " " and resid 71 and name H )) (( segid " " and resid 71 and name HB2 )) 2.500 0.800 0.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.18103E-02 ppm1 7.558 ppm2 2.681 CV 1 ASSI { 1451} (( segid " " and resid 71 and name H )) (( segid " " and resid 69 and name HB3 )) 3.000 3.000 3.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.33348E-03 ppm1 7.559 ppm2 2.434 CV 1 ASSI { 1452} (( segid " " and resid 70 and name H )) (( segid " " and resid 73 and name HG )) 4.400 2.400 1.600 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 7.900 ppm2 1.522 CV 1 ASSI { 1454} (( segid " " and resid 71 and name H )) (( segid " " and resid 73 and name HG )) 3.700 1.700 1.700 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.93563E-03 ppm1 7.557 ppm2 1.524 CV 1 ASSI { 1457} (( segid " " and resid 70 and name H )) (( segid " " and resid 66 and name HG2 )) 4.700 2.700 1.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.47640E-03 ppm1 7.901 ppm2 0.988 CV 1 ASSI { 1458} (( segid " " and resid 70 and name H )) ( segid " " and resid 73 and name HD1%) 5.000 3.100 1.000 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.46877E-03 ppm1 7.901 ppm2 0.829 CV 1 OR { 1458} (( segid " " and resid 70 and name H )) ( segid " " and resid 73 and name HD2%) ASSI { 1460} (( segid " " and resid 69 and name H )) (( segid " " and resid 68 and name H )) 2.900 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.16254E-02 ppm1 8.079 ppm2 8.354 CV 1 ASSI { 1461} (( segid " " and resid 69 and name H )) (( segid " " and resid 70 and name H )) 2.700 0.900 0.900 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.20161E-02 ppm1 8.079 ppm2 7.900 CV 1 ASSI { 1463} (( segid " " and resid 69 and name H )) ( segid " " and resid 71 and name HD% ) 4.900 3.000 1.100 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.43828E-03 ppm1 8.078 ppm2 7.231 CV 1 ASSI { 1465} (( segid " " and resid 69 and name H )) ( segid " " and resid 70 and name HD% ) 5.700 4.000 0.300 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.39636E-03 ppm1 8.078 ppm2 6.071 CV 1 ASSI { 1466} (( segid " " and resid 69 and name H )) (( segid " " and resid 73 and name H )) 5.200 3.300 0.800 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 8.077 ppm2 6.782 CV 1 ASSI { 1467} (( segid " " and resid 69 and name H )) (( segid " " and resid 67 and name HA )) 4.200 2.200 1.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.78510E-03 ppm1 8.079 ppm2 4.853 CV 1 ASSI { 1469} (( segid " " and resid 69 and name H )) (( segid " " and resid 21 and name HA )) 3.600 1.600 1.600 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 8.079 ppm2 4.098 CV 1 ASSI { 1470} (( segid " " and resid 69 and name H )) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 8.078 ppm2 3.921 CV 1 ASSI { 1471} (( segid " " and resid 68 and name H )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.18370E-02 ppm1 8.350 ppm2 3.916 CV 1 ASSI { 1474} (( segid " " and resid 31 and name H )) (( segid " " and resid 27 and name HA )) 4.400 2.500 1.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.62693E-03 ppm1 8.331 ppm2 4.624 CV 1 ASSI { 1475} (( segid " " and resid 68 and name H )) (( segid " " and resid 67 and name HA )) 2.400 0.700 0.700 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.20637E-02 ppm1 8.352 ppm2 4.854 CV 1 ASSI { 1476} (( segid " " and resid 68 and name H )) (( segid " " and resid 24 and name HA )) 3.700 1.800 1.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.45544E-03 ppm1 8.356 ppm2 4.721 CV 1 ASSI { 1477} (( segid " " and resid 69 and name H )) (( segid " " and resid 70 and name HB3 )) 4.700 2.700 1.300 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.56977E-03 ppm1 8.081 ppm2 3.113 CV 1 ASSI { 1478} (( segid " " and resid 69 and name H )) (( segid " " and resid 69 and name HB2 )) 2.700 0.900 0.900 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.32128E-02 ppm1 8.079 ppm2 2.776 CV 1 ASSI { 1479} (( segid " " and resid 69 and name H )) (( segid " " and resid 69 and name HB3 )) 2.600 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.32909E-02 ppm1 8.078 ppm2 2.439 CV 1 ASSI { 1480} (( segid " " and resid 69 and name H )) (( segid " " and resid 21 and name HB3 )) 4.600 2.600 1.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.97946E-03 ppm1 8.078 ppm2 2.344 CV 1 ASSI { 1481} (( segid " " and resid 69 and name H )) (( segid " " and resid 21 and name HB2 )) 4.400 2.400 1.600 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 8.077 ppm2 2.097 CV 1 ASSI { 1482} (( segid " " and resid 69 and name H )) (( segid " " and resid 68 and name HB2 )) 2.500 0.800 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.20008E-02 ppm1 8.078 ppm2 1.944 CV 1 ASSI { 1483} (( segid " " and resid 69 and name H )) (( segid " " and resid 68 and name HG )) 4.400 2.400 1.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.97564E-03 ppm1 8.078 ppm2 1.653 CV 1 ASSI { 1484} (( segid " " and resid 69 and name H )) ( segid " " and resid 67 and name HB% ) 2.900 1.100 1.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.39465E-02 ppm1 8.078 ppm2 1.389 CV 1 ASSI { 1488} (( segid " " and resid 31 and name H )) (( segid " " and resid 30 and name HB2 )) 3.900 1.900 1.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.11948E-02 ppm1 8.330 ppm2 2.094 CV 1 ASSI { 1489} (( segid " " and resid 31 and name H )) (( segid " " and resid 31 and name HB2 )) 2.700 0.900 0.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 8.331 ppm2 1.979 CV 1 ASSI { 1490} (( segid " " and resid 31 and name H )) (( segid " " and resid 30 and name HB3 )) 3.900 1.900 1.900 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 8.328 ppm2 1.866 CV 1 ASSI { 1491} (( segid " " and resid 69 and name H )) (( segid " " and resid 68 and name HB3 )) 3.600 1.600 1.600 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.14101E-02 ppm1 8.079 ppm2 1.089 CV 1 ASSI { 1492} (( segid " " and resid 69 and name H )) ( segid " " and resid 73 and name HD2%) 4.800 2.900 1.200 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.61931E-03 ppm1 8.080 ppm2 0.817 CV 1 ASSI { 1495} (( segid " " and resid 68 and name H )) (( segid " " and resid 66 and name HG2 )) 3.700 1.700 1.700 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.82322E-03 ppm1 8.351 ppm2 0.980 CV 1 ASSI { 1496} (( segid " " and resid 68 and name H )) ( segid " " and resid 73 and name HD1%) 5.500 3.700 0.500 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.46495E-03 ppm1 8.354 ppm2 0.827 CV 1 ASSI { 1497} (( segid " " and resid 31 and name H )) ( segid " " and resid 32 and name HG2%) 4.200 2.200 1.800 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.64598E-03 ppm1 8.341 ppm2 0.718 CV 1 ASSI { 1498} (( segid " " and resid 68 and name H )) ( segid " " and resid 68 and name HD2%) 3.700 1.700 1.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.21628E-02 ppm1 8.351 ppm2 0.309 CV 1 OR { 1498} (( segid " " and resid 68 and name H )) ( segid " " and resid 68 and name HD1%) ASSI { 1499} (( segid " " and resid 69 and name H )) ( segid " " and resid 68 and name HD1%) 4.300 2.300 1.700 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.17055E-02 ppm1 8.078 ppm2 0.312 CV 1 OR { 1499} (( segid " " and resid 69 and name H )) ( segid " " and resid 68 and name HD2%) ASSI { 1500} (( segid " " and resid 70 and name H )) ( segid " " and resid 68 and name HD2%) 5.500 3.800 0.500 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.31441E-03 ppm1 7.901 ppm2 0.302 CV 1 ASSI { 1501} (( segid " " and resid 67 and name H )) (( segid " " and resid 66 and name H )) 4.200 2.200 1.800 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.76414E-03 ppm1 8.136 ppm2 7.475 CV 1 ASSI { 1502} (( segid " " and resid 66 and name H )) (( segid " " and resid 25 and name H )) 3.700 1.700 1.700 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.82510E-03 ppm1 7.471 ppm2 9.465 CV 1 ASSI { 1503} (( segid " " and resid 66 and name H )) (( segid " " and resid 65 and name H )) 2.600 0.800 0.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.42569E-02 ppm1 7.470 ppm2 8.154 CV 1 ASSI { 1504} (( segid " " and resid 66 and name H )) (( segid " " and resid 26 and name H )) 3.000 3.000 3.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 7.469 ppm2 8.710 CV 1 ASSI { 1505} (( segid " " and resid 66 and name H )) (( segid " " and resid 64 and name H )) 4.200 2.200 1.800 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 7.470 ppm2 8.423 CV 1 ASSI { 1506} (( segid " " and resid 66 and name H )) ( segid " " and resid 71 and name HE% ) 6.000 4.700 0.000 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.63836E-03 ppm1 7.471 ppm2 6.857 CV 1 ASSI { 1507} (( segid " " and resid 66 and name H )) ( segid " " and resid 70 and name HD% ) 6.000 4.500 0.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 7.468 ppm2 6.062 CV 1 ASSI { 1508} (( segid " " and resid 67 and name H )) ( segid " " and resid 70 and name HD% ) 4.000 2.000 2.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.68219E-03 ppm1 8.133 ppm2 6.067 CV 1 ASSI { 1509} (( segid " " and resid 66 and name H )) (( segid " " and resid 67 and name HA )) 4.500 2.500 1.500 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.40590E-03 ppm1 7.466 ppm2 4.857 CV 1 ASSI { 1510} (( segid " " and resid 66 and name H )) (( segid " " and resid 66 and name HA )) 2.600 0.900 0.900 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.39388E-02 ppm1 7.470 ppm2 4.383 CV 1 ASSI { 1511} (( segid " " and resid 66 and name H )) (( segid " " and resid 63 and name HA )) 4.700 2.800 1.300 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.60598E-03 ppm1 7.470 ppm2 4.219 CV 1 ASSI { 1512} (( segid " " and resid 66 and name H )) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.11605E-02 ppm1 7.470 ppm2 3.914 CV 1 ASSI { 1513} (( segid " " and resid 66 and name H )) (( segid " " and resid 65 and name HA2 )) 3.100 1.200 1.200 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.19951E-02 ppm1 7.470 ppm2 3.578 CV 1 ASSI { 1514} (( segid " " and resid 66 and name H )) (( segid " " and resid 24 and name HG3 )) 3.300 1.400 1.400 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 7.471 ppm2 2.747 CV 1 ASSI { 1515} (( segid " " and resid 66 and name H )) (( segid " " and resid 24 and name HG2 )) 3.800 1.800 1.800 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.34299E-03 ppm1 7.470 ppm2 2.608 CV 1 ASSI { 1519} (( segid " " and resid 66 and name H )) (( segid " " and resid 63 and name HB2 )) 4.300 2.300 1.700 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.11262E-02 ppm1 7.468 ppm2 1.922 CV 1 ASSI { 1520} (( segid " " and resid 66 and name H )) (( segid " " and resid 66 and name HB3 )) 2.700 0.900 0.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.29498E-02 ppm1 7.470 ppm2 1.528 CV 1 ASSI { 1521} (( segid " " and resid 66 and name H )) ( segid " " and resid 67 and name HB% ) 4.700 2.800 1.300 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.73935E-03 ppm1 7.468 ppm2 1.392 CV 1 ASSI { 1522} (( segid " " and resid 66 and name H )) (( segid " " and resid 24 and name HB2 )) 5.600 4.000 0.400 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 7.478 ppm2 1.711 CV 1 ASSI { 1523} (( segid " " and resid 66 and name H )) (( segid " " and resid 66 and name HG2 )) 3.100 1.200 1.200 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.41884E-02 ppm1 7.470 ppm2 0.994 CV 1 OR { 1523} (( segid " " and resid 66 and name H )) (( segid " " and resid 66 and name HG3 )) ASSI { 1524} (( segid " " and resid 66 and name H )) (( segid " " and resid 66 and name HD3 )) 2.900 1.000 1.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.10214E-02 ppm1 7.469 ppm2 0.869 CV 1 ASSI { 1525} (( segid " " and resid 66 and name H )) ( segid " " and resid 25 and name HG1%) 2.500 2.500 3.500 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.97184E-03 ppm1 7.469 ppm2 0.759 CV 1 ASSI { 1526} (( segid " " and resid 66 and name H )) (( segid " " and resid 66 and name HD2 )) 4.500 2.500 1.500 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.78701E-03 ppm1 7.470 ppm2 0.498 CV 1 ASSI { 1527} (( segid " " and resid 65 and name H )) (( segid " " and resid 26 and name H )) 3.000 3.000 3.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 8.160 ppm2 8.698 CV 1 ASSI { 1528} (( segid " " and resid 65 and name H )) (( segid " " and resid 64 and name H )) 2.900 1.000 1.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 8.158 ppm2 8.424 CV 1 ASSI { 1530} (( segid " " and resid 65 and name H )) ( segid " " and resid 26 and name HD% ) 2.800 2.800 3.200 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.55832E-03 ppm1 8.158 ppm2 7.071 CV 1 ASSI { 1532} (( segid " " and resid 65 and name H )) (( segid " " and resid 65 and name HA3 )) 2.300 0.700 0.700 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.52974E-02 ppm1 8.158 ppm2 4.352 CV 1 ASSI { 1533} (( segid " " and resid 65 and name H )) (( segid " " and resid 63 and name HA )) 4.200 2.200 1.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.12138E-02 ppm1 8.160 ppm2 4.215 CV 1 ASSI { 1534} (( segid " " and resid 65 and name H )) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 8.160 ppm2 3.914 CV 1 ASSI { 1535} (( segid " " and resid 65 and name H )) (( segid " " and resid 65 and name HA2 )) 2.800 1.000 1.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.55165E-02 ppm1 8.158 ppm2 3.578 CV 1 ASSI { 1539} (( segid " " and resid 65 and name H )) (( segid " " and resid 63 and name HB2 )) 3.300 1.400 1.400 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.75080E-03 ppm1 8.155 ppm2 1.924 CV 1 ASSI { 1541} (( segid " " and resid 65 and name H )) ( segid " " and resid 25 and name HG2%) 4.300 2.300 1.700 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.90514E-03 ppm1 8.159 ppm2 0.995 CV 1 ASSI { 1542} (( segid " " and resid 65 and name H )) ( segid " " and resid 25 and name HG1%) 2.800 2.800 3.200 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.50498E-03 ppm1 8.163 ppm2 0.756 CV 1 ASSI { 1543} (( segid " " and resid 62 and name H )) (( segid " " and resid 49 and name H )) 4.300 2.300 1.700 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.27632E-03 ppm1 8.785 ppm2 9.077 CV 1 ASSI { 1544} (( segid " " and resid 63 and name H )) (( segid " " and resid 62 and name H )) 4.700 2.700 1.300 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.28394E-03 ppm1 8.486 ppm2 8.797 CV 1 ASSI { 1545} (( segid " " and resid 63 and name H )) ( segid " " and resid 71 and name HD% ) 5.900 4.300 0.100 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.31061E-03 ppm1 8.490 ppm2 7.233 CV 1 ASSI { 1546} (( segid " " and resid 63 and name H )) ( segid " " and resid 71 and name HE% ) 4.600 2.600 1.400 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.52594E-03 ppm1 8.490 ppm2 6.853 CV 1 ASSI { 1553} (( segid " " and resid 63 and name H )) (( segid " " and resid 62 and name HB2 )) 4.300 2.300 1.700 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.62122E-03 ppm1 8.489 ppm2 1.177 CV 1 ASSI { 1554} (( segid " " and resid 63 and name H )) ( segid " " and resid 25 and name HG2%) 3.500 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.94897E-03 ppm1 8.488 ppm2 0.984 CV 1 ASSI { 1555} (( segid " " and resid 63 and name H )) (( segid " " and resid 66 and name HB3 )) 4.700 2.700 1.300 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 8.491 ppm2 1.519 CV 1 ASSI { 1556} (( segid " " and resid 63 and name H )) (( segid " " and resid 62 and name HB3 )) 4.000 2.000 2.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.57548E-03 ppm1 8.489 ppm2 1.438 CV 1 ASSI { 1557} (( segid " " and resid 63 and name H )) ( segid " " and resid 60 and name HD1%) 5.300 3.500 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.34491E-03 ppm1 8.488 ppm2 0.837 CV 1 ASSI { 1558} (( segid " " and resid 63 and name H )) ( segid " " and resid 25 and name HG1%) 4.300 2.300 1.700 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.56023E-03 ppm1 8.491 ppm2 0.759 CV 1 ASSI { 1559} (( segid " " and resid 63 and name H )) (( segid " " and resid 62 and name HG )) 5.300 3.500 0.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.40970E-03 ppm1 8.489 ppm2 0.669 CV 1 ASSI { 1560} (( segid " " and resid 63 and name H )) ( segid " " and resid 62 and name HD1%) 5.600 4.000 0.400 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.48782E-03 ppm1 8.489 ppm2 0.401 CV 1 ASSI { 1561} (( segid " " and resid 63 and name H )) ( segid " " and resid 62 and name HD2%) 4.700 2.800 1.300 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.79272E-03 ppm1 8.490 ppm2 -0.159 CV 1 ASSI { 1562} (( segid " " and resid 60 and name H )) (( segid " " and resid 51 and name H )) 3.000 1.100 1.100 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.15492E-02 ppm1 7.231 ppm2 8.441 CV 1 ASSI { 1563} (( segid " " and resid 60 and name H )) (( segid " " and resid 52 and name H )) 4.800 2.900 1.200 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.32775E-03 ppm1 7.232 ppm2 8.141 CV 1 ASSI { 1565} (( segid " " and resid 61 and name H )) (( segid " " and resid 61 and name HE3 )) 5.600 3.900 0.400 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 8.459 ppm2 7.522 CV 1 ASSI { 1567} (( segid " " and resid 61 and name H )) (( segid " " and resid 60 and name H )) 4.600 2.600 1.400 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.47448E-03 ppm1 8.457 ppm2 7.228 CV 1 ASSI { 1568} (( segid " " and resid 61 and name H )) ( segid " " and resid 50 and name HE% ) 4.600 2.600 1.400 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 8.462 ppm2 6.506 CV 1 ASSI { 1569} (( segid " " and resid 60 and name H )) (( segid " " and resid 50 and name HZ )) 4.400 2.500 1.600 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.78127E-03 ppm1 7.229 ppm2 6.745 CV 1 ASSI { 1570} (( segid " " and resid 60 and name H )) ( segid " " and resid 50 and name HE% ) 3.700 1.700 1.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.96993E-03 ppm1 7.230 ppm2 6.508 CV 1 ASSI { 1571} (( segid " " and resid 60 and name H )) (( segid " " and resid 59 and name H )) 4.600 2.600 1.400 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.14063E-02 ppm1 7.230 ppm2 7.337 CV 1 ASSI { 1572} (( segid " " and resid 61 and name H )) ( segid " " and resid 50 and name HD% ) 4.300 2.300 1.700 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 8.464 ppm2 5.507 CV 1 ASSI { 1573} (( segid " " and resid 60 and name H )) ( segid " " and resid 50 and name HD% ) 4.200 2.200 1.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.43637E-03 ppm1 7.229 ppm2 5.503 CV 1 ASSI { 1576} (( segid " " and resid 60 and name H )) (( segid " " and resid 59 and name HA3 )) 3.000 1.100 1.100 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.30736E-02 ppm1 7.230 ppm2 3.748 CV 1 ASSI { 1577} (( segid " " and resid 60 and name H )) (( segid " " and resid 59 and name HA2 )) 2.600 0.900 0.900 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.25306E-02 ppm1 7.231 ppm2 3.564 CV 1 ASSI { 1578} (( segid " " and resid 61 and name H )) (( segid " " and resid 105 and name HB2 )) 5.200 3.400 0.800 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.37349E-03 ppm1 8.459 ppm2 3.702 CV 1 ASSI { 1579} (( segid " " and resid 61 and name H )) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.54005E-02 ppm1 8.459 ppm2 4.478 CV 1 ASSI { 1580} (( segid " " and resid 61 and name H )) (( segid " " and resid 61 and name HA )) 3.200 1.300 1.300 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.10366E-02 ppm1 8.459 ppm2 4.871 CV 1 ASSI { 1581} (( segid " " and resid 61 and name H )) (( segid " " and resid 61 and name HB3 )) 4.200 2.200 1.800 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 8.459 ppm2 3.166 CV 1 ASSI { 1582} (( segid " " and resid 61 and name H )) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.16426E-02 ppm1 8.458 ppm2 3.017 CV 1 ASSI { 1584} (( segid " " and resid 61 and name H )) (( segid " " and resid 60 and name HG13)) 4.400 2.400 1.600 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.55832E-03 ppm1 8.463 ppm2 1.319 CV 1 ASSI { 1589} (( segid " " and resid 60 and name H )) ( segid " " and resid 62 and name HD1%) 5.800 4.100 0.200 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.29728E-03 ppm1 7.231 ppm2 0.390 CV 1 ASSI { 1592} (( segid " " and resid 60 and name H )) ( segid " " and resid 62 and name HD2%) 5.400 3.700 0.600 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 7.235 ppm2 -0.163 CV 1 ASSI { 1593} (( segid " " and resid 59 and name H )) (( segid " " and resid 57 and name H )) 3.900 1.900 1.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.90896E-03 ppm1 7.338 ppm2 8.132 CV 1 ASSI { 1594} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name H )) 2.400 0.700 0.700 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 7.339 ppm2 8.023 CV 1 ASSI { 1596} (( segid " " and resid 59 and name H )) ( segid " " and resid 50 and name HE% ) 4.600 2.700 1.400 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 7.341 ppm2 6.506 CV 1 ASSI { 1597} (( segid " " and resid 59 and name H )) (( segid " " and resid 50 and name HZ )) 4.200 2.200 1.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.13949E-02 ppm1 7.341 ppm2 6.742 CV 1 ASSI { 1601} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.33196E-02 ppm1 7.339 ppm2 4.344 CV 1 ASSI { 1603} (( segid " " and resid 59 and name H )) (( segid " " and resid 52 and name HA )) 4.300 2.300 1.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 7.339 ppm2 3.962 CV 1 ASSI { 1604} (( segid " " and resid 59 and name H )) (( segid " " and resid 59 and name HA3 )) 2.500 0.800 0.800 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.35938E-02 ppm1 7.340 ppm2 3.748 CV 1 ASSI { 1605} (( segid " " and resid 59 and name H )) (( segid " " and resid 59 and name HA2 )) 2.900 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.37540E-02 ppm1 7.339 ppm2 3.565 CV 1 ASSI { 1606} (( segid " " and resid 59 and name H )) (( segid " " and resid 181 and name HD2 )) 3.900 1.900 1.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.66123E-03 ppm1 7.339 ppm2 3.399 CV 1 ASSI { 1607} (( segid " " and resid 59 and name H )) (( segid " " and resid 181 and name HD3 )) 3.900 1.900 1.900 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 7.338 ppm2 3.190 CV 1 ASSI { 1608} (( segid " " and resid 58 and name H )) (( segid " " and resid 59 and name HA3 )) 5.200 3.400 0.800 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.48402E-03 ppm1 8.022 ppm2 3.740 CV 1 ASSI { 1609} (( segid " " and resid 58 and name H )) (( segid " " and resid 59 and name HA2 )) 5.300 3.600 0.700 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.45544E-03 ppm1 8.026 ppm2 3.569 CV 1 ASSI { 1611} (( segid " " and resid 58 and name H )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.31862E-02 ppm1 8.023 ppm2 4.344 CV 1 ASSI { 1613} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HE2 )) 2.900 2.900 3.100 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 7.340 ppm2 2.902 CV 1 OR { 1613} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HE3 )) ASSI { 1614} (( segid " " and resid 59 and name H )) (( segid " " and resid 53 and name HB3 )) 3.900 1.900 1.900 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.94517E-03 ppm1 7.340 ppm2 2.612 CV 1 ASSI { 1615} (( segid " " and resid 59 and name H )) (( segid " " and resid 55 and name HB3 )) 3.000 3.000 3.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.32586E-03 ppm1 7.336 ppm2 2.447 CV 1 ASSI { 1616} (( segid " " and resid 58 and name H )) (( segid " " and resid 53 and name HB3 )) 4.400 2.400 1.600 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.83844E-03 ppm1 8.021 ppm2 2.611 CV 1 ASSI { 1618} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HB3 )) 3.500 1.600 1.600 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.17455E-02 ppm1 7.339 ppm2 1.909 CV 1 ASSI { 1619} (( segid " " and resid 59 and name H )) (( segid " " and resid 53 and name HB2 )) 3.900 1.900 1.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.10328E-02 ppm1 7.340 ppm2 2.118 CV 1 ASSI { 1620} (( segid " " and resid 58 and name H )) (( segid " " and resid 53 and name HB2 )) 4.700 2.700 1.300 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.82701E-03 ppm1 8.021 ppm2 2.114 CV 1 ASSI { 1621} (( segid " " and resid 58 and name H )) (( segid " " and resid 58 and name HB3 )) 3.400 1.500 1.500 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.22238E-02 ppm1 8.023 ppm2 1.908 CV 1 ASSI { 1622} (( segid " " and resid 58 and name H )) (( segid " " and resid 58 and name HB2 )) 2.500 2.500 3.500 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.24696E-02 ppm1 8.022 ppm2 1.717 CV 1 ASSI { 1624} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.13682E-02 ppm1 7.338 ppm2 1.714 CV 1 ASSI { 1625} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HD3 )) 4.100 2.100 1.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 7.338 ppm2 1.627 CV 1 OR { 1625} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HD2 )) ASSI { 1626} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HG2 )) 2.600 2.600 3.400 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.84606E-03 ppm1 7.340 ppm2 1.296 CV 1 ASSI { 1627} (( segid " " and resid 59 and name H )) (( segid " " and resid 58 and name HG3 )) 4.300 2.300 1.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.80985E-03 ppm1 7.340 ppm2 1.190 CV 1 ASSI { 1628} (( segid " " and resid 58 and name H )) (( segid " " and resid 58 and name HG2 )) 3.700 1.700 1.700 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.16502E-02 ppm1 8.022 ppm2 1.285 CV 1 ASSI { 1631} (( segid " " and resid 57 and name H )) (( segid " " and resid 58 and name H )) 2.300 0.700 0.700 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.38093E-02 ppm1 8.133 ppm2 8.023 CV 1 ASSI { 1632} (( segid " " and resid 57 and name H )) (( segid " " and resid 56 and name HA )) 2.900 1.000 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.26583E-02 ppm1 8.133 ppm2 4.355 CV 1 ASSI { 1633} (( segid " " and resid 57 and name H )) (( segid " " and resid 57 and name HA )) 2.600 0.900 0.900 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.38072E-02 ppm1 8.133 ppm2 4.141 CV 1 ASSI { 1634} (( segid " " and resid 57 and name H )) (( segid " " and resid 56 and name HD2 )) 3.100 1.200 1.200 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.13568E-02 ppm1 8.133 ppm2 4.029 CV 1 ASSI { 1635} (( segid " " and resid 57 and name H )) (( segid " " and resid 56 and name HD3 )) 3.800 1.800 1.800 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.16693E-02 ppm1 8.132 ppm2 3.981 CV 1 ASSI { 1636} (( segid " " and resid 57 and name H )) (( segid " " and resid 55 and name HA )) 3.900 1.900 1.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.12481E-02 ppm1 8.134 ppm2 4.929 CV 1 ASSI { 1637} (( segid " " and resid 57 and name H )) (( segid " " and resid 57 and name HE3 )) 4.600 2.700 1.400 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 8.133 ppm2 2.951 CV 1 ASSI { 1638} (( segid " " and resid 57 and name H )) (( segid " " and resid 55 and name HB2 )) 3.800 1.800 1.800 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.55070E-03 ppm1 8.137 ppm2 2.866 CV 1 ASSI { 1639} (( segid " " and resid 57 and name H )) (( segid " " and resid 55 and name HB3 )) 3.300 1.300 1.300 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.66694E-03 ppm1 8.133 ppm2 2.448 CV 1 ASSI { 1641} (( segid " " and resid 57 and name H )) (( segid " " and resid 57 and name HG2 )) 2.300 0.600 0.600 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.38721E-02 ppm1 8.133 ppm2 1.413 CV 1 ASSI { 1642} (( segid " " and resid 57 and name H )) (( segid " " and resid 58 and name HG2 )) 5.200 3.400 0.800 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.71077E-03 ppm1 8.131 ppm2 1.284 CV 1 ASSI { 1643} (( segid " " and resid 57 and name H )) (( segid " " and resid 57 and name HB2 )) 2.400 0.700 0.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.52118E-02 ppm1 8.133 ppm2 1.779 CV 1 ASSI { 1645} (( segid " " and resid 57 and name H )) (( segid " " and resid 56 and name HG2 )) 2.500 0.800 0.800 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.36548E-02 ppm1 8.134 ppm2 2.019 CV 1 ASSI { 1646} (( segid " " and resid 57 and name H )) (( segid " " and resid 58 and name HB3 )) 5.300 3.500 0.700 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.83464E-03 ppm1 8.132 ppm2 1.907 CV 1 ASSI { 1648} (( segid " " and resid 55 and name H )) (( segid " " and resid 58 and name H )) 3.700 1.700 1.700 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.98326E-03 ppm1 9.263 ppm2 8.025 CV 1 ASSI { 1649} (( segid " " and resid 54 and name H )) (( segid " " and resid 55 and name H )) 2.400 0.700 0.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.45314E-02 ppm1 8.271 ppm2 9.266 CV 1 ASSI { 1650} (( segid " " and resid 53 and name H )) (( segid " " and resid 55 and name H )) 5.100 3.200 0.900 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.50878E-03 ppm1 8.026 ppm2 9.267 CV 1 ASSI { 1651} (( segid " " and resid 53 and name H )) (( segid " " and resid 54 and name H )) 3.200 1.300 1.300 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 8.028 ppm2 8.271 CV 1 ASSI { 1652} (( segid " " and resid 53 and name H )) (( segid " " and resid 52 and name H )) 3.800 1.800 1.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 8.024 ppm2 8.128 CV 1 ASSI { 1654} (( segid " " and resid 53 and name H )) (( segid " " and resid 59 and name H )) 4.300 2.300 1.700 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.74698E-03 ppm1 8.028 ppm2 7.335 CV 1 ASSI { 1655} (( segid " " and resid 53 and name H )) (( segid " " and resid 60 and name H )) 4.400 2.400 1.600 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.57548E-03 ppm1 8.029 ppm2 7.236 CV 1 ASSI { 1656} (( segid " " and resid 53 and name H )) (( segid " " and resid 50 and name HZ )) 4.600 2.700 1.400 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.73173E-03 ppm1 8.027 ppm2 6.744 CV 1 ASSI { 1657} (( segid " " and resid 53 and name H )) ( segid " " and resid 50 and name HE% ) 4.100 2.100 1.900 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.15892E-02 ppm1 8.027 ppm2 6.505 CV 1 ASSI { 1658} (( segid " " and resid 53 and name H )) ( segid " " and resid 50 and name HD% ) 4.900 3.000 1.100 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.57548E-03 ppm1 8.030 ppm2 5.504 CV 1 ASSI { 1659} (( segid " " and resid 55 and name H )) (( segid " " and resid 55 and name HA )) 2.800 1.000 1.000 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.27725E-02 ppm1 9.265 ppm2 4.928 CV 1 ASSI { 1662} (( segid " " and resid 55 and name H )) (( segid " " and resid 56 and name HD2 )) 4.800 2.900 1.200 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.81177E-03 ppm1 9.265 ppm2 4.035 CV 1 ASSI { 1663} (( segid " " and resid 55 and name H )) (( segid " " and resid 56 and name HD3 )) 4.900 2.900 1.100 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.92801E-03 ppm1 9.264 ppm2 3.977 CV 1 ASSI { 1664} (( segid " " and resid 54 and name H )) (( segid " " and resid 54 and name HA )) 2.500 0.800 0.800 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.67875E-02 ppm1 8.271 ppm2 4.168 CV 1 ASSI { 1665} (( segid " " and resid 54 and name H )) (( segid " " and resid 52 and name HA )) 4.700 2.800 1.300 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.47448E-03 ppm1 8.273 ppm2 3.964 CV 1 ASSI { 1667} (( segid " " and resid 54 and name H )) (( segid " " and resid 55 and name HA )) 4.200 2.200 1.800 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.80034E-03 ppm1 8.273 ppm2 4.928 CV 1 ASSI { 1668} (( segid " " and resid 53 and name H )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.44172E-02 ppm1 8.028 ppm2 4.586 CV 1 ASSI { 1669} (( segid " " and resid 53 and name H )) (( segid " " and resid 54 and name HA )) 4.800 2.900 1.200 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.48973E-03 ppm1 8.029 ppm2 4.168 CV 1 ASSI { 1670} (( segid " " and resid 53 and name H )) (( segid " " and resid 52 and name HA )) 2.200 0.600 0.600 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.89524E-02 ppm1 8.028 ppm2 3.957 CV 1 ASSI { 1672} (( segid " " and resid 54 and name H )) (( segid " " and resid 52 and name HB3 )) 2.900 2.900 3.100 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.44399E-03 ppm1 8.273 ppm2 3.703 CV 1 ASSI { 1674} (( segid " " and resid 55 and name H )) (( segid " " and resid 55 and name HB2 )) 2.300 0.700 0.700 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.41065E-02 ppm1 9.265 ppm2 2.874 CV 1 ASSI { 1675} (( segid " " and resid 55 and name H )) (( segid " " and resid 53 and name HB3 )) 3.500 1.500 1.500 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.16083E-02 ppm1 9.264 ppm2 2.612 CV 1 ASSI { 1677} (( segid " " and resid 55 and name H )) (( segid " " and resid 55 and name HB3 )) 3.000 1.100 1.100 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.64619E-02 ppm1 9.265 ppm2 2.452 CV 1 ASSI { 1678} (( segid " " and resid 55 and name H )) (( segid " " and resid 53 and name HB2 )) 4.500 2.500 1.500 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 9.266 ppm2 2.115 CV 1 ASSI { 1679} (( segid " " and resid 55 and name H )) (( segid " " and resid 58 and name HB3 )) 4.500 2.600 1.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.63073E-03 ppm1 9.263 ppm2 1.905 CV 1 ASSI { 1680} (( segid " " and resid 55 and name H )) (( segid " " and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.83273E-03 ppm1 9.266 ppm2 1.711 CV 1 ASSI { 1682} (( segid " " and resid 54 and name H )) (( segid " " and resid 58 and name HB2 )) 4.200 2.200 1.800 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.35062E-03 ppm1 8.271 ppm2 1.723 CV 1 ASSI { 1683} (( segid " " and resid 54 and name H )) (( segid " " and resid 53 and name HB2 )) 3.600 1.600 1.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.18541E-02 ppm1 8.272 ppm2 2.115 CV 1 ASSI { 1685} (( segid " " and resid 54 and name H )) (( segid " " and resid 54 and name HB2 )) 2.800 1.000 1.000 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.76641E-02 ppm1 8.271 ppm2 2.455 CV 1 ASSI { 1686} (( segid " " and resid 54 and name H )) (( segid " " and resid 55 and name HB2 )) 4.300 2.300 1.700 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 8.274 ppm2 2.879 CV 1 ASSI { 1687} (( segid " " and resid 54 and name H )) (( segid " " and resid 53 and name HB3 )) 2.900 1.000 1.000 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.16940E-02 ppm1 8.269 ppm2 2.612 CV 1 ASSI { 1688} (( segid " " and resid 53 and name H )) (( segid " " and resid 53 and name HB3 )) 3.100 1.200 1.200 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.27593E-02 ppm1 8.027 ppm2 2.615 CV 1 ASSI { 1689} (( segid " " and resid 53 and name H )) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.28355E-02 ppm1 8.029 ppm2 2.114 CV 1 ASSI { 1690} (( segid " " and resid 53 and name H )) (( segid " " and resid 58 and name HB2 )) 4.600 2.700 1.400 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.52211E-03 ppm1 8.027 ppm2 1.721 CV 1 ASSI { 1691} (( segid " " and resid 55 and name H )) (( segid " " and resid 58 and name HG2 )) 4.500 2.500 1.500 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.57928E-03 ppm1 9.267 ppm2 1.288 CV 1 ASSI { 1692} (( segid " " and resid 55 and name H )) (( segid " " and resid 58 and name HG3 )) 4.900 3.000 1.100 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.38302E-03 ppm1 9.266 ppm2 1.189 CV 1 ASSI { 1693} (( segid " " and resid 53 and name H )) ( segid " " and resid 51 and name HD1%) 4.000 2.000 2.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.45161E-03 ppm1 8.024 ppm2 0.762 CV 1 ASSI { 1695} (( segid " " and resid 52 and name H )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.24086E-02 ppm1 8.139 ppm2 3.958 CV 1 ASSI { 1697} (( segid " " and resid 51 and name H )) (( segid " " and resid 61 and name HA )) 3.800 1.800 1.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.86702E-03 ppm1 8.431 ppm2 4.873 CV 1 ASSI { 1699} (( segid " " and resid 51 and name H )) (( segid " " and resid 50 and name H )) 5.000 3.100 1.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 8.430 ppm2 9.135 CV 1 ASSI { 1700} (( segid " " and resid 51 and name H )) (( segid " " and resid 62 and name H )) 4.600 2.600 1.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.37540E-03 ppm1 8.428 ppm2 8.786 CV 1 ASSI { 1701} (( segid " " and resid 51 and name H )) (( segid " " and resid 52 and name H )) 4.700 2.700 1.300 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 8.432 ppm2 8.138 CV 1 ASSI { 1702} (( segid " " and resid 51 and name H )) (( segid " " and resid 61 and name HE3 )) 5.700 4.100 0.300 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.24963E-03 ppm1 8.432 ppm2 7.525 CV 1 ASSI { 1704} (( segid " " and resid 52 and name H )) ( segid " " and resid 50 and name HE% ) 4.100 2.100 1.900 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.82893E-03 ppm1 8.139 ppm2 6.504 CV 1 ASSI { 1705} (( segid " " and resid 51 and name H )) ( segid " " and resid 50 and name HE% ) 4.400 2.400 1.600 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.45924E-03 ppm1 8.427 ppm2 6.500 CV 1 ASSI { 1706} (( segid " " and resid 52 and name H )) ( segid " " and resid 50 and name HD% ) 3.800 1.800 1.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.68410E-03 ppm1 8.138 ppm2 5.504 CV 1 ASSI { 1707} (( segid " " and resid 52 and name H )) (( segid " " and resid 79 and name HA )) 3.300 1.400 1.400 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.12081E-02 ppm1 8.137 ppm2 4.895 CV 1 ASSI { 1710} (( segid " " and resid 51 and name H )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.15416E-02 ppm1 8.431 ppm2 0.937 CV 1 ASSI { 1715} (( segid " " and resid 51 and name H )) (( segid " " and resid 80 and name HB2 )) 5.600 4.000 0.400 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.24201E-03 ppm1 8.429 ppm2 1.970 CV 1 ASSI { 1717} (( segid " " and resid 51 and name H )) ( segid " " and resid 62 and name HD2%) 4.600 2.700 1.400 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.53547E-03 ppm1 8.427 ppm2 -0.162 CV 1 ASSI { 1720} (( segid " " and resid 49 and name H )) (( segid " " and resid 61 and name HE3 )) 3.400 1.500 1.500 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.10233E-02 ppm1 9.079 ppm2 7.516 CV 1 ASSI { 1721} (( segid " " and resid 49 and name H )) ( segid " " and resid 81 and name HD% ) 5.400 3.700 0.600 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.38302E-03 ppm1 9.080 ppm2 6.808 CV 1 ASSI { 1722} (( segid " " and resid 49 and name H )) (( segid " " and resid 61 and name HZ3 )) 4.100 2.200 1.900 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.59264E-03 ppm1 9.082 ppm2 6.627 CV 1 ASSI { 1723} (( segid " " and resid 49 and name H )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.95088E-03 ppm1 9.081 ppm2 5.426 CV 1 ASSI { 1725} (( segid " " and resid 50 and name H )) (( segid " " and resid 79 and name HA )) 4.600 2.700 1.400 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.38682E-03 ppm1 9.126 ppm2 4.883 CV 1 ASSI { 1726} (( segid " " and resid 49 and name H )) (( segid " " and resid 48 and name HA3 )) 2.900 1.000 1.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.20885E-02 ppm1 9.080 ppm2 4.464 CV 1 ASSI { 1727} (( segid " " and resid 49 and name H )) (( segid " " and resid 48 and name HA2 )) 2.900 1.100 1.100 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.20409E-02 ppm1 9.078 ppm2 3.936 CV 1 ASSI { 1728} (( segid " " and resid 49 and name H )) (( segid " " and resid 49 and name HG )) 3.100 1.200 1.200 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.12215E-02 ppm1 9.080 ppm2 1.775 CV 1 ASSI { 1729} (( segid " " and resid 49 and name H )) (( segid " " and resid 49 and name HB2 )) 2.600 0.900 0.900 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.14539E-02 ppm1 9.080 ppm2 1.509 CV 1 ASSI { 1730} (( segid " " and resid 49 and name H )) (( segid " " and resid 49 and name HB3 )) 3.800 1.800 1.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.11795E-02 ppm1 9.079 ppm2 1.275 CV 1 ASSI { 1732} (( segid " " and resid 50 and name H )) (( segid " " and resid 80 and name HB3 )) 4.400 2.400 1.600 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.47448E-03 ppm1 9.129 ppm2 1.980 CV 1 OR { 1732} (( segid " " and resid 50 and name H )) (( segid " " and resid 80 and name HB2 )) ASSI { 1733} (( segid " " and resid 50 and name H )) (( segid " " and resid 49 and name HG )) 5.500 3.800 0.500 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 9.125 ppm2 1.774 CV 1 ASSI { 1734} (( segid " " and resid 50 and name H )) (( segid " " and resid 49 and name HB2 )) 4.600 2.700 1.400 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.47448E-03 ppm1 9.124 ppm2 1.486 CV 1 ASSI { 1735} (( segid " " and resid 50 and name H )) (( segid " " and resid 49 and name HB3 )) 3.600 1.700 1.700 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 9.126 ppm2 1.282 CV 1 ASSI { 1736} (( segid " " and resid 49 and name H )) ( segid " " and resid 49 and name HD2%) 4.000 2.000 2.000 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 9.079 ppm2 0.869 CV 1 ASSI { 1737} (( segid " " and resid 49 and name H )) ( segid " " and resid 25 and name HG1%) 3.300 1.300 1.300 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.18141E-02 ppm1 9.080 ppm2 0.748 CV 1 ASSI { 1739} (( segid " " and resid 50 and name H )) ( segid " " and resid 49 and name HD1%) 5.300 3.500 0.700 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.71460E-03 ppm1 9.127 ppm2 0.745 CV 1 ASSI { 1740} (( segid " " and resid 49 and name H )) ( segid " " and resid 62 and name HD1%) 5.700 4.000 0.300 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.44019E-03 ppm1 9.081 ppm2 0.398 CV 1 ASSI { 1741} (( segid " " and resid 48 and name H )) (( segid " " and resid 49 and name H )) 4.900 2.900 1.100 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.50307E-03 ppm1 8.605 ppm2 9.087 CV 1 ASSI { 1743} (( segid " " and resid 48 and name H )) (( segid " " and resid 47 and name H )) 4.100 2.100 1.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.86702E-03 ppm1 8.608 ppm2 7.508 CV 1 ASSI { 1744} (( segid " " and resid 48 and name H )) ( segid " " and resid 47 and name HE% ) 5.300 3.500 0.700 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.37731E-03 ppm1 8.609 ppm2 7.092 CV 1 ASSI { 1745} (( segid " " and resid 48 and name H )) ( segid " " and resid 81 and name HD% ) 4.600 2.600 1.400 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.37920E-03 ppm1 8.608 ppm2 6.804 CV 1 ASSI { 1747} (( segid " " and resid 48 and name H )) (( segid " " and resid 61 and name HZ3 )) 3.000 1.100 1.100 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 8.609 ppm2 6.624 CV 1 ASSI { 1748} (( segid " " and resid 48 and name H )) (( segid " " and resid 61 and name HH2 )) 4.100 2.100 1.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.55832E-03 ppm1 8.609 ppm2 6.491 CV 1 ASSI { 1749} (( segid " " and resid 48 and name H )) ( segid " " and resid 81 and name HE% ) 5.100 3.300 0.900 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.32203E-03 ppm1 8.613 ppm2 6.310 CV 1 ASSI { 1750} (( segid " " and resid 47 and name H )) ( segid " " and resid 47 and name HD% ) 2.900 1.100 1.100 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.37444E-02 ppm1 7.488 ppm2 6.708 CV 1 ASSI { 1751} (( segid " " and resid 47 and name H )) ( segid " " and resid 81 and name HE% ) 5.700 4.100 0.300 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.59264E-03 ppm1 7.492 ppm2 6.306 CV 1 ASSI { 1752} (( segid " " and resid 47 and name H )) ( segid " " and resid 47 and name HE% ) 4.700 2.700 1.300 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.98138E-03 ppm1 7.490 ppm2 7.091 CV 1 ASSI { 1753} (( segid " " and resid 47 and name H )) (( segid " " and resid 84 and name H )) 4.600 2.600 1.400 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.39636E-03 ppm1 7.490 ppm2 8.105 CV 1 ASSI { 1755} (( segid " " and resid 47 and name H )) (( segid " " and resid 46 and name H )) 2.700 0.900 0.900 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.33746E-02 ppm1 7.488 ppm2 7.854 CV 1 ASSI { 1757} (( segid " " and resid 48 and name H )) (( segid " " and resid 47 and name HA )) 2.400 0.700 0.700 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.25363E-02 ppm1 8.609 ppm2 4.873 CV 1 ASSI { 1758} (( segid " " and resid 48 and name H )) (( segid " " and resid 48 and name HA3 )) 2.900 1.000 1.000 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 8.608 ppm2 4.469 CV 1 ASSI { 1759} (( segid " " and resid 48 and name H )) (( segid " " and resid 48 and name HA2 )) 3.500 1.500 1.500 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.10805E-02 ppm1 8.609 ppm2 3.938 CV 1 ASSI { 1760} (( segid " " and resid 47 and name H )) (( segid " " and resid 45 and name HA )) 3.500 1.500 1.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 7.488 ppm2 4.623 CV 1 ASSI { 1761} (( segid " " and resid 47 and name H )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.25477E-02 ppm1 7.488 ppm2 4.475 CV 1 ASSI { 1762} (( segid " " and resid 47 and name H )) (( segid " " and resid 44 and name HA )) 4.000 2.000 2.000 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.67265E-03 ppm1 7.490 ppm2 4.229 CV 1 ASSI { 1763} (( segid " " and resid 47 and name H )) (( segid " " and resid 47 and name HA )) 2.900 1.000 1.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.16254E-02 ppm1 7.489 ppm2 4.871 CV 1 ASSI { 1764} (( segid " " and resid 47 and name H )) (( segid " " and resid 83 and name HA )) 4.800 2.900 1.200 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 7.490 ppm2 3.527 CV 1 ASSI { 1768} (( segid " " and resid 47 and name H )) (( segid " " and resid 46 and name HB3 )) 4.100 2.100 1.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 7.487 ppm2 2.646 CV 1 ASSI { 1769} (( segid " " and resid 47 and name H )) (( segid " " and resid 47 and name HB2 )) 2.700 0.900 0.900 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.25649E-02 ppm1 7.488 ppm2 2.544 CV 1 ASSI { 1770} (( segid " " and resid 47 and name H )) (( segid " " and resid 46 and name HB2 )) 3.800 1.800 1.800 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.12462E-02 ppm1 7.489 ppm2 2.326 CV 1 ASSI { 1771} (( segid " " and resid 47 and name H )) (( segid " " and resid 43 and name HG2 )) 4.800 2.800 1.200 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.55070E-03 ppm1 7.490 ppm2 1.982 CV 1 OR { 1771} (( segid " " and resid 47 and name H )) (( segid " " and resid 43 and name HB2 )) ASSI { 1772} (( segid " " and resid 47 and name H )) (( segid " " and resid 47 and name HB3 )) 3.700 1.700 1.700 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.21400E-02 ppm1 7.488 ppm2 1.850 CV 1 ASSI { 1773} (( segid " " and resid 48 and name H )) (( segid " " and resid 47 and name HB2 )) 4.300 2.300 1.700 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.98900E-03 ppm1 8.609 ppm2 2.547 CV 1 ASSI { 1774} (( segid " " and resid 48 and name H )) (( segid " " and resid 84 and name HE3 )) 5.000 3.100 1.000 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.39254E-03 ppm1 8.608 ppm2 2.350 CV 1 OR { 1774} (( segid " " and resid 48 and name H )) (( segid " " and resid 84 and name HE2 )) ASSI { 1775} (( segid " " and resid 48 and name H )) (( segid " " and resid 47 and name HB3 )) 3.200 1.300 1.300 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.12939E-02 ppm1 8.607 ppm2 1.849 CV 1 ASSI { 1777} (( segid " " and resid 48 and name H )) (( segid " " and resid 84 and name HG3 )) 4.300 2.300 1.700 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 8.614 ppm2 0.038 CV 1 ASSI { 1778} (( segid " " and resid 47 and name H )) (( segid " " and resid 84 and name HD2 )) 5.200 3.400 0.800 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.27820E-03 ppm1 7.489 ppm2 1.049 CV 1 OR { 1778} (( segid " " and resid 47 and name H )) (( segid " " and resid 84 and name HD3 )) ASSI { 1779} (( segid " " and resid 47 and name H )) (( segid " " and resid 83 and name HG3 )) 4.500 2.600 1.500 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.38491E-03 ppm1 7.492 ppm2 0.913 CV 1 ASSI { 1780} (( segid " " and resid 48 and name H )) (( segid " " and resid 84 and name HD3 )) 4.800 2.900 1.200 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.33919E-03 ppm1 8.608 ppm2 1.055 CV 1 ASSI { 1781} (( segid " " and resid 48 and name H )) (( segid " " and resid 82 and name HG3 )) 4.000 2.000 2.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 8.609 ppm2 1.526 CV 1 ASSI { 1782} (( segid " " and resid 47 and name H )) (( segid " " and resid 84 and name HG2 )) 4.900 3.000 1.100 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.30108E-03 ppm1 7.491 ppm2 0.553 CV 1 ASSI { 1783} (( segid " " and resid 47 and name H )) (( segid " " and resid 84 and name HG3 )) 4.500 2.600 1.500 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.32586E-03 ppm1 7.491 ppm2 0.037 CV 1 ASSI { 1784} (( segid " " and resid 46 and name H )) ( segid " " and resid 47 and name HD% ) 2.800 1.000 1.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.21476E-02 ppm1 7.852 ppm2 6.709 CV 1 ASSI { 1785} (( segid " " and resid 46 and name H )) ( segid " " and resid 47 and name HE% ) 4.400 2.500 1.600 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.80034E-03 ppm1 7.850 ppm2 7.084 CV 1 ASSI { 1788} (( segid " " and resid 45 and name H )) (( segid " " and resid 46 and name H )) 2.700 0.900 0.900 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.22581E-02 ppm1 8.558 ppm2 7.854 CV 1 ASSI { 1790} (( segid " " and resid 45 and name H )) (( segid " " and resid 47 and name H )) 4.700 2.800 1.300 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.65743E-03 ppm1 8.558 ppm2 7.491 CV 1 ASSI { 1791} (( segid " " and resid 45 and name H )) ( segid " " and resid 47 and name HD% ) 4.600 2.600 1.400 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.45924E-03 ppm1 8.560 ppm2 6.714 CV 1 ASSI { 1792} (( segid " " and resid 45 and name H )) (( segid " " and resid 45 and name HA )) 2.800 0.900 0.900 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.42019E-02 ppm1 8.558 ppm2 4.625 CV 1 ASSI { 1793} (( segid " " and resid 45 and name H )) (( segid " " and resid 46 and name HA )) 5.000 3.100 1.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.63647E-03 ppm1 8.558 ppm2 4.472 CV 1 ASSI { 1794} (( segid " " and resid 45 and name H )) (( segid " " and resid 44 and name HA )) 3.100 1.200 1.200 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.15130E-02 ppm1 8.557 ppm2 4.228 CV 1 ASSI { 1795} (( segid " " and resid 45 and name H )) (( segid " " and resid 44 and name HD2 )) 3.100 1.200 1.200 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.12996E-02 ppm1 8.559 ppm2 3.799 CV 1 ASSI { 1796} (( segid " " and resid 45 and name H )) (( segid " " and resid 43 and name HA )) 3.800 1.800 1.800 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.70126E-03 ppm1 8.557 ppm2 4.697 CV 1 ASSI { 1798} (( segid " " and resid 46 and name H )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.40055E-02 ppm1 7.853 ppm2 4.476 CV 1 ASSI { 1799} (( segid " " and resid 46 and name H )) (( segid " " and resid 47 and name HA )) 4.500 2.500 1.500 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 7.853 ppm2 4.871 CV 1 ASSI { 1800} (( segid " " and resid 46 and name H )) (( segid " " and resid 44 and name HA )) 3.500 1.600 1.600 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.90323E-03 ppm1 7.853 ppm2 4.232 CV 1 ASSI { 1801} (( segid " " and resid 46 and name H )) (( segid " " and resid 43 and name HD3 )) 4.800 2.900 1.200 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.64027E-03 ppm1 7.850 ppm2 3.679 CV 1 OR { 1801} (( segid " " and resid 46 and name H )) (( segid " " and resid 43 and name HD2 )) ASSI { 1802} (( segid " " and resid 45 and name H )) (( segid " " and resid 45 and name HB2 )) 2.300 0.700 0.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.67495E-02 ppm1 8.558 ppm2 2.751 CV 1 ASSI { 1803} (( segid " " and resid 45 and name H )) (( segid " " and resid 43 and name HB3 )) 4.300 2.300 1.700 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.10957E-02 ppm1 8.558 ppm2 2.325 CV 1 ASSI { 1804} (( segid " " and resid 45 and name H )) (( segid " " and resid 44 and name HB2 )) 3.400 1.400 1.400 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.14215E-02 ppm1 8.557 ppm2 2.160 CV 1 ASSI { 1805} (( segid " " and resid 45 and name H )) (( segid " " and resid 44 and name HG2 )) 2.900 1.100 1.100 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.18274E-02 ppm1 8.558 ppm2 2.075 CV 1 ASSI { 1806} (( segid " " and resid 45 and name H )) (( segid " " and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.36491E-02 ppm1 8.558 ppm2 1.990 CV 1 ASSI { 1807} (( segid " " and resid 45 and name H )) (( segid " " and resid 44 and name HG3 )) 4.200 2.200 1.800 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.13282E-02 ppm1 8.558 ppm2 1.898 CV 1 ASSI { 1808} (( segid " " and resid 46 and name H )) (( segid " " and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.19227E-02 ppm1 7.852 ppm2 1.983 CV 1 OR { 1808} (( segid " " and resid 46 and name H )) (( segid " " and resid 43 and name HG2 )) ASSI { 1809} (( segid " " and resid 46 and name H )) (( segid " " and resid 46 and name HB2 )) 2.500 0.800 0.800 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.36015E-02 ppm1 7.853 ppm2 2.323 CV 1 ASSI { 1810} (( segid " " and resid 46 and name H )) (( segid " " and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.19437E-02 ppm1 7.852 ppm2 2.751 CV 1 ASSI { 1811} (( segid " " and resid 46 and name H )) (( segid " " and resid 46 and name HB3 )) 3.400 1.500 1.500 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.32452E-02 ppm1 7.852 ppm2 2.649 CV 1 ASSI { 1812} (( segid " " and resid 46 and name H )) (( segid " " and resid 47 and name HB2 )) 3.900 1.900 1.900 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.66694E-03 ppm1 7.854 ppm2 2.547 CV 1 ASSI { 1813} (( segid " " and resid 42 and name H )) (( segid " " and resid 41 and name H )) 2.500 0.800 0.800 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.73382E-02 ppm1 7.585 ppm2 7.353 CV 1 ASSI { 1815} (( segid " " and resid 41 and name H )) (( segid " " and resid 39 and name H )) 3.700 1.700 1.700 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.78701E-03 ppm1 7.350 ppm2 8.004 CV 1 ASSI { 1816} (( segid " " and resid 40 and name H )) (( segid " " and resid 39 and name H )) 2.500 0.800 0.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.34452E-02 ppm1 7.365 ppm2 8.003 CV 1 ASSI { 1817} (( segid " " and resid 40 and name H )) (( segid " " and resid 42 and name H )) 5.000 3.100 1.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.31824E-03 ppm1 7.360 ppm2 7.584 CV 1 ASSI { 1818} (( segid " " and resid 40 and name H )) (( segid " " and resid 38 and name H )) 4.400 2.400 1.600 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.48973E-03 ppm1 7.366 ppm2 9.469 CV 1 ASSI { 1819} (( segid " " and resid 42 and name H )) ( segid " " and resid 81 and name HE% ) 5.400 3.700 0.600 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.38491E-03 ppm1 7.589 ppm2 6.305 CV 1 ASSI { 1820} (( segid " " and resid 42 and name H )) ( segid " " and resid 47 and name HD% ) 3.500 1.600 1.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.17055E-02 ppm1 7.584 ppm2 6.718 CV 1 ASSI { 1821} (( segid " " and resid 42 and name H )) ( segid " " and resid 47 and name HE% ) 3.100 1.200 1.200 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.34814E-02 ppm1 7.585 ppm2 7.087 CV 1 ASSI { 1822} (( segid " " and resid 41 and name H )) ( segid " " and resid 47 and name HE% ) 3.800 1.800 1.800 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.72411E-03 ppm1 7.350 ppm2 7.096 CV 1 ASSI { 1823} (( segid " " and resid 41 and name H )) ( segid " " and resid 47 and name HD% ) 4.700 2.700 1.300 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.41161E-03 ppm1 7.352 ppm2 6.730 CV 1 ASSI { 1824} (( segid " " and resid 41 and name H )) ( segid " " and resid 81 and name HE% ) 5.000 3.200 1.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 7.348 ppm2 6.313 CV 1 ASSI { 1825} (( segid " " and resid 42 and name H )) (( segid " " and resid 43 and name HA )) 4.100 2.100 1.900 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.53736E-03 ppm1 7.585 ppm2 4.706 CV 1 ASSI { 1826} (( segid " " and resid 42 and name H )) (( segid " " and resid 43 and name HD3 )) 3.300 1.400 1.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.39732E-02 ppm1 7.585 ppm2 3.672 CV 1 OR { 1826} (( segid " " and resid 42 and name H )) (( segid " " and resid 43 and name HD2 )) ASSI { 1827} (( segid " " and resid 42 and name H )) (( segid " " and resid 42 and name HA2 )) 2.200 0.600 0.600 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.17066E-01 ppm1 7.585 ppm2 4.233 CV 1 ASSI { 1828} (( segid " " and resid 42 and name H )) (( segid " " and resid 42 and name HA3 )) 2.400 0.700 0.700 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.80319E-02 ppm1 7.585 ppm2 4.087 CV 1 ASSI { 1829} (( segid " " and resid 40 and name H )) (( segid " " and resid 40 and name HA )) 2.400 0.700 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.39750E-02 ppm1 7.365 ppm2 4.216 CV 1 ASSI { 1830} (( segid " " and resid 40 and name H )) (( segid " " and resid 39 and name HA )) 3.000 1.100 1.100 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.22390E-02 ppm1 7.365 ppm2 4.017 CV 1 ASSI { 1831} (( segid " " and resid 40 and name H )) (( segid " " and resid 38 and name HA )) 3.600 1.600 1.600 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 7.364 ppm2 3.920 CV 1 ASSI { 1832} (( segid " " and resid 41 and name H )) (( segid " " and resid 41 and name HA )) 2.200 0.600 0.600 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.13688E-01 ppm1 7.349 ppm2 4.221 CV 1 ASSI { 1833} (( segid " " and resid 41 and name H )) (( segid " " and resid 42 and name HA3 )) 4.800 2.900 1.200 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 7.347 ppm2 4.106 CV 1 ASSI { 1834} (( segid " " and resid 41 and name H )) (( segid " " and resid 39 and name HA )) 3.300 1.400 1.400 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.11395E-02 ppm1 7.351 ppm2 4.016 CV 1 ASSI { 1835} (( segid " " and resid 41 and name H )) (( segid " " and resid 38 and name HA )) 3.700 1.700 1.700 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.80034E-03 ppm1 7.350 ppm2 3.920 CV 1 ASSI { 1837} (( segid " " and resid 41 and name H )) (( segid " " and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.19970E-02 ppm1 7.350 ppm2 1.702 CV 1 ASSI { 1838} (( segid " " and resid 41 and name H )) (( segid " " and resid 40 and name HB3 )) 3.600 1.600 1.600 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.21685E-02 ppm1 7.350 ppm2 1.555 CV 1 ASSI { 1839} (( segid " " and resid 41 and name H )) ( segid " " and resid 39 and name HB% ) 4.500 2.500 1.500 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.77365E-03 ppm1 7.352 ppm2 1.106 CV 1 ASSI { 1840} (( segid " " and resid 40 and name H )) ( segid " " and resid 41 and name HB% ) 4.200 2.200 1.800 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 7.365 ppm2 1.355 CV 1 ASSI { 1842} (( segid " " and resid 40 and name H )) (( segid " " and resid 36 and name HB )) 2.800 2.800 3.200 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 7.363 ppm2 1.896 CV 1 ASSI { 1844} (( segid " " and resid 40 and name H )) (( segid " " and resid 40 and name HG )) 3.200 1.300 1.300 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.48420E-02 ppm1 7.365 ppm2 1.608 CV 1 ASSI { 1845} (( segid " " and resid 42 and name H )) ( segid " " and resid 41 and name HB% ) 2.800 1.000 1.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.79577E-02 ppm1 7.585 ppm2 1.354 CV 1 ASSI { 1846} (( segid " " and resid 42 and name H )) (( segid " " and resid 40 and name HB2 )) 3.200 1.200 1.200 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 7.586 ppm2 1.700 CV 1 ASSI { 1847} (( segid " " and resid 42 and name H )) (( segid " " and resid 40 and name HB3 )) 4.400 2.500 1.600 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.97375E-03 ppm1 7.585 ppm2 1.551 CV 1 ASSI { 1848} (( segid " " and resid 42 and name H )) ( segid " " and resid 40 and name HD1%) 4.600 2.600 1.400 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.88800E-03 ppm1 7.586 ppm2 0.845 CV 1 ASSI { 1850} (( segid " " and resid 41 and name H )) ( segid " " and resid 40 and name HD1%) 3.300 1.400 1.400 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.14978E-02 ppm1 7.349 ppm2 0.849 CV 1 ASSI { 1851} (( segid " " and resid 41 and name H )) ( segid " " and resid 40 and name HD2%) 3.000 1.200 1.200 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.22943E-02 ppm1 7.350 ppm2 0.735 CV 1 ASSI { 1852} (( segid " " and resid 40 and name H )) ( segid " " and resid 40 and name HD1%) 2.000 0.500 0.500 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.33558E-02 ppm1 7.365 ppm2 0.845 CV 1 ASSI { 1853} (( segid " " and resid 40 and name H )) ( segid " " and resid 40 and name HD2%) 3.200 1.300 1.300 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.24334E-02 ppm1 7.366 ppm2 0.735 CV 1 ASSI { 1854} (( segid " " and resid 40 and name H )) (( segid " " and resid 40 and name HB3 )) 2.600 0.800 0.800 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.32718E-02 ppm1 7.366 ppm2 1.548 CV 1 ASSI { 1856} (( segid " " and resid 38 and name H )) (( segid " " and resid 39 and name H )) 2.800 1.000 1.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 9.468 ppm2 8.001 CV 1 ASSI { 1859} (( segid " " and resid 39 and name H )) ( segid " " and resid 81 and name HE% ) 5.200 3.300 0.800 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 7.988 ppm2 6.311 CV 1 ASSI { 1860} (( segid " " and resid 38 and name H )) (( segid " " and resid 36 and name HA )) 3.900 1.900 1.900 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.70315E-03 ppm1 9.469 ppm2 4.508 CV 1 ASSI { 1862} (( segid " " and resid 38 and name H )) (( segid " " and resid 39 and name HA )) 5.200 3.300 0.800 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.34873E-03 ppm1 9.471 ppm2 4.020 CV 1 ASSI { 1864} (( segid " " and resid 38 and name H )) (( segid " " and resid 37 and name HD2 )) 2.800 1.000 1.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.15359E-02 ppm1 9.470 ppm2 3.752 CV 1 ASSI { 1868} (( segid " " and resid 2 and name H )) (( segid " " and resid 2 and name HA )) 2.300 0.700 0.700 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.10744E-01 ppm1 7.975 ppm2 4.115 CV 1 ASSI { 1869} (( segid " " and resid 36 and name H )) (( segid " " and resid 36 and name HA )) 2.900 1.000 1.000 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.16979E-02 ppm1 7.976 ppm2 4.509 CV 1 ASSI { 1874} (( segid " " and resid 38 and name H )) (( segid " " and resid 38 and name HB3 )) 3.300 1.400 1.400 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.28451E-02 ppm1 9.469 ppm2 1.912 CV 1 ASSI { 1875} (( segid " " and resid 38 and name H )) (( segid " " and resid 38 and name HB2 )) 2.500 0.800 0.800 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.37540E-02 ppm1 9.469 ppm2 1.794 CV 1 ASSI { 1877} (( segid " " and resid 39 and name H )) (( segid " " and resid 38 and name HG2 )) 4.200 2.200 1.800 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.80797E-03 ppm1 8.003 ppm2 2.244 CV 1 ASSI { 1878} (( segid " " and resid 2 and name H )) (( segid " " and resid 21 and name HG3 )) 3.800 1.800 1.800 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.23781E-02 ppm1 7.975 ppm2 1.952 CV 1 ASSI { 1880} (( segid " " and resid 39 and name H )) (( segid " " and resid 38 and name HB2 )) 3.300 1.400 1.400 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 8.004 ppm2 1.788 CV 1 ASSI { 1881} (( segid " " and resid 36 and name H )) (( segid " " and resid 35 and name HG3 )) 2.600 0.900 0.900 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.27210E-02 ppm1 7.978 ppm2 1.673 CV 1 OR { 1881} (( segid " " and resid 36 and name H )) (( segid " " and resid 35 and name HG2 )) OR { 1881} (( segid " " and resid 36 and name H )) (( segid " " and resid 35 and name HB3 )) ASSI { 1882} (( segid " " and resid 36 and name H )) (( segid " " and resid 36 and name HG13)) 2.300 0.700 0.700 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.19989E-02 ppm1 7.977 ppm2 1.476 CV 1 ASSI { 1886} (( segid " " and resid 2 and name H )) ( segid " " and resid 2 and name HG2%) 2.200 0.600 0.600 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.16973E-01 ppm1 7.975 ppm2 0.865 CV 1 OR { 1886} (( segid " " and resid 2 and name H )) ( segid " " and resid 2 and name HG1%) ASSI { 1890} (( segid " " and resid 39 and name H )) ( segid " " and resid 32 and name HD1%) 4.800 2.800 1.200 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.74698E-03 ppm1 7.979 ppm2 0.109 CV 1 ASSI { 1892} (( segid " " and resid 2 and name H )) (( segid " " and resid 3 and name H )) 2.500 0.800 0.800 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.73935E-02 ppm1 7.974 ppm2 7.849 CV 1 ASSI { 1894} (( segid " " and resid 36 and name H )) (( segid " " and resid 35 and name H )) 2.500 0.800 0.800 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.33291E-02 ppm1 7.976 ppm2 7.517 CV 1 ASSI { 1897} (( segid " " and resid 34 and name H )) (( segid " " and resid 35 and name H )) 2.700 0.900 0.900 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.23057E-02 ppm1 7.626 ppm2 7.513 CV 1 ASSI { 1898} (( segid " " and resid 34 and name H )) (( segid " " and resid 33 and name H )) 2.700 0.900 0.900 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.18674E-02 ppm1 7.626 ppm2 7.458 CV 1 ASSI { 1899} (( segid " " and resid 34 and name H )) (( segid " " and resid 36 and name H )) 3.900 1.900 1.900 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.74506E-03 ppm1 7.630 ppm2 7.981 CV 1 ASSI { 1901} (( segid " " and resid 34 and name H )) (( segid " " and resid 31 and name HA )) 3.400 1.400 1.400 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.13053E-02 ppm1 7.626 ppm2 3.864 CV 1 ASSI { 1902} (( segid " " and resid 35 and name H )) (( segid " " and resid 36 and name HA )) 5.000 3.200 1.000 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.34682E-03 ppm1 7.518 ppm2 4.508 CV 1 ASSI { 1903} (( segid " " and resid 35 and name H )) (( segid " " and resid 35 and name HA )) 2.700 0.900 0.900 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.29136E-02 ppm1 7.516 ppm2 4.331 CV 1 ASSI { 1906} (( segid " " and resid 34 and name H )) (( segid " " and resid 33 and name HA )) 3.300 1.400 1.400 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 7.626 ppm2 3.553 CV 1 ASSI { 1907} (( segid " " and resid 34 and name H )) (( segid " " and resid 32 and name HA )) 3.700 1.700 1.700 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 7.627 ppm2 3.240 CV 1 ASSI { 1908} (( segid " " and resid 35 and name H )) (( segid " " and resid 33 and name HA )) 3.900 1.900 1.900 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.50115E-03 ppm1 7.520 ppm2 3.552 CV 1 ASSI { 1909} (( segid " " and resid 35 and name H )) (( segid " " and resid 32 and name HA )) 3.700 1.700 1.700 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.66123E-03 ppm1 7.519 ppm2 3.230 CV 1 ASSI { 1912} (( segid " " and resid 2 and name H )) (( segid " " and resid 1 and name HG3 )) 4.100 2.100 1.900 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.80414E-03 ppm1 7.976 ppm2 2.530 CV 1 ASSI { 1913} (( segid " " and resid 2 and name H )) (( segid " " and resid 1 and name HG2 )) 2.600 2.600 3.400 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.84417E-03 ppm1 7.974 ppm2 2.468 CV 1 ASSI { 1914} (( segid " " and resid 2 and name H )) (( segid " " and resid 2 and name HB )) 2.900 1.000 1.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.92744E-02 ppm1 7.974 ppm2 2.059 CV 1 ASSI { 1915} (( segid " " and resid 35 and name H )) (( segid " " and resid 35 and name HG2 )) 1.900 0.500 0.500 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.48934E-02 ppm1 7.517 ppm2 1.670 CV 1 ASSI { 1916} (( segid " " and resid 35 and name H )) (( segid " " and resid 34 and name HG3 )) 4.500 2.600 1.500 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.57928E-03 ppm1 7.514 ppm2 2.436 CV 1 ASSI { 1919} (( segid " " and resid 35 and name H )) (( segid " " and resid 35 and name HB2 )) 3.300 1.400 1.400 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.25820E-02 ppm1 7.516 ppm2 1.882 CV 1 ASSI { 1920} (( segid " " and resid 35 and name H )) (( segid " " and resid 36 and name HG13)) 4.600 2.600 1.400 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 7.515 ppm2 1.480 CV 1 ASSI { 1922} (( segid " " and resid 34 and name H )) (( segid " " and resid 34 and name HB3 )) 2.600 0.800 0.800 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.39065E-02 ppm1 7.627 ppm2 2.032 CV 1 ASSI { 1923} (( segid " " and resid 34 and name H )) (( segid " " and resid 34 and name HB2 )) 2.700 0.900 0.900 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.36302E-02 ppm1 7.627 ppm2 1.947 CV 1 ASSI { 1924} (( segid " " and resid 34 and name H )) (( segid " " and resid 33 and name HB3 )) 3.100 1.200 1.200 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.26849E-02 ppm1 7.627 ppm2 1.697 CV 1 ASSI { 1925} (( segid " " and resid 34 and name H )) (( segid " " and resid 36 and name HG13)) 5.200 3.300 0.800 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.42112E-03 ppm1 7.623 ppm2 1.476 CV 1 ASSI { 1927} (( segid " " and resid 34 and name H )) (( segid " " and resid 33 and name HG3 )) 3.900 1.900 1.900 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.66694E-03 ppm1 7.628 ppm2 1.140 CV 1 OR { 1927} (( segid " " and resid 34 and name H )) (( segid " " and resid 33 and name HG2 )) ASSI { 1928} (( segid " " and resid 35 and name H )) ( segid " " and resid 39 and name HB% ) 5.300 3.500 0.700 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.33348E-03 ppm1 7.520 ppm2 1.107 CV 1 ASSI { 1929} (( segid " " and resid 35 and name H )) (( segid " " and resid 36 and name HG12)) 5.900 4.400 0.100 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.48591E-03 ppm1 7.517 ppm2 0.887 CV 1 ASSI { 1930} (( segid " " and resid 35 and name H )) ( segid " " and resid 32 and name HG2%) 5.100 3.200 0.900 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.44019E-03 ppm1 7.518 ppm2 0.732 CV 1 ASSI { 1931} (( segid " " and resid 35 and name H )) ( segid " " and resid 36 and name HD1%) 5.700 4.100 0.300 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 7.517 ppm2 0.670 CV 1 ASSI { 1933} (( segid " " and resid 34 and name H )) ( segid " " and resid 32 and name HD1%) 5.800 4.100 0.200 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.33919E-03 ppm1 7.628 ppm2 0.110 CV 1 ASSI { 1934} (( segid " " and resid 34 and name H )) ( segid " " and resid 32 and name HG2%) 4.800 2.800 1.200 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.66694E-03 ppm1 7.626 ppm2 0.735 CV 1 ASSI { 1936} (( segid " " and resid 34 and name H )) (( segid " " and resid 32 and name H )) 4.400 2.400 1.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.29916E-03 ppm1 7.626 ppm2 8.090 CV 1 ASSI { 1940} (( segid " " and resid 32 and name H )) (( segid " " and resid 29 and name HA )) 4.000 2.000 2.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.99280E-03 ppm1 8.089 ppm2 3.921 CV 1 ASSI { 1942} (( segid " " and resid 33 and name H )) (( segid " " and resid 32 and name HA )) 3.500 1.500 1.500 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.94135E-03 ppm1 7.450 ppm2 3.236 CV 1 ASSI { 1943} (( segid " " and resid 32 and name H )) (( segid " " and resid 32 and name HA )) 3.000 1.100 1.100 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 8.089 ppm2 3.228 CV 1 ASSI { 1944} (( segid " " and resid 33 and name H )) (( segid " " and resid 33 and name HD2 )) 4.700 2.800 1.300 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.59264E-03 ppm1 7.450 ppm2 3.026 CV 1 OR { 1944} (( segid " " and resid 33 and name H )) (( segid " " and resid 33 and name HD3 )) ASSI { 1945} (( segid " " and resid 33 and name H )) (( segid " " and resid 34 and name HB2 )) 4.300 2.300 1.700 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.95468E-03 ppm1 7.452 ppm2 1.949 CV 1 ASSI { 1946} (( segid " " and resid 33 and name H )) (( segid " " and resid 33 and name HB2 )) 2.600 0.900 0.900 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.33633E-02 ppm1 7.450 ppm2 1.710 CV 1 OR { 1946} (( segid " " and resid 33 and name H )) (( segid " " and resid 33 and name HB3 )) ASSI { 1948} (( segid " " and resid 32 and name H )) (( segid " " and resid 32 and name HB )) 2.800 1.000 1.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 8.090 ppm2 1.574 CV 1 ASSI { 1950} (( segid " " and resid 32 and name H )) (( segid " " and resid 31 and name HB2 )) 2.600 0.900 0.900 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.15569E-02 ppm1 8.089 ppm2 1.969 CV 1 ASSI { 1951} (( segid " " and resid 33 and name H )) (( segid " " and resid 33 and name HG3 )) 3.100 1.200 1.200 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 7.448 ppm2 1.143 CV 1 OR { 1951} (( segid " " and resid 33 and name H )) (( segid " " and resid 33 and name HG2 )) ASSI { 1952} (( segid " " and resid 33 and name H )) (( segid " " and resid 32 and name HG12)) 4.300 2.300 1.700 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 7.447 ppm2 0.993 CV 1 OR { 1952} (( segid " " and resid 33 and name H )) (( segid " " and resid 32 and name HG13)) ASSI { 1954} (( segid " " and resid 33 and name H )) ( segid " " and resid 40 and name HD1%) 5.000 3.100 1.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.31632E-03 ppm1 7.451 ppm2 0.853 CV 1 ASSI { 1958} (( segid " " and resid 30 and name HE )) (( segid " " and resid 27 and name HA )) 3.800 1.800 1.800 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.11071E-02 ppm1 7.349 ppm2 4.631 CV 1 ASSI { 1959} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HA )) 5.100 3.300 0.900 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.52211E-03 ppm1 7.348 ppm2 3.806 CV 1 ASSI { 1960} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HD3 )) 2.900 1.100 1.100 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.21914E-02 ppm1 7.348 ppm2 3.230 CV 1 ASSI { 1961} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HD2 )) 2.800 1.000 1.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.28050E-02 ppm1 7.348 ppm2 3.152 CV 1 ASSI { 1962} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HB2 )) 3.400 1.400 1.400 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.11395E-02 ppm1 7.348 ppm2 2.108 CV 1 ASSI { 1963} (( segid " " and resid 30 and name HE )) (( segid " " and resid 27 and name HB3 )) 3.800 1.800 1.800 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.54499E-03 ppm1 7.349 ppm2 2.606 CV 1 ASSI { 1964} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HG3 )) 3.200 1.300 1.300 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 7.349 ppm2 1.658 CV 1 ASSI { 1965} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HG2 )) 3.300 1.400 1.400 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 7.349 ppm2 1.472 CV 1 ASSI { 1966} (( segid " " and resid 30 and name HE )) (( segid " " and resid 30 and name HB3 )) 3.600 1.600 1.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.10233E-02 ppm1 7.349 ppm2 1.861 CV 1 ASSI { 1967} (( segid " " and resid 30 and name H )) (( segid " " and resid 28 and name H )) 4.000 2.000 2.000 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.45544E-03 ppm1 7.177 ppm2 8.611 CV 1 ASSI { 1968} (( segid " " and resid 30 and name H )) (( segid " " and resid 31 and name H )) 2.700 0.900 0.900 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.19951E-02 ppm1 7.178 ppm2 8.328 CV 1 ASSI { 1969} (( segid " " and resid 30 and name H )) (( segid " " and resid 29 and name H )) 2.900 1.000 1.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.18427E-02 ppm1 7.177 ppm2 8.213 CV 1 ASSI { 1970} (( segid " " and resid 30 and name H )) (( segid " " and resid 32 and name H )) 4.300 2.300 1.700 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 7.178 ppm2 8.088 CV 1 ASSI { 1971} (( segid " " and resid 30 and name H )) (( segid " " and resid 27 and name H )) 4.300 2.400 1.700 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 7.176 ppm2 6.717 CV 1 ASSI { 1972} (( segid " " and resid 30 and name H )) ( segid " " and resid 81 and name HE% ) 5.000 3.200 1.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.41541E-03 ppm1 7.178 ppm2 6.308 CV 1 ASSI { 1973} (( segid " " and resid 30 and name H )) (( segid " " and resid 30 and name HE )) 5.600 3.900 0.400 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.28012E-03 ppm1 7.179 ppm2 7.354 CV 1 ASSI { 1974} (( segid " " and resid 30 and name H )) (( segid " " and resid 27 and name HA )) 3.200 1.300 1.300 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.18789E-02 ppm1 7.177 ppm2 4.631 CV 1 ASSI { 1975} (( segid " " and resid 30 and name H )) (( segid " " and resid 26 and name HA )) 3.700 1.700 1.700 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.60786E-03 ppm1 7.176 ppm2 4.374 CV 1 ASSI { 1976} (( segid " " and resid 30 and name H )) (( segid " " and resid 28 and name HA )) 4.000 2.000 2.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 7.183 ppm2 4.236 CV 1 ASSI { 1977} (( segid " " and resid 30 and name H )) (( segid " " and resid 29 and name HA )) 3.300 1.300 1.300 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 7.176 ppm2 3.922 CV 1 ASSI { 1979} (( segid " " and resid 30 and name H )) (( segid " " and resid 29 and name HB3 )) 2.900 1.100 1.100 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.23553E-02 ppm1 7.178 ppm2 3.215 CV 1 ASSI { 1980} (( segid " " and resid 30 and name H )) (( segid " " and resid 29 and name HB2 )) 3.600 1.600 1.600 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.15149E-02 ppm1 7.178 ppm2 2.973 CV 1 ASSI { 1981} (( segid " " and resid 30 and name H )) (( segid " " and resid 30 and name HB2 )) 3.600 1.600 1.600 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.31100E-02 ppm1 7.178 ppm2 2.107 CV 1 ASSI { 1982} (( segid " " and resid 30 and name H )) (( segid " " and resid 31 and name HB2 )) 4.800 2.900 1.200 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 7.177 ppm2 1.988 CV 1 ASSI { 1983} (( segid " " and resid 30 and name H )) (( segid " " and resid 30 and name HB3 )) 2.600 0.800 0.800 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.30412E-02 ppm1 7.178 ppm2 1.860 CV 1 ASSI { 1984} (( segid " " and resid 30 and name H )) (( segid " " and resid 30 and name HG3 )) 3.800 1.800 1.800 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 7.178 ppm2 1.663 CV 1 ASSI { 1985} (( segid " " and resid 30 and name H )) (( segid " " and resid 30 and name HG2 )) 3.100 1.200 1.200 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 7.178 ppm2 1.474 CV 1 ASSI { 1986} (( segid " " and resid 30 and name H )) (( segid " " and resid 31 and name HB3 )) 5.900 4.400 0.100 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.49927E-03 ppm1 7.179 ppm2 2.326 CV 1 ASSI { 1988} (( segid " " and resid 30 and name H )) ( segid " " and resid 23 and name HG2%) 5.300 3.500 0.700 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.31632E-03 ppm1 7.178 ppm2 1.366 CV 1 ASSI { 1989} (( segid " " and resid 30 and name H )) ( segid " " and resid 28 and name HB% ) 4.400 2.400 1.600 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.74127E-03 ppm1 7.179 ppm2 1.009 CV 1 ASSI { 1990} (( segid " " and resid 29 and name H )) (( segid " " and resid 28 and name H )) 2.900 1.000 1.000 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.18141E-02 ppm1 8.212 ppm2 8.610 CV 1 ASSI { 1992} (( segid " " and resid 28 and name H )) ( segid " " and resid 19 and name HD% ) 4.400 2.400 1.600 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.71077E-03 ppm1 8.609 ppm2 7.069 CV 1 ASSI { 1993} (( segid " " and resid 28 and name H )) (( segid " " and resid 27 and name H )) 2.600 0.900 0.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.25497E-02 ppm1 8.610 ppm2 6.717 CV 1 ASSI { 1995} (( segid " " and resid 29 and name H )) ( segid " " and resid 26 and name HD% ) 2.900 2.900 3.100 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.42494E-03 ppm1 8.213 ppm2 7.065 CV 1 ASSI { 1996} (( segid " " and resid 29 and name H )) ( segid " " and resid 81 and name HD% ) 5.300 3.500 0.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 8.212 ppm2 6.800 CV 1 ASSI { 1998} (( segid " " and resid 29 and name H )) ( segid " " and resid 81 and name HE% ) 4.800 2.800 1.200 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.55452E-03 ppm1 8.214 ppm2 6.309 CV 1 ASSI { 1999} (( segid " " and resid 28 and name H )) (( segid " " and resid 27 and name HA )) 3.500 1.600 1.600 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.10042E-02 ppm1 8.611 ppm2 4.632 CV 1 ASSI { 2000} (( segid " " and resid 28 and name H )) (( segid " " and resid 26 and name HA )) 4.100 2.100 1.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.52974E-03 ppm1 8.610 ppm2 4.376 CV 1 ASSI { 2001} (( segid " " and resid 28 and name H )) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.000 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.16731E-02 ppm1 8.611 ppm2 4.238 CV 1 ASSI { 2002} (( segid " " and resid 29 and name H )) (( segid " " and resid 27 and name HA )) 4.300 2.300 1.700 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.44210E-03 ppm1 8.210 ppm2 4.626 CV 1 ASSI { 2003} (( segid " " and resid 29 and name H )) (( segid " " and resid 26 and name HA )) 3.300 1.400 1.400 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.11262E-02 ppm1 8.211 ppm2 4.376 CV 1 ASSI { 2004} (( segid " " and resid 29 and name H )) (( segid " " and resid 28 and name HA )) 3.400 1.500 1.500 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 8.213 ppm2 4.238 CV 1 ASSI { 2005} (( segid " " and resid 29 and name H )) (( segid " " and resid 29 and name HA )) 2.800 1.000 1.000 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.21095E-02 ppm1 8.212 ppm2 3.928 CV 1 ASSI { 2006} (( segid " " and resid 29 and name H )) (( segid " " and resid 30 and name HA )) 5.200 3.400 0.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.32966E-03 ppm1 8.213 ppm2 3.806 CV 1 ASSI { 2008} (( segid " " and resid 28 and name H )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.12615E-02 ppm1 8.610 ppm2 3.284 CV 1 ASSI { 2009} (( segid " " and resid 28 and name H )) (( segid " " and resid 29 and name HB3 )) 5.000 3.100 1.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.51260E-03 ppm1 8.612 ppm2 3.201 CV 1 ASSI { 2010} (( segid " " and resid 29 and name H )) (( segid " " and resid 29 and name HB3 )) 3.000 1.100 1.100 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.26412E-02 ppm1 8.212 ppm2 3.212 CV 1 ASSI { 2011} (( segid " " and resid 29 and name H )) (( segid " " and resid 25 and name HA )) 3.500 1.600 1.600 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.95088E-03 ppm1 8.216 ppm2 3.279 CV 1 ASSI { 2012} (( segid " " and resid 28 and name H )) (( segid " " and resid 29 and name HB2 )) 5.500 3.800 0.500 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.24010E-03 ppm1 8.612 ppm2 2.962 CV 1 ASSI { 2013} (( segid " " and resid 29 and name H )) (( segid " " and resid 29 and name HB2 )) 2.900 1.000 1.000 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.19246E-02 ppm1 8.212 ppm2 2.973 CV 1 ASSI { 2014} (( segid " " and resid 28 and name H )) (( segid " " and resid 27 and name HB3 )) 2.700 0.900 0.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.29536E-02 ppm1 8.610 ppm2 2.605 CV 1 ASSI { 2015} (( segid " " and resid 28 and name H )) (( segid " " and resid 31 and name HG2 )) 5.600 4.000 0.400 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.41352E-03 ppm1 8.607 ppm2 2.736 CV 1 ASSI { 2018} (( segid " " and resid 28 and name H )) (( segid " " and resid 24 and name HB3 )) 4.100 2.100 1.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.66885E-03 ppm1 8.614 ppm2 1.724 CV 1 ASSI { 2021} (( segid " " and resid 28 and name H )) ( segid " " and resid 68 and name HD1%) 4.900 2.900 1.100 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.51449E-03 ppm1 8.609 ppm2 0.307 CV 1 OR { 2021} (( segid " " and resid 28 and name H )) ( segid " " and resid 68 and name HD2%) ASSI { 2023} (( segid " " and resid 29 and name H )) ( segid " " and resid 49 and name HD2%) 4.400 2.500 1.600 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.35633E-03 ppm1 8.211 ppm2 0.865 CV 1 ASSI { 2024} (( segid " " and resid 29 and name H )) ( segid " " and resid 49 and name HD1%) 2.900 1.000 1.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.20218E-02 ppm1 8.212 ppm2 0.745 CV 1 ASSI { 2025} (( segid " " and resid 29 and name H )) ( segid " " and resid 68 and name HD2%) 5.300 3.500 0.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.38302E-03 ppm1 8.214 ppm2 0.309 CV 1 ASSI { 2026} (( segid " " and resid 27 and name H )) (( segid " " and resid 25 and name H )) 4.500 2.500 1.500 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.27820E-03 ppm1 6.720 ppm2 9.470 CV 1 ASSI { 2030} (( segid " " and resid 27 and name H )) (( segid " " and resid 29 and name H )) 4.300 2.300 1.700 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.46686E-03 ppm1 6.718 ppm2 8.213 CV 1 ASSI { 2031} (( segid " " and resid 26 and name H )) (( segid " " and resid 25 and name H )) 3.200 1.300 1.300 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 8.702 ppm2 9.461 CV 1 ASSI { 2032} (( segid " " and resid 26 and name H )) (( segid " " and resid 64 and name H )) 5.100 3.200 0.900 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.54881E-03 ppm1 8.701 ppm2 8.423 CV 1 ASSI { 2033} (( segid " " and resid 26 and name H )) (( segid " " and resid 29 and name H )) 4.500 2.500 1.500 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.33348E-03 ppm1 8.698 ppm2 8.226 CV 1 ASSI { 2034} (( segid " " and resid 27 and name H )) ( segid " " and resid 26 and name HD% ) 3.100 1.200 1.200 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 6.716 ppm2 7.066 CV 1 ASSI { 2036} (( segid " " and resid 26 and name H )) (( segid " " and resid 27 and name H )) 3.000 1.100 1.100 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 8.701 ppm2 6.717 CV 1 ASSI { 2038} (( segid " " and resid 27 and name H )) (( segid " " and resid 26 and name HA )) 3.500 1.500 1.500 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.10309E-02 ppm1 6.717 ppm2 4.374 CV 1 ASSI { 2039} (( segid " " and resid 27 and name H )) (( segid " " and resid 28 and name HA )) 5.300 3.500 0.700 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.31441E-03 ppm1 6.712 ppm2 4.232 CV 1 ASSI { 2040} (( segid " " and resid 26 and name H )) (( segid " " and resid 27 and name HA )) 5.500 3.700 0.500 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.30490E-03 ppm1 8.701 ppm2 4.635 CV 1 ASSI { 2041} (( segid " " and resid 26 and name H )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.28945E-02 ppm1 8.702 ppm2 4.376 CV 1 ASSI { 2042} (( segid " " and resid 26 and name H )) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.23038E-02 ppm1 8.702 ppm2 3.916 CV 1 ASSI { 2045} (( segid " " and resid 27 and name H )) (( segid " " and resid 25 and name HA )) 3.900 1.900 1.900 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.55643E-03 ppm1 6.715 ppm2 3.272 CV 1 ASSI { 2046} (( segid " " and resid 27 and name H )) (( segid " " and resid 26 and name HB3 )) 4.000 2.000 2.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.99471E-03 ppm1 6.717 ppm2 3.188 CV 1 ASSI { 2047} (( segid " " and resid 26 and name H )) (( segid " " and resid 26 and name HB2 )) 3.600 1.600 1.600 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.24696E-02 ppm1 8.702 ppm2 2.803 CV 1 ASSI { 2048} (( segid " " and resid 26 and name H )) (( segid " " and resid 24 and name HG2 )) 3.200 1.300 1.300 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.11853E-02 ppm1 8.704 ppm2 2.603 CV 1 ASSI { 2049} (( segid " " and resid 27 and name H )) (( segid " " and resid 26 and name HB2 )) 3.800 1.800 1.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.93755E-03 ppm1 6.719 ppm2 2.810 CV 1 ASSI { 2050} (( segid " " and resid 27 and name H )) (( segid " " and resid 24 and name HG3 )) 2.600 2.600 3.400 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.74127E-03 ppm1 6.717 ppm2 2.732 CV 1 ASSI { 2051} (( segid " " and resid 27 and name H )) (( segid " " and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.47562E-02 ppm1 6.718 ppm2 2.602 CV 1 OR { 2051} (( segid " " and resid 27 and name H )) (( segid " " and resid 27 and name HB3 )) ASSI { 2054} (( segid " " and resid 27 and name H )) (( segid " " and resid 24 and name HB3 )) 2.800 1.000 1.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.17588E-02 ppm1 6.718 ppm2 1.726 CV 1 ASSI { 2057} (( segid " " and resid 27 and name H )) ( segid " " and resid 28 and name HB% ) 4.300 2.300 1.700 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 6.719 ppm2 1.005 CV 1 ASSI { 2058} (( segid " " and resid 26 and name H )) (( segid " " and resid 24 and name HB3 )) 2.900 1.000 1.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.14158E-02 ppm1 8.702 ppm2 1.727 CV 1 ASSI { 2066} (( segid " " and resid 25 and name H )) (( segid " " and resid 68 and name H )) 4.700 2.700 1.300 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.32203E-03 ppm1 9.460 ppm2 8.353 CV 1 ASSI { 2069} (( segid " " and resid 25 and name H )) ( segid " " and resid 26 and name HD% ) 5.400 3.600 0.600 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.25344E-03 ppm1 9.454 ppm2 7.073 CV 1 ASSI { 2070} (( segid " " and resid 24 and name H )) (( segid " " and resid 27 and name H )) 4.400 2.400 1.600 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 9.134 ppm2 6.716 CV 1 ASSI { 2072} (( segid " " and resid 25 and name H )) (( segid " " and resid 24 and name HA )) 2.900 1.100 1.100 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.52403E-03 ppm1 9.465 ppm2 4.719 CV 1 ASSI { 2073} (( segid " " and resid 25 and name H )) (( segid " " and resid 26 and name HA )) 5.200 3.400 0.800 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.33919E-03 ppm1 9.462 ppm2 4.377 CV 1 ASSI { 2077} (( segid " " and resid 25 and name H )) (( segid " " and resid 26 and name HB3 )) 5.400 3.600 0.600 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.28965E-03 ppm1 9.459 ppm2 3.180 CV 1 ASSI { 2079} (( segid " " and resid 25 and name H )) (( segid " " and resid 24 and name HG2 )) 3.900 1.900 1.900 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.47448E-03 ppm1 9.459 ppm2 2.600 CV 1 ASSI { 2081} (( segid " " and resid 24 and name H )) (( segid " " and resid 27 and name HB3 )) 3.700 1.700 1.700 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.23496E-02 ppm1 9.136 ppm2 2.602 CV 1 OR { 2081} (( segid " " and resid 24 and name H )) (( segid " " and resid 27 and name HB2 )) ASSI { 2083} (( segid " " and resid 25 and name H )) (( segid " " and resid 24 and name HB3 )) 3.900 1.900 1.900 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.91276E-03 ppm1 9.460 ppm2 1.727 CV 1 OR { 2083} (( segid " " and resid 25 and name H )) (( segid " " and resid 24 and name HB2 )) ASSI { 2087} (( segid " " and resid 24 and name H )) (( segid " " and resid 24 and name HB2 )) 3.100 1.200 1.200 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.19208E-02 ppm1 9.137 ppm2 1.727 CV 1 OR { 2087} (( segid " " and resid 24 and name H )) (( segid " " and resid 24 and name HB3 )) ASSI { 2091} (( segid " " and resid 23 and name H )) (( segid " " and resid 24 and name H )) 2.900 1.000 1.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.68981E-03 ppm1 7.709 ppm2 9.142 CV 1 ASSI { 2093} (( segid " " and resid 23 and name H )) (( segid " " and resid 22 and name H )) 2.800 1.000 1.000 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.20694E-02 ppm1 7.709 ppm2 7.377 CV 1 ASSI { 2096} (( segid " " and resid 23 and name H )) (( segid " " and resid 67 and name HA )) 5.500 3.800 0.500 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.48402E-03 ppm1 7.709 ppm2 4.849 CV 1 ASSI { 2097} (( segid " " and resid 23 and name H )) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 7.709 ppm2 4.313 CV 1 ASSI { 2098} (( segid " " and resid 22 and name H )) (( segid " " and resid 20 and name HA )) 4.200 2.200 1.800 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.55070E-03 ppm1 7.377 ppm2 4.667 CV 1 ASSI { 2101} (( segid " " and resid 22 and name H )) (( segid " " and resid 21 and name HD2 )) 3.200 1.300 1.300 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.11586E-02 ppm1 7.375 ppm2 3.892 CV 1 ASSI { 2102} (( segid " " and resid 22 and name H )) (( segid " " and resid 22 and name HB2 )) 3.200 1.300 1.300 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.20694E-02 ppm1 7.377 ppm2 3.800 CV 1 ASSI { 2103} (( segid " " and resid 23 and name H )) (( segid " " and resid 21 and name HA )) 3.700 1.700 1.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.65743E-03 ppm1 7.705 ppm2 4.099 CV 1 ASSI { 2104} (( segid " " and resid 23 and name H )) (( segid " " and resid 22 and name HB3 )) 4.700 2.700 1.300 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.49544E-03 ppm1 7.710 ppm2 4.037 CV 1 ASSI { 2105} (( segid " " and resid 23 and name H )) (( segid " " and resid 23 and name HB )) 2.400 0.700 0.700 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.41161E-02 ppm1 7.709 ppm2 3.915 CV 1 OR { 2105} (( segid " " and resid 23 and name H )) (( segid " " and resid 23 and name HA )) ASSI { 2107} (( segid " " and resid 22 and name H )) (( segid " " and resid 21 and name HA )) 3.500 1.500 1.500 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.80414E-03 ppm1 7.380 ppm2 4.096 CV 1 ASSI { 2108} (( segid " " and resid 23 and name H )) (( segid " " and resid 19 and name HB3 )) 4.800 2.900 1.200 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.25916E-03 ppm1 7.715 ppm2 2.930 CV 1 ASSI { 2109} (( segid " " and resid 22 and name H )) (( segid " " and resid 69 and name HB2 )) 5.400 3.600 0.600 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.21342E-03 ppm1 7.379 ppm2 2.779 CV 1 ASSI { 2113} (( segid " " and resid 23 and name H )) (( segid " " and resid 20 and name HB2 )) 3.500 1.600 1.600 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.88800E-03 ppm1 7.709 ppm2 1.903 CV 1 ASSI { 2114} (( segid " " and resid 23 and name H )) (( segid " " and resid 68 and name HG )) 4.500 2.500 1.500 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.44210E-03 ppm1 7.713 ppm2 1.656 CV 1 ASSI { 2117} (( segid " " and resid 22 and name H )) ( segid " " and resid 4 and name HD2%) 5.300 3.500 0.700 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.28965E-03 ppm1 7.380 ppm2 0.700 CV 1 ASSI { 2118} (( segid " " and resid 23 and name H )) ( segid " " and resid 4 and name HD2%) 4.700 2.700 1.300 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.38302E-03 ppm1 7.713 ppm2 0.704 CV 1 ASSI { 2119} (( segid " " and resid 22 and name H )) ( segid " " and resid 68 and name HD1%) 5.200 3.300 0.800 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.24772E-03 ppm1 7.372 ppm2 0.318 CV 1 ASSI { 2120} (( segid " " and resid 23 and name H )) ( segid " " and resid 68 and name HD1%) 3.800 1.800 1.800 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.12462E-02 ppm1 7.709 ppm2 0.322 CV 1 OR { 2120} (( segid " " and resid 23 and name H )) ( segid " " and resid 68 and name HD2%) ASSI { 2121} (( segid " " and resid 20 and name H )) (( segid " " and resid 19 and name H )) 4.600 2.700 1.400 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 9.209 ppm2 8.830 CV 1 ASSI { 2123} (( segid " " and resid 19 and name H )) (( segid " " and resid 18 and name H )) 4.800 2.900 1.200 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.47640E-03 ppm1 8.830 ppm2 7.663 CV 1 ASSI { 2124} (( segid " " and resid 20 and name H )) (( segid " " and resid 23 and name H )) 4.800 2.900 1.200 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.36586E-03 ppm1 9.209 ppm2 7.712 CV 1 ASSI { 2127} (( segid " " and resid 18 and name H )) (( segid " " and resid 18 and name HE22)) 5.300 3.500 0.700 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 7.663 ppm2 6.679 CV 1 ASSI { 2129} (( segid " " and resid 19 and name H )) (( segid " " and resid 19 and name HA )) 3.100 1.200 1.200 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.14863E-02 ppm1 8.829 ppm2 4.863 CV 1 ASSI { 2131} (( segid " " and resid 20 and name H )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 9.208 ppm2 4.658 CV 1 ASSI { 2132} (( segid " " and resid 19 and name H )) (( segid " " and resid 3 and name HA )) 4.200 2.200 1.800 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 8.832 ppm2 4.274 CV 1 ASSI { 2133} (( segid " " and resid 20 and name H )) (( segid " " and resid 3 and name HA )) 4.800 2.900 1.200 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 9.209 ppm2 4.274 CV 1 ASSI { 2134} (( segid " " and resid 20 and name H )) (( segid " " and resid 23 and name HB )) 3.400 1.400 1.400 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.66314E-03 ppm1 9.208 ppm2 3.907 CV 1 ASSI { 2135} (( segid " " and resid 20 and name H )) (( segid " " and resid 21 and name HD3 )) 5.100 3.300 0.900 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.57168E-03 ppm1 9.207 ppm2 3.807 CV 1 ASSI { 2136} (( segid " " and resid 19 and name H )) (( segid " " and resid 19 and name HB3 )) 4.300 2.300 1.700 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.80034E-03 ppm1 8.830 ppm2 2.940 CV 1 ASSI { 2137} (( segid " " and resid 19 and name H )) (( segid " " and resid 19 and name HB2 )) 3.100 1.200 1.200 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 8.829 ppm2 2.293 CV 1 ASSI { 2138} (( segid " " and resid 20 and name H )) (( segid " " and resid 19 and name HB3 )) 3.100 1.200 1.200 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 9.209 ppm2 2.937 CV 1 ASSI { 2141} (( segid " " and resid 20 and name H )) (( segid " " and resid 20 and name HB2 )) 2.700 0.900 0.900 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.19627E-02 ppm1 9.209 ppm2 1.892 CV 1 ASSI { 2142} (( segid " " and resid 20 and name H )) ( segid " " and resid 23 and name HG2%) 4.000 2.000 2.000 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.51831E-03 ppm1 9.207 ppm2 1.365 CV 1 ASSI { 2144} (( segid " " and resid 19 and name H )) (( segid " " and resid 18 and name HG3 )) 4.000 2.000 2.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.14997E-02 ppm1 8.830 ppm2 2.024 CV 1 ASSI { 2145} (( segid " " and resid 19 and name H )) (( segid " " and resid 4 and name HB2 )) 2.900 1.000 1.000 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.15016E-02 ppm1 8.830 ppm2 1.580 CV 1 ASSI { 2146} (( segid " " and resid 19 and name H )) (( segid " " and resid 18 and name HB3 )) 3.100 1.200 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.13358E-02 ppm1 8.829 ppm2 1.450 CV 1 ASSI { 2147} (( segid " " and resid 19 and name H )) (( segid " " and resid 4 and name HB3 )) 4.500 2.500 1.500 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.39445E-03 ppm1 8.833 ppm2 1.292 CV 1 ASSI { 2149} (( segid " " and resid 19 and name H )) ( segid " " and resid 6 and name HD1%) 4.100 2.100 1.900 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.73935E-03 ppm1 8.827 ppm2 0.706 CV 1 ASSI { 2150} (( segid " " and resid 19 and name H )) ( segid " " and resid 68 and name HD1%) 5.100 3.300 0.900 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.42686E-03 ppm1 8.826 ppm2 0.319 CV 1 ASSI { 2151} (( segid " " and resid 20 and name H )) ( segid " " and resid 6 and name HD1%) 5.500 3.700 0.500 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 9.209 ppm2 0.716 CV 1 ASSI { 2152} (( segid " " and resid 20 and name H )) ( segid " " and resid 68 and name HD1%) 4.400 2.400 1.600 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.76985E-03 ppm1 9.209 ppm2 0.325 CV 1 ASSI { 2154} (( segid " " and resid 16 and name H )) (( segid " " and resid 8 and name H )) 4.600 2.600 1.400 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.35444E-03 ppm1 8.581 ppm2 9.025 CV 1 ASSI { 2155} (( segid " " and resid 16 and name H )) (( segid " " and resid 15 and name H )) 4.100 2.100 1.900 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 8.581 ppm2 8.897 CV 1 ASSI { 2156} (( segid " " and resid 17 and name H )) (( segid " " and resid 8 and name H )) 4.000 2.000 2.000 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.61931E-03 ppm1 9.134 ppm2 9.034 CV 1 ASSI { 2157} (( segid " " and resid 17 and name H )) (( segid " " and resid 6 and name H )) 3.400 1.500 1.500 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.74318E-03 ppm1 9.133 ppm2 8.883 CV 1 ASSI { 2158} (( segid " " and resid 17 and name H )) (( segid " " and resid 7 and name H )) 3.200 3.200 2.800 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.24391E-03 ppm1 9.136 ppm2 8.681 CV 1 ASSI { 2159} (( segid " " and resid 17 and name H )) (( segid " " and resid 16 and name H )) 4.800 2.800 1.200 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.47640E-03 ppm1 9.132 ppm2 8.579 CV 1 ASSI { 2161} (( segid " " and resid 17 and name H )) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.42132E-02 ppm1 9.133 ppm2 4.958 CV 1 ASSI { 2164} (( segid " " and resid 16 and name H )) (( segid " " and resid 16 and name HA )) 2.900 1.000 1.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 8.581 ppm2 4.960 CV 1 ASSI { 2165} (( segid " " and resid 16 and name H )) (( segid " " and resid 15 and name HA )) 2.300 0.600 0.600 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.61797E-02 ppm1 8.581 ppm2 4.673 CV 1 ASSI { 2166} (( segid " " and resid 16 and name H )) (( segid " " and resid 7 and name HA )) 4.600 2.700 1.400 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.58310E-03 ppm1 8.583 ppm2 4.497 CV 1 ASSI { 2167} (( segid " " and resid 16 and name H )) (( segid " " and resid 16 and name HB )) 2.400 0.700 0.700 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.63931E-02 ppm1 8.581 ppm2 3.865 CV 1 ASSI { 2168} (( segid " " and resid 17 and name H )) (( segid " " and resid 16 and name HB )) 4.500 2.500 1.500 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.76222E-03 ppm1 9.133 ppm2 3.858 CV 1 ASSI { 2169} (( segid " " and resid 16 and name H )) (( segid " " and resid 17 and name HG3 )) 4.500 2.600 1.500 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.55452E-03 ppm1 8.582 ppm2 2.079 CV 1 ASSI { 2170} (( segid " " and resid 17 and name H )) (( segid " " and resid 17 and name HG3 )) 4.400 2.400 1.600 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.91085E-03 ppm1 9.135 ppm2 2.089 CV 1 ASSI { 2171} (( segid " " and resid 17 and name H )) (( segid " " and resid 17 and name HB2 )) 2.700 0.900 0.900 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.17131E-02 ppm1 9.133 ppm2 1.475 CV 1 ASSI { 2172} (( segid " " and resid 17 and name H )) (( segid " " and resid 6 and name HB2 )) 3.800 1.900 1.900 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.44970E-03 ppm1 9.134 ppm2 1.323 CV 1 ASSI { 2173} (( segid " " and resid 16 and name H )) (( segid " " and resid 15 and name HB3 )) 2.700 0.900 0.900 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.31345E-02 ppm1 8.581 ppm2 1.704 CV 1 ASSI { 2174} (( segid " " and resid 16 and name H )) (( segid " " and resid 15 and name HD2 )) 4.300 2.300 1.700 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.90514E-03 ppm1 8.581 ppm2 1.577 CV 1 ASSI { 2175} (( segid " " and resid 16 and name H )) (( segid " " and resid 15 and name HB2 )) 3.600 1.700 1.700 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.24525E-02 ppm1 8.581 ppm2 1.478 CV 1 ASSI { 2177} (( segid " " and resid 16 and name H )) (( segid " " and resid 15 and name HG3 )) 4.800 2.900 1.200 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 8.580 ppm2 1.247 CV 1 ASSI { 2179} (( segid " " and resid 17 and name H )) ( segid " " and resid 8 and name HD1%) 4.300 2.300 1.700 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.83844E-03 ppm1 9.133 ppm2 0.717 CV 1 ASSI { 2185} (( segid " " and resid 14 and name H )) (( segid " " and resid 15 and name H )) 3.900 1.900 1.900 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.96039E-03 ppm1 8.202 ppm2 8.891 CV 1 ASSI { 2186} (( segid " " and resid 14 and name H )) (( segid " " and resid 13 and name H )) 4.400 2.400 1.600 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 8.202 ppm2 8.086 CV 1 ASSI { 2187} (( segid " " and resid 14 and name H )) (( segid " " and resid 9 and name HA )) 4.700 2.700 1.300 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.56023E-03 ppm1 8.202 ppm2 5.295 CV 1 ASSI { 2189} (( segid " " and resid 15 and name H )) (( segid " " and resid 14 and name HA )) 2.400 0.700 0.700 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.33519E-02 ppm1 8.895 ppm2 4.995 CV 1 ASSI { 2192} (( segid " " and resid 10 and name H )) (( segid " " and resid 9 and name HA )) 2.400 0.700 0.700 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.33480E-02 ppm1 8.885 ppm2 5.294 CV 1 ASSI { 2194} (( segid " " and resid 10 and name H )) (( segid " " and resid 9 and name HB3 )) 4.300 2.300 1.700 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.76222E-03 ppm1 8.887 ppm2 3.663 CV 1 ASSI { 2195} (( segid " " and resid 14 and name H )) (( segid " " and resid 13 and name HB )) 4.300 2.300 1.700 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 8.203 ppm2 2.181 CV 1 ASSI { 2196} (( segid " " and resid 14 and name H )) (( segid " " and resid 14 and name HB )) 2.700 0.900 0.900 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.43065E-02 ppm1 8.203 ppm2 1.793 CV 1 ASSI { 2197} (( segid " " and resid 14 and name H )) (( segid " " and resid 15 and name HE2 )) 5.200 3.400 0.800 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.30299E-03 ppm1 8.208 ppm2 2.813 CV 1 OR { 2197} (( segid " " and resid 14 and name H )) (( segid " " and resid 15 and name HE3 )) ASSI { 2199} (( segid " " and resid 15 and name H )) (( segid " " and resid 8 and name HB )) 3.600 1.600 1.600 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.45161E-03 ppm1 8.889 ppm2 2.080 CV 1 ASSI { 2211} (( segid " " and resid 12 and name H )) (( segid " " and resid 12 and name HD21)) 4.600 2.600 1.400 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.31252E-03 ppm1 8.758 ppm2 7.499 CV 1 ASSI { 2213} (( segid " " and resid 12 and name H )) (( segid " " and resid 11 and name H )) 4.800 2.800 1.200 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.10309E-02 ppm1 8.759 ppm2 9.096 CV 1 ASSI { 2214} (( segid " " and resid 12 and name H )) (( segid " " and resid 12 and name HA )) 2.900 1.100 1.100 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.27058E-02 ppm1 8.759 ppm2 4.648 CV 1 ASSI { 2215} (( segid " " and resid 13 and name H )) (( segid " " and resid 14 and name HA )) 4.400 2.400 1.600 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.46306E-03 ppm1 8.075 ppm2 4.989 CV 1 ASSI { 2216} (( segid " " and resid 13 and name H )) (( segid " " and resid 9 and name HA )) 4.300 2.400 1.700 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 8.076 ppm2 5.294 CV 1 ASSI { 2217} (( segid " " and resid 12 and name H )) (( segid " " and resid 13 and name HA )) 5.400 3.600 0.600 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.40398E-03 ppm1 8.758 ppm2 4.215 CV 1 ASSI { 2218} (( segid " " and resid 12 and name H )) (( segid " " and resid 11 and name HA2 )) 3.700 1.700 1.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.31746E-02 ppm1 8.759 ppm2 3.957 CV 1 ASSI { 2219} (( segid " " and resid 12 and name H )) (( segid " " and resid 11 and name HA3 )) 2.500 0.800 0.800 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.27611E-02 ppm1 8.759 ppm2 3.673 CV 1 ASSI { 2220} (( segid " " and resid 12 and name H )) (( segid " " and resid 12 and name HB3 )) 3.000 1.100 1.100 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.26011E-02 ppm1 8.758 ppm2 2.842 CV 1 OR { 2220} (( segid " " and resid 12 and name H )) (( segid " " and resid 12 and name HB2 )) ASSI { 2221} (( segid " " and resid 12 and name H )) (( segid " " and resid 13 and name HB )) 4.900 2.900 1.100 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.58119E-03 ppm1 8.758 ppm2 2.184 CV 1 ASSI { 2223} (( segid " " and resid 12 and name H )) ( segid " " and resid 13 and name HG2%) 6.000 4.800 0.000 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.45924E-03 ppm1 8.757 ppm2 0.818 CV 1 ASSI { 2224} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name H )) 4.000 2.000 2.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.88418E-03 ppm1 9.098 ppm2 8.885 CV 1 ASSI { 2231} (( segid " " and resid 6 and name H )) ( segid " " and resid 19 and name HE% ) 4.100 2.100 1.900 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.45544E-03 ppm1 8.886 ppm2 7.125 CV 1 ASSI { 2232} (( segid " " and resid 6 and name H )) ( segid " " and resid 19 and name HD% ) 3.900 1.900 1.900 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.53736E-03 ppm1 8.884 ppm2 7.063 CV 1 ASSI { 2233} (( segid " " and resid 6 and name H )) (( segid " " and resid 6 and name HA )) 3.000 1.200 1.200 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 8.883 ppm2 4.969 CV 1 ASSI { 2234} (( segid " " and resid 6 and name H )) (( segid " " and resid 5 and name HA )) 2.300 0.700 0.700 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.34948E-02 ppm1 8.885 ppm2 4.890 CV 1 ASSI { 2235} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name HA )) 2.300 0.600 0.600 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.71460E-02 ppm1 9.098 ppm2 4.623 CV 1 ASSI { 2236} (( segid " " and resid 11 and name H )) (( segid " " and resid 11 and name HA2 )) 2.500 0.800 0.800 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.41523E-02 ppm1 9.098 ppm2 3.957 CV 1 ASSI { 2237} (( segid " " and resid 11 and name H )) (( segid " " and resid 11 and name HA3 )) 2.900 1.000 1.000 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.53852E-02 ppm1 9.098 ppm2 3.673 CV 1 ASSI { 2238} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name HB )) 4.100 2.100 1.900 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.11757E-02 ppm1 9.098 ppm2 1.820 CV 1 ASSI { 2239} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name HG13)) 4.900 2.900 1.100 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.88038E-03 ppm1 9.099 ppm2 1.583 CV 1 ASSI { 2240} (( segid " " and resid 6 and name H )) (( segid " " and resid 18 and name HG3 )) 4.300 2.300 1.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.81748E-03 ppm1 8.884 ppm2 2.029 CV 1 ASSI { 2241} (( segid " " and resid 6 and name H )) (( segid " " and resid 6 and name HB3 )) 3.900 1.900 1.900 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 8.884 ppm2 1.636 CV 1 ASSI { 2243} (( segid " " and resid 6 and name H )) (( segid " " and resid 6 and name HB2 )) 3.200 1.300 1.300 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.90896E-03 ppm1 8.885 ppm2 1.311 CV 1 ASSI { 2244} (( segid " " and resid 10 and name H )) (( segid " " and resid 10 and name HG12)) 4.800 2.800 1.200 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.39254E-03 ppm1 8.884 ppm2 1.195 CV 1 ASSI { 2246} (( segid " " and resid 11 and name H )) (( segid " " and resid 10 and name HG12)) 4.800 2.900 1.200 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.79463E-03 ppm1 9.098 ppm2 1.186 CV 1 ASSI { 2249} (( segid " " and resid 9 and name H )) (( segid " " and resid 81 and name H )) 4.300 2.300 1.700 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.60598E-03 ppm1 8.855 ppm2 8.546 CV 1 ASSI { 2252} (( segid " " and resid 8 and name H )) (( segid " " and resid 15 and name H )) 3.300 1.400 1.400 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.88227E-03 ppm1 9.023 ppm2 8.886 CV 1 ASSI { 2254} (( segid " " and resid 9 and name H )) (( segid " " and resid 9 and name HA )) 3.300 1.400 1.400 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.72602E-03 ppm1 8.854 ppm2 5.300 CV 1 ASSI { 2256} (( segid " " and resid 9 and name H )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.25268E-02 ppm1 8.852 ppm2 4.922 CV 1 ASSI { 2257} (( segid " " and resid 8 and name H )) (( segid " " and resid 9 and name HA )) 4.400 2.400 1.600 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 9.026 ppm2 5.314 CV 1 ASSI { 2258} (( segid " " and resid 8 and name H )) (( segid " " and resid 16 and name HA )) 3.100 1.200 1.200 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.18579E-02 ppm1 9.025 ppm2 4.950 CV 1 ASSI { 2259} (( segid " " and resid 8 and name H )) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.25554E-02 ppm1 9.024 ppm2 4.500 CV 1 ASSI { 2260} (( segid " " and resid 9 and name H )) (( segid " " and resid 9 and name HB3 )) 3.400 1.500 1.500 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.13015E-02 ppm1 8.854 ppm2 3.660 CV 1 ASSI { 2263} (( segid " " and resid 9 and name H )) (( segid " " and resid 8 and name HB )) 4.500 2.500 1.500 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.56594E-03 ppm1 8.852 ppm2 2.062 CV 1 ASSI { 2264} (( segid " " and resid 9 and name H )) (( segid " " and resid 80 and name HG2 )) 4.900 3.000 1.100 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.58690E-03 ppm1 8.854 ppm2 1.989 CV 1 ASSI { 2266} (( segid " " and resid 9 and name H )) (( segid " " and resid 79 and name HB2 )) 5.200 3.400 0.800 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.40207E-03 ppm1 8.853 ppm2 1.693 CV 1 ASSI { 2267} (( segid " " and resid 8 and name H )) (( segid " " and resid 8 and name HB )) 2.800 1.000 1.000 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.15130E-02 ppm1 9.025 ppm2 2.076 CV 1 ASSI { 2268} (( segid " " and resid 8 and name H )) (( segid " " and resid 7 and name HB2 )) 4.600 2.600 1.400 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.64598E-03 ppm1 9.023 ppm2 1.819 CV 1 ASSI { 2271} (( segid " " and resid 8 and name H )) (( segid " " and resid 7 and name HB3 )) 3.600 1.600 1.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.82701E-03 ppm1 9.022 ppm2 1.339 CV 1 ASSI { 2275} (( segid " " and resid 8 and name H )) ( segid " " and resid 16 and name HG2%) 5.200 3.400 0.800 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.48402E-03 ppm1 9.020 ppm2 0.924 CV 1 ASSI { 2277} (( segid " " and resid 9 and name H )) ( segid " " and resid 8 and name HG2%) 3.200 1.300 1.300 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.24906E-02 ppm1 8.853 ppm2 0.732 CV 1 ASSI { 2280} (( segid " " and resid 5 and name H )) (( segid " " and resid 6 and name H )) 3.900 1.900 1.900 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.54307E-03 ppm1 8.657 ppm2 8.890 CV 1 ASSI { 2281} (( segid " " and resid 4 and name H )) (( segid " " and resid 19 and name H )) 3.400 1.400 1.400 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.82322E-03 ppm1 8.727 ppm2 8.822 CV 1 ASSI { 2285} (( segid " " and resid 5 and name H )) (( segid " " and resid 75 and name HD21)) 3.000 1.100 1.100 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.36015E-03 ppm1 8.650 ppm2 7.527 CV 1 ASSI { 2286} (( segid " " and resid 4 and name H )) (( segid " " and resid 18 and name HA )) 4.600 2.700 1.400 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.43257E-03 ppm1 8.732 ppm2 5.269 CV 1 ASSI { 2287} (( segid " " and resid 4 and name H )) (( segid " " and resid 19 and name HA )) 4.900 3.000 1.100 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.26678E-03 ppm1 8.724 ppm2 4.850 CV 1 ASSI { 2288} (( segid " " and resid 4 and name H )) (( segid " " and resid 4 and name HA )) 3.200 1.300 1.300 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.61549E-03 ppm1 8.724 ppm2 4.714 CV 1 ASSI { 2289} (( segid " " and resid 4 and name H )) (( segid " " and resid 20 and name HA )) 4.200 2.200 1.800 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.79272E-03 ppm1 8.729 ppm2 4.655 CV 1 ASSI { 2290} (( segid " " and resid 5 and name H )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 8.655 ppm2 4.889 CV 1 ASSI { 2291} (( segid " " and resid 5 and name H )) (( segid " " and resid 18 and name HA )) 4.500 2.500 1.500 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.36207E-03 ppm1 8.657 ppm2 5.266 CV 1 ASSI { 2294} (( segid " " and resid 4 and name H )) (( segid " " and resid 21 and name HA )) 4.400 2.400 1.600 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.35824E-03 ppm1 8.724 ppm2 4.110 CV 1 ASSI { 2299} (( segid " " and resid 5 and name H )) (( segid " " and resid 75 and name HB2 )) 5.400 3.600 0.600 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.37158E-03 ppm1 8.652 ppm2 2.618 CV 1 ASSI { 2302} (( segid " " and resid 4 and name H )) (( segid " " and resid 20 and name HB3 )) 5.900 4.300 0.100 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.41161E-03 ppm1 8.727 ppm2 2.131 CV 1 ASSI { 2303} (( segid " " and resid 5 and name H )) (( segid " " and resid 4 and name HB2 )) 3.900 1.900 1.900 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 8.655 ppm2 1.573 CV 1 ASSI { 2304} (( segid " " and resid 5 and name H )) (( segid " " and resid 4 and name HG )) 4.400 2.400 1.600 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.78510E-03 ppm1 8.654 ppm2 1.479 CV 1 ASSI { 2305} (( segid " " and resid 5 and name H )) ( segid " " and resid 3 and name HB% ) 4.700 2.700 1.300 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.39636E-03 ppm1 8.655 ppm2 1.113 CV 1 ASSI { 2306} (( segid " " and resid 5 and name H )) (( segid " " and resid 4 and name HB3 )) 2.800 1.000 1.000 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 8.653 ppm2 1.288 CV 1 ASSI { 2307} (( segid " " and resid 4 and name H )) (( segid " " and resid 4 and name HB2 )) 2.600 0.800 0.800 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.23115E-02 ppm1 8.726 ppm2 1.578 CV 1 ASSI { 2309} (( segid " " and resid 4 and name H )) (( segid " " and resid 4 and name HB3 )) 3.700 1.700 1.700 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.14863E-02 ppm1 8.729 ppm2 1.288 CV 1 ASSI { 2311} (( segid " " and resid 5 and name H )) ( segid " " and resid 6 and name HD2%) 3.500 1.500 1.500 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.66314E-03 ppm1 8.658 ppm2 0.882 CV 1 ASSI { 2315} (( segid " " and resid 4 and name H )) ( segid " " and resid 68 and name HD1%) 4.900 3.100 1.100 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.32012E-03 ppm1 8.723 ppm2 0.317 CV 1 ASSI { 2316} (( segid " " and resid 3 and name H )) (( segid " " and resid 4 and name H )) 3.300 1.400 1.400 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.17055E-02 ppm1 7.852 ppm2 8.726 CV 1 ASSI { 2318} (( segid " " and resid 3 and name H )) (( segid " " and resid 20 and name HA )) 4.700 2.800 1.300 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.77938E-03 ppm1 7.852 ppm2 4.663 CV 1 ASSI { 2319} (( segid " " and resid 3 and name H )) (( segid " " and resid 1 and name HA )) 3.700 1.700 1.700 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 7.851 ppm2 4.399 CV 1 ASSI { 2320} (( segid " " and resid 3 and name H )) (( segid " " and resid 3 and name HA )) 2.500 0.800 0.800 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.46420E-02 ppm1 7.851 ppm2 4.278 CV 1 ASSI { 2322} (( segid " " and resid 3 and name H )) (( segid " " and resid 21 and name HD2 )) 4.900 3.000 1.100 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.43828E-03 ppm1 7.853 ppm2 3.881 CV 1 ASSI { 2323} (( segid " " and resid 3 and name H )) (( segid " " and resid 21 and name HD3 )) 3.700 1.700 1.700 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.59644E-03 ppm1 7.850 ppm2 3.812 CV 1 ASSI { 2324} (( segid " " and resid 36 and name H )) (( segid " " and resid 32 and name HA )) 3.500 1.600 1.600 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.64981E-03 ppm1 7.978 ppm2 3.231 CV 1 ASSI { 2326} (( segid " " and resid 3 and name H )) (( segid " " and resid 2 and name HB )) 3.500 1.500 1.500 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.37998E-02 ppm1 7.851 ppm2 2.061 CV 1 ASSI { 2327} (( segid " " and resid 3 and name H )) (( segid " " and resid 21 and name HG3 )) 4.100 2.100 1.900 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 7.850 ppm2 1.946 CV 1 ASSI { 2328} (( segid " " and resid 3 and name H )) (( segid " " and resid 4 and name HB2 )) 4.800 2.800 1.200 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 7.850 ppm2 1.576 CV 1 ASSI { 2329} (( segid " " and resid 3 and name H )) (( segid " " and resid 18 and name HB3 )) 4.900 3.000 1.100 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.49927E-03 ppm1 7.853 ppm2 1.458 CV 1 ASSI { 2331} (( segid " " and resid 3 and name H )) ( segid " " and resid 4 and name HD1%) 4.400 2.400 1.600 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.47069E-03 ppm1 7.852 ppm2 0.701 CV 1 ASSI { 2332} (( segid " " and resid 0 and name H )) (( segid " " and resid -1 and name H )) 2.600 0.900 0.900 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.60349E-02 ppm1 8.044 ppm2 8.152 CV 1 ASSI { 2333} (( segid " " and resid 0 and name H )) ( segid " " and resid -1 and name HD% ) 4.300 2.400 1.700 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.12177E-02 ppm1 8.043 ppm2 7.218 CV 1 ASSI { 2335} (( segid " " and resid 0 and name H )) (( segid " " and resid 0 and name HA )) 2.600 0.900 0.900 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.52175E-02 ppm1 8.044 ppm2 4.202 CV 1 ASSI { 2336} (( segid " " and resid 0 and name H )) (( segid " " and resid 0 and name HB )) 3.300 1.400 1.400 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.33366E-02 ppm1 8.044 ppm2 4.139 CV 1 ASSI { 2337} (( segid " " and resid 0 and name H )) (( segid " " and resid -1 and name HB2 )) 3.500 1.500 1.500 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.35654E-02 ppm1 8.044 ppm2 3.103 CV 1 ASSI { 2338} (( segid " " and resid 0 and name H )) (( segid " " and resid -1 and name HB3 )) 3.800 1.800 1.800 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.20485E-02 ppm1 8.044 ppm2 2.983 CV 1 ASSI { 2340} (( segid " " and resid -1 and name H )) ( segid " " and resid -1 and name HD% ) 2.900 1.100 1.100 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.40703E-02 ppm1 8.154 ppm2 7.217 CV 1 ASSI { 2341} (( segid " " and resid -1 and name H )) (( segid " " and resid -1 and name HA )) 2.400 0.700 0.700 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.10078E-01 ppm1 8.153 ppm2 4.532 CV 1 ASSI { 2342} (( segid " " and resid -1 and name H )) (( segid " " and resid -2 and name HA )) 2.100 0.500 0.500 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.17489E-01 ppm1 8.153 ppm2 4.254 CV 1 ASSI { 2344} (( segid " " and resid -1 and name H )) (( segid " " and resid -1 and name HB2 )) 2.300 0.700 0.700 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.79996E-02 ppm1 8.152 ppm2 3.103 CV 1 ASSI { 2345} (( segid " " and resid -1 and name H )) (( segid " " and resid -1 and name HB3 )) 2.700 0.900 0.900 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.15050E-01 ppm1 8.153 ppm2 2.983 CV 1 ASSI { 2346} (( segid " " and resid -1 and name H )) (( segid " " and resid -2 and name HG2 )) 2.200 2.200 3.800 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.20752E-02 ppm1 8.151 ppm2 1.705 CV 1 ASSI { 2347} (( segid " " and resid -1 and name H )) (( segid " " and resid -2 and name HB2 )) 3.100 1.200 1.200 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.33023E-02 ppm1 8.152 ppm2 1.600 CV 1 ASSI { 2348} (( segid " " and resid -1 and name H )) (( segid " " and resid -2 and name HB3 )) 3.600 1.700 1.700 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 8.153 ppm2 2.099 CV 1 ASSI { 2349} (( segid " " and resid -1 and name H )) ( segid " " and resid 0 and name HG2%) 3.900 1.900 1.900 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.11815E-02 ppm1 8.153 ppm2 1.124 CV 1 ASSI { 2350} (( segid " " and resid -3 and name H )) (( segid " " and resid -3 and name HA )) 2.700 0.900 0.900 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.38644E-02 ppm1 8.372 ppm2 4.793 CV 1 ASSI { 2351} (( segid " " and resid -3 and name H )) (( segid " " and resid -4 and name HA )) 2.000 0.500 0.500 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.18204E-01 ppm1 8.372 ppm2 4.121 CV 1 ASSI { 2352} (( segid " " and resid -3 and name H )) (( segid " " and resid -2 and name HD3 )) 4.500 2.500 1.500 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.81559E-03 ppm1 8.371 ppm2 3.785 CV 1 ASSI { 2353} (( segid " " and resid -3 and name H )) (( segid " " and resid -3 and name HB3 )) 2.900 1.000 1.000 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.56176E-02 ppm1 8.372 ppm2 2.668 CV 1 ASSI { 2354} (( segid " " and resid -3 and name H )) (( segid " " and resid -3 and name HB2 )) 2.500 0.800 0.800 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.82378E-02 ppm1 8.372 ppm2 2.476 CV 1 ASSI { 2355} (( segid " " and resid -3 and name H )) (( segid " " and resid -4 and name HB )) 3.700 1.700 1.700 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.17989E-02 ppm1 8.372 ppm2 1.732 CV 1 ASSI { 2356} (( segid " " and resid -3 and name H )) ( segid " " and resid -4 and name HG2%) 3.500 1.500 1.500 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.20351E-02 ppm1 8.373 ppm2 0.787 CV 1 ASSI { 2359} (( segid " " and resid 188 and name H )) (( segid " " and resid 187 and name HA )) 4.100 2.100 1.900 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.26487E-03 ppm1 7.781 ppm2 3.833 CV 1 ASSI { 2361} (( segid " " and resid 188 and name H )) (( segid " " and resid 188 and name HB3 )) 3.800 1.800 1.800 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.48591E-03 ppm1 7.780 ppm2 3.052 CV 1 ASSI { 2362} (( segid " " and resid 188 and name H )) (( segid " " and resid 186 and name HB2 )) 3.700 1.700 1.700 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.44590E-03 ppm1 7.785 ppm2 2.177 CV 1 ASSI { 2364} (( segid " " and resid 45 and name HD21)) (( segid " " and resid 45 and name H )) 3.500 1.500 1.500 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.67456E-03 ppm1 7.559 ppm2 8.555 CV 1 ASSI { 2365} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 45 and name H )) 4.700 2.700 1.300 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.63265E-03 ppm1 6.886 ppm2 8.554 CV 1 ASSI { 2366} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 45 and name HD21)) 1.500 0.300 0.700 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.47342E-01 ppm1 6.886 ppm2 7.557 CV 1 ASSI { 2368} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 43 and name HA )) 4.200 2.200 1.800 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.12977E-02 ppm1 6.887 ppm2 4.702 CV 1 ASSI { 2369} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 45 and name HA )) 4.600 2.600 1.400 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.95851E-03 ppm1 6.887 ppm2 4.630 CV 1 ASSI { 2370} (( segid " " and resid 45 and name HD21)) (( segid " " and resid 43 and name HA )) 3.600 1.700 1.700 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 7.556 ppm2 4.703 CV 1 ASSI { 2371} (( segid " " and resid 45 and name HD21)) (( segid " " and resid 45 and name HA )) 4.300 2.300 1.700 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.99089E-03 ppm1 7.556 ppm2 4.624 CV 1 ASSI { 2372} (( segid " " and resid 45 and name HD21)) (( segid " " and resid 45 and name HB2 )) 2.400 0.700 0.700 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.38644E-02 ppm1 7.557 ppm2 2.752 CV 1 ASSI { 2373} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 45 and name HB2 )) 3.700 1.700 1.700 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.34509E-02 ppm1 6.886 ppm2 2.752 CV 1 ASSI { 2374} (( segid " " and resid 45 and name HD21)) (( segid " " and resid 44 and name HG2 )) 4.200 2.200 1.800 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.36586E-03 ppm1 7.558 ppm2 2.081 CV 1 ASSI { 2375} (( segid " " and resid 45 and name HD21)) (( segid " " and resid 43 and name HB2 )) 3.700 1.700 1.700 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 7.556 ppm2 1.988 CV 1 ASSI { 2376} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 44 and name HG2 )) 3.600 1.700 1.700 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.48973E-03 ppm1 6.885 ppm2 2.060 CV 1 ASSI { 2377} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 43 and name HB2 )) 2.900 2.900 3.100 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.43828E-03 ppm1 6.886 ppm2 1.975 CV 1 ASSI { 2378} (( segid " " and resid 45 and name HD21)) (( segid " " and resid 43 and name HB3 )) 4.200 2.200 1.800 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.40398E-03 ppm1 7.558 ppm2 2.341 CV 1 ASSI { 2379} (( segid " " and resid 45 and name HD22)) (( segid " " and resid 43 and name HB3 )) 3.000 3.000 3.000 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.32775E-03 ppm1 6.891 ppm2 2.322 CV 1 ASSI { 2380} (( segid " " and resid 183 and name HE21)) (( segid " " and resid 183 and name HE22)) 2.800 1.000 1.000 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 6.507 ppm2 7.271 CV 1 ASSI { 2384} (( segid " " and resid 183 and name HE22)) (( segid " " and resid 183 and name HG3 )) 4.800 2.800 1.200 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.34682E-03 ppm1 7.261 ppm2 2.567 CV 1 ASSI { 2385} (( segid " " and resid 183 and name HE22)) (( segid " " and resid 183 and name HG2 )) 5.200 3.300 0.800 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.25535E-03 ppm1 7.273 ppm2 2.241 CV 1 ASSI { 2387} (( segid " " and resid 183 and name HE21)) ( segid " " and resid 174 and name HD2%) 4.700 2.800 1.300 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.28965E-03 ppm1 6.499 ppm2 0.678 CV 1 OR { 2387} (( segid " " and resid 183 and name HE21)) ( segid " " and resid 174 and name HD1%) ASSI { 2389} (( segid " " and resid 183 and name HE22)) ( segid " " and resid 174 and name HD2%) 3.700 1.700 1.700 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.25725E-03 ppm1 7.267 ppm2 0.679 CV 1 OR { 2389} (( segid " " and resid 183 and name HE22)) ( segid " " and resid 174 and name HD1%) ASSI { 2390} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 75 and name HB3 )) 3.300 1.400 1.400 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.21895E-02 ppm1 7.532 ppm2 2.686 CV 1 ASSI { 2391} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 75 and name HB2 )) 2.800 0.900 0.900 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.27001E-02 ppm1 7.532 ppm2 2.615 CV 1 ASSI { 2392} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 75 and name HB3 )) 3.700 1.700 1.700 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 7.085 ppm2 2.684 CV 1 ASSI { 2393} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 75 and name HB2 )) 3.400 1.400 1.400 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.25916E-02 ppm1 7.086 ppm2 2.616 CV 1 ASSI { 2394} (( segid " " and resid 75 and name HD22)) ( segid " " and resid 6 and name HD2%) 2.800 2.800 3.200 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.47831E-03 ppm1 7.091 ppm2 0.874 CV 1 ASSI { 2395} (( segid " " and resid 75 and name HD22)) ( segid " " and resid 4 and name HD1%) 4.400 2.500 1.600 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.68410E-03 ppm1 7.086 ppm2 0.708 CV 1 ASSI { 2397} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 5 and name HB2 )) 4.800 2.900 1.200 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.32966E-03 ppm1 7.086 ppm2 3.555 CV 1 ASSI { 2398} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 5 and name HB2 )) 4.900 2.900 1.100 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.33157E-03 ppm1 7.533 ppm2 3.547 CV 1 ASSI { 2399} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 74 and name HA )) 4.200 2.200 1.800 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.32203E-03 ppm1 7.533 ppm2 4.460 CV 1 ASSI { 2400} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 75 and name HD22)) 1.500 0.300 0.700 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.14524E-01 ppm1 7.531 ppm2 7.085 CV 1 ASSI { 2402} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 5 and name H )) 3.200 1.300 1.300 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.49544E-03 ppm1 7.090 ppm2 8.665 CV 1 ASSI { 2407} (( segid " " and resid 202 and name HE22)) (( segid " " and resid 202 and name HG3 )) 3.500 1.500 1.500 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.38892E-02 ppm1 7.436 ppm2 2.210 CV 1 OR { 2407} (( segid " " and resid 202 and name HE22)) (( segid " " and resid 202 and name HG2 )) ASSI { 2408} (( segid " " and resid 202 and name HE21)) (( segid " " and resid 202 and name HG3 )) 3.200 1.300 1.300 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.16674E-02 ppm1 6.684 ppm2 2.215 CV 1 OR { 2408} (( segid " " and resid 202 and name HE21)) (( segid " " and resid 202 and name HG2 )) ASSI { 2409} (( segid " " and resid 172 and name HD22)) ( segid " " and resid 133 and name HD1%) 3.300 1.400 1.400 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 6.982 ppm2 0.813 CV 1 OR { 2409} (( segid " " and resid 172 and name HD22)) ( segid " " and resid 133 and name HD2%) ASSI { 2411} (( segid " " and resid 172 and name HD21)) ( segid " " and resid 133 and name HD1%) 3.500 1.500 1.500 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.82510E-03 ppm1 7.389 ppm2 0.813 CV 1 OR { 2411} (( segid " " and resid 172 and name HD21)) ( segid " " and resid 133 and name HD2%) ASSI { 2413} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 133 and name HG )) 2.800 1.000 1.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 6.981 ppm2 1.498 CV 1 ASSI { 2414} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 135 and name HB3 )) 2.400 2.400 3.600 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.12481E-02 ppm1 6.981 ppm2 1.992 CV 1 ASSI { 2415} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 135 and name HB2 )) 3.400 1.400 1.400 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.12863E-02 ppm1 6.983 ppm2 1.912 CV 1 ASSI { 2416} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 135 and name HB2 )) 4.400 2.500 1.600 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 7.390 ppm2 1.912 CV 1 ASSI { 2417} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 135 and name HG3 )) 4.700 2.700 1.300 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.77365E-03 ppm1 7.390 ppm2 2.146 CV 1 ASSI { 2418} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 135 and name HG3 )) 3.900 1.900 1.900 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.94897E-03 ppm1 6.982 ppm2 2.143 CV 1 ASSI { 2419} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 172 and name HB3 )) 3.400 1.500 1.500 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.37693E-02 ppm1 6.982 ppm2 2.629 CV 1 ASSI { 2420} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 172 and name HB3 )) 2.900 1.000 1.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.40168E-02 ppm1 7.390 ppm2 2.629 CV 1 ASSI { 2421} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 172 and name HB2 )) 3.300 1.400 1.400 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.27973E-02 ppm1 6.982 ppm2 2.822 CV 1 ASSI { 2424} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 169 and name HA )) 4.700 2.700 1.300 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.94517E-03 ppm1 7.389 ppm2 4.449 CV 1 ASSI { 2425} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 132 and name HA )) 3.600 1.600 1.600 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 7.389 ppm2 4.137 CV 1 ASSI { 2426} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 172 and name HA )) 4.100 2.100 1.900 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.10976E-02 ppm1 6.982 ppm2 4.763 CV 1 ASSI { 2428} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 172 and name HD22)) 1.300 0.200 0.900 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.34863E-01 ppm1 7.390 ppm2 6.981 CV 1 ASSI { 2430} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 169 and name H )) 3.400 1.400 1.400 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 6.982 ppm2 8.336 CV 1 ASSI { 2431} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 133 and name H )) 4.200 2.200 1.800 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.88038E-03 ppm1 6.981 ppm2 8.197 CV 1 ASSI { 2432} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 172 and name H )) 3.400 1.500 1.500 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.12691E-02 ppm1 7.390 ppm2 8.338 CV 1 ASSI { 2433} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 133 and name H )) 4.000 2.000 2.000 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.77176E-03 ppm1 7.388 ppm2 8.190 CV 1 ASSI { 2434} (( segid " " and resid 12 and name HD22)) (( segid " " and resid 12 and name HD21)) 1.400 0.300 0.800 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.63613E-01 ppm1 6.814 ppm2 7.499 CV 1 ASSI { 2436} (( segid " " and resid 12 and name HD22)) (( segid " " and resid 12 and name HA )) 4.800 2.900 1.200 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 6.813 ppm2 4.648 CV 1 ASSI { 2438} (( segid " " and resid 12 and name HD22)) (( segid " " and resid 12 and name HB2 )) 3.400 1.400 1.400 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.52956E-02 ppm1 6.814 ppm2 2.842 CV 1 ASSI { 2439} (( segid " " and resid 12 and name HD21)) (( segid " " and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.66084E-02 ppm1 7.498 ppm2 2.843 CV 1 ASSI { 2440} (( segid " " and resid 12 and name HD22)) ( segid " " and resid 13 and name HG1%) 5.000 3.100 1.000 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.52594E-03 ppm1 6.813 ppm2 0.906 CV 1 ASSI { 2441} (( segid " " and resid 12 and name HD21)) ( segid " " and resid 13 and name HG1%) 5.000 3.100 1.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.48020E-03 ppm1 7.504 ppm2 0.913 CV 1 ASSI { 2442} (( segid " " and resid 123 and name HD21)) (( segid " " and resid 123 and name HD22)) 1.800 0.400 0.400 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.12761E-01 ppm1 7.676 ppm2 6.688 CV 1 ASSI { 2444} (( segid " " and resid 123 and name HD21)) (( segid " " and resid 123 and name HA )) 3.900 1.900 1.900 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.88227E-03 ppm1 7.676 ppm2 4.897 CV 1 ASSI { 2446} (( segid " " and resid 123 and name HD21)) (( segid " " and resid 126 and name HA )) 4.900 3.100 1.100 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.40778E-03 ppm1 7.675 ppm2 4.184 CV 1 ASSI { 2447} (( segid " " and resid 123 and name HD21)) (( segid " " and resid 123 and name HB2 )) 2.900 1.000 1.000 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.23153E-02 ppm1 7.676 ppm2 2.781 CV 1 ASSI { 2449} (( segid " " and resid 123 and name HD21)) (( segid " " and resid 126 and name HG3 )) 4.100 2.100 1.900 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.56023E-03 ppm1 7.676 ppm2 2.108 CV 1 OR { 2449} (( segid " " and resid 123 and name HD21)) (( segid " " and resid 126 and name HB3 )) ASSI { 2450} (( segid " " and resid 123 and name HD22)) (( segid " " and resid 123 and name HB2 )) 3.800 1.800 1.800 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.21457E-02 ppm1 6.690 ppm2 2.782 CV 1 ASSI { 2451} (( segid " " and resid 123 and name HD22)) (( segid " " and resid 123 and name HB3 )) 4.300 2.300 1.700 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 6.694 ppm2 2.725 CV 1 ASSI { 2452} (( segid " " and resid 123 and name HD21)) (( segid " " and resid 126 and name HG2 )) 3.200 1.300 1.300 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.90514E-03 ppm1 7.675 ppm2 1.827 CV 1 ASSI { 2453} (( segid " " and resid 123 and name HD22)) (( segid " " and resid 126 and name HG2 )) 4.100 2.100 1.900 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.84797E-03 ppm1 6.690 ppm2 1.831 CV 1 ASSI { 2454} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 18 and name HE22)) 1.300 0.200 0.900 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.83996E-01 ppm1 7.203 ppm2 6.674 CV 1 ASSI { 2456} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 18 and name HA )) 4.600 2.700 1.400 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 7.205 ppm2 5.275 CV 1 ASSI { 2457} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 5 and name HA )) 3.900 1.900 1.900 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.87847E-03 ppm1 7.201 ppm2 4.889 CV 1 ASSI { 2458} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 17 and name HA )) 3.900 1.900 1.900 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 7.201 ppm2 4.377 CV 1 ASSI { 2459} (( segid " " and resid 18 and name HE22)) (( segid " " and resid 17 and name HA )) 2.800 2.800 3.200 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.54690E-03 ppm1 6.673 ppm2 4.378 CV 1 ASSI { 2460} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 5 and name HB2 )) 4.100 2.100 1.900 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 7.202 ppm2 3.564 CV 1 ASSI { 2461} (( segid " " and resid 18 and name HE22)) (( segid " " and resid 5 and name HB3 )) 4.800 2.800 1.200 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.56215E-03 ppm1 6.680 ppm2 3.590 CV 1 ASSI { 2462} (( segid " " and resid 18 and name HE22)) (( segid " " and resid 5 and name HB2 )) 2.600 2.600 3.400 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.74698E-03 ppm1 6.680 ppm2 3.534 CV 1 ASSI { 2463} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 5 and name HB3 )) 3.400 1.500 1.500 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.77747E-03 ppm1 7.203 ppm2 3.592 CV 1 ASSI { 2464} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 18 and name HG3 )) 2.000 0.500 0.500 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.74680E-02 ppm1 7.203 ppm2 2.025 CV 1 ASSI { 2465} (( segid " " and resid 18 and name HE22)) (( segid " " and resid 18 and name HG3 )) 3.200 1.300 1.300 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.58711E-02 ppm1 6.674 ppm2 2.024 CV 1 ASSI { 2466} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 18 and name HB2 )) 3.700 1.700 1.700 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 7.203 ppm2 1.589 CV 1 ASSI { 2467} (( segid " " and resid 18 and name HE21)) (( segid " " and resid 18 and name HB3 )) 4.400 2.400 1.600 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 7.203 ppm2 1.449 CV 1 ASSI { 2468} (( segid " " and resid 18 and name HE22)) (( segid " " and resid 18 and name HB3 )) 2.400 2.400 3.600 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 6.675 ppm2 1.454 CV 1 ASSI { 2469} (( segid " " and resid 18 and name HE22)) (( segid " " and resid 18 and name HB2 )) 3.900 1.900 1.900 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 6.674 ppm2 1.590 CV 1 ASSI { 2472} (( segid " " and resid 18 and name HE21)) ( segid " " and resid 16 and name HG2%) 3.100 1.200 1.200 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.17855E-02 ppm1 7.202 ppm2 0.929 CV 1 ASSI { 2473} (( segid " " and resid 18 and name HE22)) ( segid " " and resid 16 and name HG2%) 3.600 1.600 1.600 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 6.674 ppm2 0.929 CV 1 ASSI { 2474} (( segid " " and resid 85 and name HE22)) ( segid " " and resid 102 and name HG1%) 4.800 2.800 1.200 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.60215E-03 ppm1 7.283 ppm2 0.736 CV 1 ASSI { 2475} (( segid " " and resid 85 and name HE21)) ( segid " " and resid 102 and name HG1%) 4.900 3.000 1.100 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.62502E-03 ppm1 6.456 ppm2 0.738 CV 1 ASSI { 2476} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 83 and name HG2 )) 5.500 3.800 0.500 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.38682E-03 ppm1 6.459 ppm2 0.932 CV 1 ASSI { 2478} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 84 and name HB2 )) 4.100 2.100 1.900 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.66505E-03 ppm1 6.459 ppm2 1.156 CV 1 ASSI { 2479} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 85 and name HB2 )) 4.000 2.000 2.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 6.457 ppm2 1.560 CV 1 ASSI { 2480} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 85 and name HB3 )) 3.700 1.700 1.700 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.11262E-02 ppm1 7.283 ppm2 1.611 CV 1 ASSI { 2481} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 85 and name HB3 )) 3.100 1.200 1.200 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.85751E-03 ppm1 6.457 ppm2 1.605 CV 1 ASSI { 2484} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 85 and name HG2 )) 2.200 0.600 0.600 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.34547E-02 ppm1 6.457 ppm2 1.885 CV 1 ASSI { 2485} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 85 and name HG2 )) 3.100 1.200 1.200 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.50041E-02 ppm1 7.283 ppm2 1.886 CV 1 ASSI { 2486} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 85 and name HG3 )) 3.700 1.700 1.700 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 7.283 ppm2 2.071 CV 1 ASSI { 2487} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 85 and name HG3 )) 3.400 1.500 1.500 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.18674E-02 ppm1 6.456 ppm2 2.071 CV 1 ASSI { 2488} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 103 and name HB2 )) 4.300 2.300 1.700 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.12272E-02 ppm1 7.283 ppm2 2.248 CV 1 ASSI { 2489} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 103 and name HB2 )) 3.500 1.500 1.500 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.12634E-02 ppm1 6.456 ppm2 2.249 CV 1 ASSI { 2490} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 103 and name HB3 )) 4.700 2.700 1.300 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.10690E-02 ppm1 7.283 ppm2 2.625 CV 1 ASSI { 2491} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 103 and name HB3 )) 3.700 1.700 1.700 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 6.457 ppm2 2.611 CV 1 ASSI { 2492} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 103 and name HA )) 4.800 2.900 1.200 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.79652E-03 ppm1 7.281 ppm2 4.186 CV 1 ASSI { 2493} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 103 and name HA )) 3.200 1.200 1.200 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.79463E-03 ppm1 6.458 ppm2 4.194 CV 1 ASSI { 2494} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 46 and name HA )) 3.700 1.700 1.700 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.90514E-03 ppm1 6.457 ppm2 4.474 CV 1 ASSI { 2495} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 46 and name HA )) 2.500 2.500 3.500 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.11472E-02 ppm1 7.282 ppm2 4.476 CV 1 ASSI { 2497} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 102 and name HA )) 3.700 1.700 1.700 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.93755E-03 ppm1 6.457 ppm2 4.643 CV 1 ASSI { 2498} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 85 and name HE21)) 1.300 0.200 0.900 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.72294E-01 ppm1 7.282 ppm2 6.457 CV 1 ASSI { 2500} (( segid " " and resid 85 and name HE21)) (( segid " " and resid 103 and name H )) 3.100 1.200 1.200 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.74127E-03 ppm1 6.456 ppm2 8.024 CV 1 ASSI { 2501} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 103 and name H )) 4.300 2.300 1.700 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 7.280 ppm2 8.022 CV 1 ASSI { 2502} (( segid " " and resid 91 and name HE )) ( segid " " and resid 190 and name HG2%) 3.200 1.300 1.300 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 7.935 ppm2 0.930 CV 1 ASSI { 2505} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name HB2 )) 2.600 0.800 0.800 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.21990E-02 ppm1 7.934 ppm2 1.371 CV 1 OR { 2505} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name HG3 )) ASSI { 2506} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name HB3 )) 4.000 2.000 2.000 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 7.934 ppm2 1.697 CV 1 ASSI { 2507} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name HD3 )) 2.900 1.000 1.000 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.22200E-02 ppm1 7.934 ppm2 3.167 CV 1 ASSI { 2508} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name HD2 )) 2.700 0.900 0.900 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.31405E-02 ppm1 7.934 ppm2 2.988 CV 1 ASSI { 2509} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name HA )) 4.600 2.600 1.400 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.54307E-03 ppm1 7.934 ppm2 4.807 CV 1 ASSI { 2510} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name HH21)) 3.800 1.800 1.800 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 7.934 ppm2 6.797 CV 1 ASSI { 2511} (( segid " " and resid 91 and name HE )) (( segid " " and resid 91 and name H )) 5.500 3.800 0.500 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.32395E-03 ppm1 7.933 ppm2 9.222 CV 1 ASSI { 2514} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name HA )) 5.500 3.800 0.500 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.27058E-03 ppm1 7.665 ppm2 3.553 CV 1 ASSI { 2515} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name HD3 )) 3.400 1.500 1.500 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.70886E-03 ppm1 7.674 ppm2 3.036 CV 1 OR { 2515} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name HD2 )) ASSI { 2516} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name HB2 )) 3.200 1.300 1.300 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 7.668 ppm2 1.714 CV 1 OR { 2516} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name HB3 )) ASSI { 2517} (( segid " " and resid 33 and name HE )) (( segid " " and resid 44 and name HG3 )) 4.800 2.900 1.200 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.38491E-03 ppm1 7.674 ppm2 1.900 CV 1 ASSI { 2518} (( segid " " and resid 33 and name HE )) (( segid " " and resid 30 and name HB2 )) 5.500 3.700 0.500 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.23820E-03 ppm1 7.665 ppm2 2.089 CV 1 ASSI { 2519} (( segid " " and resid 33 and name HE )) (( segid " " and resid 44 and name HB2 )) 4.400 2.400 1.600 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.31061E-03 ppm1 7.667 ppm2 2.157 CV 1 ASSI { 2520} (( segid " " and resid 33 and name HE )) (( segid " " and resid 44 and name HB3 )) 4.300 2.300 1.700 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.27441E-03 ppm1 7.671 ppm2 2.002 CV 1 ASSI { 2521} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name HG3 )) 4.000 2.000 2.000 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.46877E-03 ppm1 7.668 ppm2 1.147 CV 1 OR { 2521} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name HG2 )) ASSI { 2522} (( segid " " and resid 33 and name HE )) ( segid " " and resid 40 and name HD1%) 5.200 3.400 0.800 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.30490E-03 ppm1 7.663 ppm2 0.843 CV 1 ASSI { 2523} (( segid " " and resid 33 and name HE )) ( segid " " and resid 32 and name HG2%) 4.100 2.100 1.900 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.70506E-03 ppm1 7.669 ppm2 0.736 CV 1 ASSI { 2524} (( segid " " and resid 86 and name HE )) ( segid " " and resid 102 and name HG2%) 3.700 1.700 1.700 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.17969E-02 ppm1 7.406 ppm2 0.735 CV 1 ASSI { 2525} (( segid " " and resid 178 and name HE )) ( segid " " and resid 179 and name HG2%) 5.200 3.400 0.800 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.62122E-03 ppm1 7.409 ppm2 1.182 CV 1 ASSI { 2526} (( segid " " and resid 178 and name HE )) (( segid " " and resid 178 and name HG2 )) 3.000 1.100 1.100 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.17836E-02 ppm1 7.407 ppm2 1.629 CV 1 ASSI { 2530} (( segid " " and resid 86 and name HE )) (( segid " " and resid 187 and name HG3 )) 3.200 1.300 1.300 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.86702E-03 ppm1 7.408 ppm2 2.225 CV 1 ASSI { 2531} (( segid " " and resid 178 and name HE )) (( segid " " and resid 178 and name HD2 )) 2.500 0.800 0.800 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.58292E-02 ppm1 7.408 ppm2 3.066 CV 1 OR { 2531} (( segid " " and resid 178 and name HE )) (( segid " " and resid 178 and name HD3 )) ASSI { 2532} (( segid " " and resid 86 and name HE )) (( segid " " and resid 86 and name HD3 )) 2.700 0.900 0.900 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 7.407 ppm2 2.899 CV 1 ASSI { 2533} (( segid " " and resid 86 and name HE )) (( segid " " and resid 86 and name HD2 )) 3.100 1.200 1.200 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.14692E-02 ppm1 7.407 ppm2 2.974 CV 1 ASSI { 2534} (( segid " " and resid 178 and name HE )) (( segid " " and resid 178 and name HA )) 4.200 2.200 1.800 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.10766E-02 ppm1 7.407 ppm2 4.876 CV 1 ASSI { 2535} (( segid " " and resid 178 and name HE )) (( segid " " and resid 175 and name H )) 2.700 2.700 3.300 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 7.408 ppm2 9.115 CV 1 ASSI { 2536} (( segid " " and resid 86 and name HE )) (( segid " " and resid 86 and name H )) 4.900 3.100 1.100 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.55070E-03 ppm1 7.399 ppm2 9.316 CV 1 ASSI { 2537} (( segid " " and resid 178 and name HE )) (( segid " " and resid 179 and name H )) 5.000 3.100 1.000 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.48402E-03 ppm1 7.409 ppm2 9.365 CV 1 ASSI { 2538} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name H )) 3.300 1.300 1.300 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 7.403 ppm2 8.908 CV 1 ASSI { 2539} (( segid " " and resid 74 and name HE )) (( segid " " and resid 75 and name H )) 4.800 2.800 1.200 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.57168E-03 ppm1 7.404 ppm2 8.366 CV 1 ASSI { 2540} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HA )) 4.000 2.000 2.000 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.87084E-03 ppm1 7.401 ppm2 4.453 CV 1 ASSI { 2541} (( segid " " and resid 74 and name HE )) (( segid " " and resid 73 and name HA )) 3.700 1.800 1.800 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.57928E-03 ppm1 7.400 ppm2 4.213 CV 1 ASSI { 2542} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HD2 )) 2.600 0.900 0.900 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.40817E-02 ppm1 7.402 ppm2 3.181 CV 1 ASSI { 2543} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HD3 )) 2.800 1.000 1.000 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.33728E-02 ppm1 7.402 ppm2 3.117 CV 1 ASSI { 2544} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HB2 )) 3.400 1.400 1.400 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.17779E-02 ppm1 7.403 ppm2 1.724 CV 1 ASSI { 2545} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HG3 )) 2.700 0.900 0.900 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.38398E-02 ppm1 7.403 ppm2 1.630 CV 1 ASSI { 2546} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HG2 )) 2.900 1.000 1.000 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.34700E-02 ppm1 7.404 ppm2 1.575 CV 1 ASSI { 2547} (( segid " " and resid 74 and name HE )) ( segid " " and resid 73 and name HD2%) 4.500 2.500 1.500 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.60977E-03 ppm1 7.404 ppm2 0.826 CV 1 ASSI { 2548} (( segid " " and resid 74 and name HE )) ( segid " " and resid 4 and name HD2%) 4.800 2.900 1.200 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 7.407 ppm2 0.718 CV 1 OR { 2548} (( segid " " and resid 74 and name HE )) ( segid " " and resid 4 and name HD1%) ASSI { 2549} (( segid " " and resid 194 and name HE )) ( segid " " and resid 130 and name HG1%) 2.800 2.800 3.200 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.55832E-03 ppm1 7.329 ppm2 0.226 CV 1 ASSI { 2550} (( segid " " and resid 194 and name HE )) ( segid " " and resid 130 and name HG2%) 2.900 2.900 3.100 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.45924E-03 ppm1 7.329 ppm2 0.479 CV 1 ASSI { 2551} (( segid " " and resid 194 and name HE )) ( segid " " and resid 192 and name HD1%) 4.100 2.100 1.900 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 7.330 ppm2 0.704 CV 1 ASSI { 2552} (( segid " " and resid 194 and name HE )) ( segid " " and resid 93 and name HD1%) 4.700 2.700 1.300 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 7.330 ppm2 0.953 CV 1 ASSI { 2553} (( segid " " and resid 194 and name HE )) (( segid " " and resid 194 and name HG3 )) 3.000 1.100 1.100 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.20371E-02 ppm1 7.330 ppm2 1.424 CV 1 OR { 2553} (( segid " " and resid 194 and name HE )) (( segid " " and resid 194 and name HG2 )) ASSI { 2554} (( segid " " and resid 194 and name HE )) (( segid " " and resid 194 and name HB2 )) 4.600 2.700 1.400 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.72411E-03 ppm1 7.331 ppm2 1.491 CV 1 ASSI { 2555} (( segid " " and resid 194 and name HE )) (( segid " " and resid 194 and name HB3 )) 2.700 0.900 0.900 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 7.329 ppm2 1.726 CV 1 ASSI { 2556} (( segid " " and resid 194 and name HE )) (( segid " " and resid 194 and name HD2 )) 2.800 1.000 1.000 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.21114E-02 ppm1 7.331 ppm2 2.993 CV 1 OR { 2556} (( segid " " and resid 194 and name HE )) (( segid " " and resid 194 and name HD3 )) ASSI { 2557} (( segid " " and resid 194 and name HE )) (( segid " " and resid 173 and name HZ3 )) 4.500 2.600 1.500 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.65169E-03 ppm1 7.329 ppm2 6.704 CV 1 ASSI { 2558} (( segid " " and resid 194 and name HE )) (( segid " " and resid 173 and name HH2 )) 3.400 1.400 1.400 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.48782E-03 ppm1 7.332 ppm2 6.845 CV 1 ASSI { 2560} (( segid " " and resid 195 and name HE )) ( segid " " and resid 198 and name HE% ) 4.900 3.000 1.100 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 6.730 ppm2 7.107 CV 1 ASSI { 2561} (( segid " " and resid 195 and name HE )) ( segid " " and resid 198 and name HD% ) 4.200 2.200 1.800 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.59835E-03 ppm1 6.728 ppm2 6.969 CV 1 ASSI { 2562} (( segid " " and resid 195 and name HE )) (( segid " " and resid 198 and name HA )) 3.100 1.200 1.200 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 6.730 ppm2 4.408 CV 1 ASSI { 2563} (( segid " " and resid 195 and name HE )) (( segid " " and resid 195 and name HA )) 5.100 3.300 0.900 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.29728E-03 ppm1 6.724 ppm2 3.613 CV 1 ASSI { 2564} (( segid " " and resid 195 and name HE )) (( segid " " and resid 198 and name HB3 )) 5.500 3.700 0.500 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.28012E-03 ppm1 6.729 ppm2 2.959 CV 1 ASSI { 2565} (( segid " " and resid 195 and name HE )) (( segid " " and resid 195 and name HD2 )) 2.800 1.000 1.000 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.26753E-02 ppm1 6.728 ppm2 2.692 CV 1 OR { 2565} (( segid " " and resid 195 and name HE )) (( segid " " and resid 195 and name HD3 )) ASSI { 2566} (( segid " " and resid 195 and name HE )) (( segid " " and resid 126 and name HB3 )) 3.800 1.800 1.800 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.78890E-03 ppm1 6.729 ppm2 2.081 CV 1 ASSI { 2567} (( segid " " and resid 195 and name HE )) (( segid " " and resid 126 and name HB2 )) 3.300 1.400 1.400 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.78510E-03 ppm1 6.728 ppm2 1.824 CV 1 ASSI { 2568} (( segid " " and resid 195 and name HE )) (( segid " " and resid 195 and name HB3 )) 4.600 2.700 1.400 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.59264E-03 ppm1 6.728 ppm2 1.509 CV 1 ASSI { 2569} (( segid " " and resid 195 and name HE )) (( segid " " and resid 195 and name HB2 )) 4.300 2.300 1.700 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.61740E-03 ppm1 6.729 ppm2 1.198 CV 1 ASSI { 2570} (( segid " " and resid 195 and name HE )) (( segid " " and resid 195 and name HG3 )) 2.800 1.000 1.000 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.24544E-02 ppm1 6.729 ppm2 0.810 CV 1 OR { 2570} (( segid " " and resid 195 and name HE )) (( segid " " and resid 195 and name HG2 )) ASSI { 2571} (( segid " " and resid 82 and name HE )) (( segid " " and resid 82 and name HB2 )) 2.200 0.600 0.600 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.29480E-02 ppm1 6.676 ppm2 1.454 CV 1 ASSI { 2572} (( segid " " and resid 82 and name HE )) (( segid " " and resid 82 and name HG3 )) 2.600 0.900 0.900 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 6.676 ppm2 1.536 CV 1 ASSI { 2574} (( segid " " and resid 82 and name HE )) (( segid " " and resid 80 and name HB3 )) 2.300 2.300 3.700 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.16521E-02 ppm1 6.675 ppm2 1.985 CV 1 OR { 2574} (( segid " " and resid 82 and name HE )) (( segid " " and resid 80 and name HG2 )) ASSI { 2575} (( segid " " and resid 82 and name HE )) (( segid " " and resid 82 and name HD3 )) 2.500 0.800 0.800 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.36225E-02 ppm1 6.676 ppm2 2.130 CV 1 ASSI { 2576} (( segid " " and resid 82 and name HE )) (( segid " " and resid 82 and name HD2 )) 2.600 0.900 0.900 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.32452E-02 ppm1 6.676 ppm2 2.418 CV 1 ASSI { 2578} (( segid " " and resid 82 and name HE )) ( segid " " and resid 50 and name HD% ) 4.500 2.600 1.500 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.91276E-03 ppm1 6.675 ppm2 5.500 CV 1 ASSI { 2579} (( segid " " and resid 82 and name HE )) (( segid " " and resid 61 and name HH2 )) 2.600 0.800 0.800 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.15092E-02 ppm1 6.676 ppm2 6.493 CV 1 ASSI { 2580} (( segid " " and resid 82 and name HE )) (( segid " " and resid 61 and name HZ2 )) 3.300 1.400 1.400 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 6.675 ppm2 7.159 CV 1 ASSI { 2581} (( segid " " and resid 82 and name HE )) (( segid " " and resid 83 and name H )) 4.400 2.500 1.600 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 6.678 ppm2 8.422 CV 1 ASSI { 2583} (( segid " " and resid 117 and name H )) (( segid " " and resid 118 and name HG2 )) 4.100 2.100 1.900 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.50878E-03 ppm1 7.749 ppm2 1.627 CV 1 ASSI { 2584} (( segid " " and resid 117 and name H )) (( segid " " and resid 118 and name HD3 )) 4.900 3.000 1.100 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.37731E-03 ppm1 7.755 ppm2 3.144 CV 1 OR { 2584} (( segid " " and resid 117 and name H )) (( segid " " and resid 118 and name HD2 )) ASSI { 2585} (( segid " " and resid 127 and name H )) (( segid " " and resid 196 and name H )) 4.600 2.700 1.400 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.36207E-03 ppm1 7.806 ppm2 8.349 CV 1 ASSI { 2586} (( segid " " and resid 195 and name HE )) (( segid " " and resid 126 and name HA )) 5.000 3.100 1.000 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.31824E-03 ppm1 6.727 ppm2 4.189 CV 1 ASSI { 2587} (( segid " " and resid 186 and name H )) ( segid " " and resid 185 and name HG1%) 4.400 2.400 1.600 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 8.813 ppm2 0.695 CV 1 ASSI { 2589} (( segid " " and resid 92 and name H )) (( segid " " and resid 98 and name H )) 5.200 3.400 0.800 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.50115E-03 ppm1 8.936 ppm2 9.138 CV 1 ASSI { 2591} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 133 and name HB2 )) 3.900 1.900 1.900 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.84417E-03 ppm1 6.981 ppm2 1.562 CV 1 ASSI { 2592} (( segid " " and resid 96 and name H )) (( segid " " and resid 91 and name HB3 )) 4.700 2.800 1.300 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.52594E-03 ppm1 8.052 ppm2 1.631 CV 1 ASSI { 2593} (( segid " " and resid 193 and name H )) (( segid " " and resid 92 and name HA )) 4.000 2.000 2.000 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.41923E-03 ppm1 7.882 ppm2 4.576 CV 1 ASSI { 2594} (( segid " " and resid 191 and name H )) (( segid " " and resid 190 and name HB )) 4.900 3.000 1.100 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.39827E-03 ppm1 8.420 ppm2 3.891 CV 1 ASSI { 2596} (( segid " " and resid 82 and name HE )) (( segid " " and resid 82 and name HA )) 4.900 3.100 1.100 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.86131E-03 ppm1 6.679 ppm2 4.704 CV 1 ASSI { 2598} (( segid " " and resid 86 and name HE )) (( segid " " and resid 187 and name HB3 )) 5.000 3.100 1.000 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.60598E-03 ppm1 7.409 ppm2 1.908 CV 1 OR { 2598} (( segid " " and resid 86 and name HE )) (( segid " " and resid 187 and name HB2 )) ASSI { 2599} (( segid " " and resid 33 and name HE )) (( segid " " and resid 33 and name H )) 4.400 2.400 1.600 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.28583E-03 ppm1 7.669 ppm2 7.456 CV 1 ASSI { 2600} (( segid " " and resid 33 and name HE )) ( segid " " and resid 81 and name HE% ) 4.700 2.800 1.300 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.27441E-03 ppm1 7.671 ppm2 6.315 CV 1 ASSI { 2601} (( segid " " and resid 86 and name HE )) (( segid " " and resid 104 and name HA )) 4.700 2.700 1.300 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.88227E-03 ppm1 7.410 ppm2 4.258 CV 1 ASSI { 2603} (( segid " " and resid 171 and name H )) (( segid " " and resid 172 and name H )) 2.700 0.900 0.900 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.21285E-02 ppm1 8.188 ppm2 8.338 CV 1 ASSI { 2605} (( segid " " and resid 105 and name H )) (( segid " " and resid 61 and name HB2 )) 5.400 3.600 0.600 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.17531E-03 ppm1 8.598 ppm2 3.013 CV 1 ASSI { 2606} (( segid " " and resid 105 and name H )) (( segid " " and resid 61 and name HE3 )) 3.300 3.300 2.700 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.20961E-03 ppm1 8.600 ppm2 7.512 CV 1 ASSI { 2607} (( segid " " and resid 105 and name H )) (( segid " " and resid 103 and name H )) 5.800 4.200 0.200 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.24391E-03 ppm1 8.596 ppm2 8.023 CV 1 ASSI { 2608} (( segid " " and resid 105 and name H )) (( segid " " and resid 84 and name HG3 )) 3.200 3.200 2.800 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.21914E-03 ppm1 8.594 ppm2 0.039 CV 1 ASSI { 2609} (( segid " " and resid 61 and name H )) (( segid " " and resid 105 and name HA )) 5.100 3.200 0.900 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.32586E-03 ppm1 8.464 ppm2 4.153 CV 1 ASSI { 2612} (( segid " " and resid 3 and name H )) ( segid " " and resid 2 and name HG2%) 3.200 1.300 1.300 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.63017E-02 ppm1 7.851 ppm2 0.867 CV 1 ASSI { 2613} (( segid " " and resid 92 and name H )) ( segid " " and resid 96 and name HG2%) 4.900 3.000 1.100 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.31441E-03 ppm1 8.937 ppm2 1.067 CV 1 ASSI { 2615} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 171 and name HG )) 4.500 2.600 1.500 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.94706E-03 ppm1 10.155 ppm2 1.428 CV 1 ASSI { 2618} (( segid " " and resid 192 and name H )) ( segid " " and resid 130 and name HG2%) 4.500 2.600 1.500 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.36969E-03 ppm1 9.075 ppm2 0.483 CV 1 ASSI { 2619} (( segid " " and resid 189 and name H )) (( segid " " and resid 187 and name HA )) 3.600 1.600 1.600 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.11395E-02 ppm1 7.021 ppm2 3.828 CV 1 ASSI { 2620} (( segid " " and resid 184 and name H )) (( segid " " and resid 57 and name HG2 )) 5.000 3.100 1.000 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.71460E-03 ppm1 7.698 ppm2 1.425 CV 1 ASSI { 2622} (( segid " " and resid 109 and name H )) (( segid " " and resid 176 and name HB3 )) 3.300 1.400 1.400 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.83273E-03 ppm1 8.777 ppm2 3.509 CV 1 ASSI { 2623} (( segid " " and resid 109 and name H )) (( segid " " and resid 176 and name HD2 )) 5.300 3.500 0.700 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.46306E-03 ppm1 8.778 ppm2 6.955 CV 1 ASSI { 2624} (( segid " " and resid 85 and name H )) (( segid " " and resid 85 and name HB3 )) 3.200 1.300 1.300 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.24677E-02 ppm1 7.129 ppm2 1.620 CV 1 ASSI { 2626} (( segid " " and resid 173 and name H )) (( segid " " and resid 173 and name HE1 )) 5.000 3.100 1.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.57928E-03 ppm1 7.716 ppm2 10.154 CV 1 ASSI { 2628} (( segid " " and resid 135 and name H )) (( segid " " and resid 134 and name H )) 2.100 0.600 0.600 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.37941E-02 ppm1 8.267 ppm2 8.187 CV 1 ASSI { 2630} (( segid " " and resid 14 and name H )) (( segid " " and resid 15 and name HA )) 4.300 2.300 1.700 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.34491E-03 ppm1 8.200 ppm2 4.658 CV 1 ASSI { 2631} (( segid " " and resid 15 and name H )) (( segid " " and resid 7 and name HA )) 5.000 3.100 1.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.31252E-03 ppm1 8.896 ppm2 4.497 CV 1 ASSI { 2632} (( segid " " and resid 17 and name H )) ( segid " " and resid 19 and name HE% ) 4.500 2.500 1.500 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.32586E-03 ppm1 9.128 ppm2 7.121 CV 1 ASSI { 2635} (( segid " " and resid 32 and name H )) (( segid " " and resid 31 and name HB3 )) 4.000 2.000 2.000 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.79272E-03 ppm1 8.090 ppm2 2.320 CV 1 ASSI { 2636} (( segid " " and resid 94 and name H )) (( segid " " and resid 96 and name H )) 3.900 1.900 1.900 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.10824E-02 ppm1 7.667 ppm2 8.041 CV 1 ASSI { 2637} (( segid " " and resid 34 and name H )) (( segid " " and resid 35 and name HA )) 4.800 2.900 1.200 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.62502E-03 ppm1 7.628 ppm2 4.331 CV 1 ASSI { 2638} (( segid " " and resid 94 and name H )) (( segid " " and resid 92 and name HG2 )) 4.400 2.500 1.600 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.10023E-02 ppm1 7.668 ppm2 2.451 CV 1 ASSI { 2640} (( segid " " and resid 94 and name H )) ( segid " " and resid 96 and name HG2%) 5.500 3.800 0.500 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.47640E-03 ppm1 7.663 ppm2 1.070 CV 1 ASSI { 2642} (( segid " " and resid 45 and name H )) (( segid " " and resid 44 and name HD3 )) 4.100 2.100 1.900 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.93181E-03 ppm1 8.556 ppm2 3.743 CV 1 ASSI { 2643} (( segid " " and resid 58 and name H )) (( segid " " and resid 57 and name HG2 )) 4.700 2.800 1.300 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.64407E-03 ppm1 8.023 ppm2 1.434 CV 1 OR { 2643} (( segid " " and resid 58 and name H )) (( segid " " and resid 57 and name HG3 )) ASSI { 2645} (( segid " " and resid 31 and name H )) (( segid " " and resid 30 and name HA )) 3.600 1.600 1.600 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.84989E-03 ppm1 8.330 ppm2 3.823 CV 1 ASSI { 2646} (( segid " " and resid 78 and name H )) (( segid " " and resid 77 and name H )) 4.400 2.400 1.600 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.11243E-02 ppm1 8.160 ppm2 8.075 CV 1 ASSI { 2647} (( segid " " and resid 82 and name H )) (( segid " " and resid 82 and name HG3 )) 3.400 1.400 1.400 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.55070E-03 ppm1 8.677 ppm2 1.518 CV 1 ASSI { 2648} (( segid " " and resid 86 and name H )) (( segid " " and resid 85 and name HB3 )) 3.300 1.300 1.300 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.97564E-03 ppm1 9.305 ppm2 1.614 CV 1 ASSI { 2649} (( segid " " and resid 90 and name H )) (( segid " " and resid 90 and name HG13)) 4.500 2.500 1.500 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.64027E-03 ppm1 8.806 ppm2 1.212 CV 1 ASSI { 2650} (( segid " " and resid 90 and name H )) ( segid " " and resid 97 and name HG2%) 3.300 1.300 1.300 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.15740E-02 ppm1 8.807 ppm2 0.690 CV 1 ASSI { 2651} (( segid " " and resid 95 and name H )) (( segid " " and resid 96 and name H )) 2.500 0.800 0.800 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.33310E-02 ppm1 7.985 ppm2 8.042 CV 1 ASSI { 2652} (( segid " " and resid 96 and name H )) (( segid " " and resid 94 and name HA )) 4.800 2.900 1.200 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.51260E-03 ppm1 8.050 ppm2 4.439 CV 1 ASSI { 2653} (( segid " " and resid 104 and name H )) (( segid " " and resid 61 and name HZ2 )) 4.700 2.800 1.300 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.39827E-03 ppm1 8.394 ppm2 7.160 CV 1 ASSI { 2655} (( segid " " and resid 109 and name H )) ( segid " " and resid 112 and name HD1%) 5.300 3.500 0.700 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.51449E-03 ppm1 8.773 ppm2 0.748 CV 1 ASSI { 2656} (( segid " " and resid 109 and name H )) ( segid " " and resid 112 and name HD2%) 5.800 4.200 0.200 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.50689E-03 ppm1 8.778 ppm2 0.681 CV 1 ASSI { 2658} (( segid " " and resid 112 and name H )) (( segid " " and resid 109 and name HA )) 3.400 1.400 1.400 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.91847E-03 ppm1 8.749 ppm2 3.788 CV 1 ASSI { 2660} (( segid " " and resid 118 and name H )) (( segid " " and resid 118 and name HG2 )) 1.800 0.400 0.400 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.16636E-02 ppm1 7.688 ppm2 1.631 CV 1 ASSI { 2664} (( segid " " and resid 122 and name H )) (( segid " " and resid 122 and name HA )) 2.900 1.000 1.000 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.34777E-02 ppm1 8.500 ppm2 4.168 CV 1 OR { 2664} (( segid " " and resid 122 and name H )) (( segid " " and resid 122 and name HB )) ASSI { 2665} (( segid " " and resid 128 and name H )) (( segid " " and resid 195 and name HB2 )) 5.900 4.300 0.100 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.28965E-03 ppm1 8.880 ppm2 1.196 CV 1 ASSI { 2666} (( segid " " and resid 128 and name H )) (( segid " " and resid 196 and name HB2 )) 4.000 2.000 2.000 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 8.875 ppm2 0.926 CV 1 ASSI { 2668} (( segid " " and resid 171 and name H )) (( segid " " and resid 171 and name HA )) 2.500 0.800 0.800 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.41941E-02 ppm1 8.190 ppm2 4.143 CV 1 ASSI { 2670} (( segid " " and resid 134 and name H )) (( segid " " and resid 135 and name HG3 )) 4.200 2.200 1.800 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.70506E-03 ppm1 8.191 ppm2 2.145 CV 1 ASSI { 2671} (( segid " " and resid 135 and name H )) (( segid " " and resid 134 and name HB2 )) 3.500 1.500 1.500 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.28278E-02 ppm1 8.267 ppm2 2.036 CV 1 ASSI { 2672} (( segid " " and resid 178 and name H )) (( segid " " and resid 183 and name HE22)) 4.400 2.400 1.600 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.35444E-03 ppm1 7.020 ppm2 7.273 CV 1 ASSI { 2674} (( segid " " and resid 187 and name H )) (( segid " " and resid 188 and name H )) 3.600 1.600 1.600 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.36207E-03 ppm1 9.095 ppm2 7.779 CV 1 ASSI { 2677} (( segid " " and resid 195 and name H )) (( segid " " and resid 196 and name H )) 4.700 2.700 1.300 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 8.779 ppm2 8.348 CV 1 ASSI { 2678} (( segid " " and resid 202 and name H )) (( segid " " and resid 201 and name H )) 2.400 0.700 0.700 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.78701E-02 ppm1 7.716 ppm2 8.174 CV 1 ASSI { 2679} (( segid " " and resid 202 and name H )) (( segid " " and resid 200 and name HA )) 3.400 1.500 1.500 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.17855E-02 ppm1 7.717 ppm2 4.343 CV 1 ASSI { 2680} (( segid " " and resid 202 and name H )) (( segid " " and resid 202 and name HA )) 2.400 0.700 0.700 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.12013E-01 ppm1 7.716 ppm2 4.070 CV 1 ASSI { 2681} (( segid " " and resid 202 and name H )) (( segid " " and resid 200 and name HB2 )) 3.500 1.600 1.600 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.15797E-02 ppm1 7.714 ppm2 3.817 CV 1 ASSI { 2682} (( segid " " and resid 202 and name H )) (( segid " " and resid 200 and name HB3 )) 3.800 1.800 1.800 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.10080E-02 ppm1 7.718 ppm2 3.707 CV 1 ASSI { 2683} (( segid " " and resid 202 and name H )) (( segid " " and resid 201 and name HB3 )) 3.200 1.300 1.300 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.19094E-02 ppm1 7.718 ppm2 2.670 CV 1 ASSI { 2684} (( segid " " and resid 202 and name H )) (( segid " " and resid 201 and name HB2 )) 4.000 2.000 2.000 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.16750E-02 ppm1 7.716 ppm2 2.612 CV 1 ASSI { 2685} (( segid " " and resid 202 and name H )) (( segid " " and resid 202 and name HG3 )) 3.100 1.200 1.200 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.57357E-02 ppm1 7.717 ppm2 2.206 CV 1 OR { 2685} (( segid " " and resid 202 and name H )) (( segid " " and resid 202 and name HG2 )) ASSI { 2686} (( segid " " and resid 202 and name H )) (( segid " " and resid 202 and name HB2 )) 2.800 1.000 1.000 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.36548E-02 ppm1 7.717 ppm2 2.042 CV 1 ASSI { 2687} (( segid " " and resid 202 and name H )) (( segid " " and resid 202 and name HB3 )) 2.500 0.800 0.800 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.95946E-02 ppm1 7.717 ppm2 1.833 CV 1 ASSI { 2688} (( segid " " and resid 136 and name H )) (( segid " " and resid 137 and name HB2 )) 4.700 2.800 1.300 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.76031E-03 ppm1 8.384 ppm2 1.692 CV 1 ASSI { 2689} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 133 and name HG )) 2.800 1.000 1.000 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.64407E-03 ppm1 7.388 ppm2 1.497 CV 1 ASSI { 2692} (( segid " " and resid 119 and name H )) (( segid " " and resid 119 and name HG13)) 3.500 1.500 1.500 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.24163E-02 ppm1 7.470 ppm2 1.284 CV 1 ASSI { 2695} (( segid " " and resid 31 and name H )) ( segid " " and resid 28 and name HB% ) 4.300 2.300 1.700 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.76794E-03 ppm1 8.332 ppm2 1.008 CV 1 ASSI { 2697} (( segid " " and resid 41 and name H )) (( segid " " and resid 40 and name HG )) 4.300 2.300 1.700 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.15778E-02 ppm1 7.350 ppm2 1.601 CV 1 ASSI { 2698} (( segid " " and resid 30 and name H )) (( segid " " and resid 31 and name HG3 )) 4.900 2.900 1.100 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.40398E-03 ppm1 7.176 ppm2 2.533 CV 1 ASSI { 2699} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 171 and name HA )) 5.200 3.400 0.800 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 10.155 ppm2 4.192 CV 1 ASSI { 2701} (( segid " " and resid 131 and name HE )) (( segid " " and resid 185 and name HA )) 4.400 2.400 1.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.80606E-03 ppm1 9.032 ppm2 3.842 CV 1 ASSI { 2710} (( segid " " and resid 190 and name H )) (( segid " " and resid 132 and name HB2 )) 3.200 3.200 2.800 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.15664E-02 ppm1 8.634 ppm2 1.905 CV 1 ASSI { 2711} (( segid " " and resid 186 and name H )) (( segid " " and resid 187 and name HB2 )) 4.600 2.600 1.400 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.66123E-03 ppm1 8.814 ppm2 1.921 CV 1 OR { 2711} (( segid " " and resid 186 and name H )) (( segid " " and resid 187 and name HB3 )) ASSI { 2712} (( segid " " and resid 185 and name H )) (( segid " " and resid 183 and name HB2 )) 3.700 1.700 1.700 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 7.341 ppm2 2.179 CV 1 OR { 2712} (( segid " " and resid 185 and name H )) (( segid " " and resid 183 and name HG2 )) ASSI { 2713} (( segid " " and resid 185 and name H )) (( segid " " and resid 180 and name HB2 )) 4.600 2.700 1.400 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.54499E-03 ppm1 7.337 ppm2 1.909 CV 1 ASSI { 2717} (( segid " " and resid 183 and name H )) (( segid " " and resid 178 and name HG3 )) 4.700 2.700 1.300 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.35444E-03 ppm1 7.158 ppm2 1.503 CV 1 ASSI { 2719} (( segid " " and resid 175 and name H )) (( segid " " and resid 129 and name HB3 )) 5.600 3.900 0.400 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 9.120 ppm2 1.486 CV 1 ASSI { 2721} (( segid " " and resid 169 and name H )) (( segid " " and resid 138 and name HB3 )) 1.900 0.400 0.400 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.42629E-02 ppm1 8.323 ppm2 1.783 CV 1 ASSI { 2724} (( segid " " and resid 138 and name H )) (( segid " " and resid 135 and name HA )) 3.600 1.600 1.600 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.26639E-02 ppm1 8.081 ppm2 4.147 CV 1 ASSI { 2726} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HE3 )) 4.200 2.200 1.800 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 8.081 ppm2 2.899 CV 1 OR { 2726} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HE2 )) ASSI { 2730} (( segid " " and resid 133 and name H )) (( segid " " and resid 134 and name HG3 )) 5.000 3.100 1.000 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.70315E-03 ppm1 8.208 ppm2 2.551 CV 1 ASSI { 2734} (( segid " " and resid 125 and name H )) ( segid " " and resid 197 and name HE% ) 4.300 2.300 1.700 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.87084E-03 ppm1 8.062 ppm2 7.146 CV 1 ASSI { 2735} (( segid " " and resid 125 and name H )) (( segid " " and resid 124 and name HB2 )) 4.200 2.300 1.800 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.72793E-03 ppm1 8.064 ppm2 2.976 CV 1 ASSI { 2741} (( segid " " and resid 117 and name H )) (( segid " " and resid 118 and name HB2 )) 4.600 2.600 1.400 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.98518E-03 ppm1 7.755 ppm2 1.934 CV 1 OR { 2741} (( segid " " and resid 117 and name H )) (( segid " " and resid 118 and name HB3 )) ASSI { 2743} (( segid " " and resid 117 and name H )) ( segid " " and resid 100 and name HG2%) 4.700 2.700 1.300 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.63265E-03 ppm1 7.756 ppm2 0.643 CV 1 OR { 2743} (( segid " " and resid 117 and name H )) ( segid " " and resid 100 and name HD1%) ASSI { 2752} (( segid " " and resid 99 and name H )) (( segid " " and resid 98 and name HG3 )) 3.700 1.700 1.700 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.15073E-02 ppm1 8.414 ppm2 1.292 CV 1 OR { 2752} (( segid " " and resid 99 and name H )) (( segid " " and resid 98 and name HG2 )) ASSI { 2755} (( segid " " and resid 98 and name H )) (( segid " " and resid 92 and name HG2 )) 4.900 3.000 1.100 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.43637E-03 ppm1 9.132 ppm2 2.444 CV 1 ASSI { 2756} (( segid " " and resid 95 and name H )) (( segid " " and resid 91 and name HD3 )) 4.900 3.000 1.100 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.48020E-03 ppm1 7.983 ppm2 3.169 CV 1 ASSI { 2761} (( segid " " and resid 85 and name H )) (( segid " " and resid 105 and name H )) 4.100 2.100 1.900 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.31632E-03 ppm1 7.129 ppm2 8.600 CV 1 ASSI { 2766} (( segid " " and resid 77 and name H )) (( segid " " and resid 7 and name H )) 4.000 2.000 2.000 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.52974E-03 ppm1 8.078 ppm2 8.680 CV 1 ASSI { 2771} (( segid " " and resid 70 and name H )) (( segid " " and resid 66 and name HB2 )) 5.000 3.100 1.000 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.37920E-03 ppm1 7.900 ppm2 2.070 CV 1 ASSI { 2776} (( segid " " and resid 65 and name H )) (( segid " " and resid 25 and name HB )) 4.600 2.600 1.400 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 8.161 ppm2 2.757 CV 1 ASSI { 2778} (( segid " " and resid 182 and name H )) (( segid " " and resid 183 and name HB3 )) 4.400 2.400 1.600 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.71077E-03 ppm1 8.022 ppm2 2.019 CV 1 ASSI { 2782} (( segid " " and resid 55 and name H )) (( segid " " and resid 58 and name HA )) 5.100 3.300 0.900 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.48211E-03 ppm1 9.265 ppm2 4.345 CV 1 ASSI { 2783} (( segid " " and resid 55 and name H )) (( segid " " and resid 56 and name HG2 )) 5.500 3.800 0.500 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.56215E-03 ppm1 9.263 ppm2 2.022 CV 1 OR { 2783} (( segid " " and resid 55 and name H )) (( segid " " and resid 56 and name HG3 )) ASSI { 2785} (( segid " " and resid 49 and name H )) (( segid " " and resid 84 and name HE3 )) 4.500 2.600 1.500 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.39445E-03 ppm1 9.079 ppm2 2.359 CV 1 OR { 2785} (( segid " " and resid 49 and name H )) (( segid " " and resid 84 and name HE2 )) ASSI { 2789} (( segid " " and resid 40 and name H )) (( segid " " and resid 37 and name HB2 )) 4.500 2.500 1.500 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.65361E-03 ppm1 7.363 ppm2 1.789 CV 1 ASSI { 2792} (( segid " " and resid 40 and name H )) (( segid " " and resid 37 and name HB3 )) 5.500 3.800 0.500 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 7.365 ppm2 2.253 CV 1 ASSI { 2794} (( segid " " and resid 35 and name H )) (( segid " " and resid 36 and name HG12)) 5.600 3.900 0.400 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.51069E-03 ppm1 7.515 ppm2 0.846 CV 1 OR { 2794} (( segid " " and resid 35 and name H )) ( segid " " and resid 36 and name HG2%) ASSI { 2795} (( segid " " and resid 30 and name H )) (( segid " " and resid 27 and name HB3 )) 4.000 2.000 2.000 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.11472E-02 ppm1 7.177 ppm2 2.607 CV 1 OR { 2795} (( segid " " and resid 30 and name H )) (( segid " " and resid 27 and name HB2 )) ASSI { 2798} (( segid " " and resid 29 and name H )) (( segid " " and resid 27 and name HB3 )) 3.600 1.600 1.600 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.30643E-02 ppm1 8.212 ppm2 2.609 CV 1 OR { 2798} (( segid " " and resid 29 and name H )) (( segid " " and resid 27 and name HB2 )) ASSI { 2800} (( segid " " and resid 27 and name H )) ( segid " " and resid 31 and name HE% ) 5.100 3.200 0.900 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.44781E-03 ppm1 6.718 ppm2 2.039 CV 1 ASSI { 2801} (( segid " " and resid 23 and name H )) (( segid " " and resid 24 and name HA )) 4.900 3.000 1.100 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.54690E-03 ppm1 7.709 ppm2 4.690 CV 1 ASSI { 2804} (( segid " " and resid 20 and name H )) ( segid " " and resid -1 and name HE% ) 4.800 2.900 1.200 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.31061E-03 ppm1 9.212 ppm2 7.250 CV 1 OR { 2804} (( segid " " and resid 20 and name H )) ( segid " " and resid -1 and name HD% ) ASSI { 2806} (( segid " " and resid 16 and name H )) ( segid " " and resid 36 and name HG2%) 4.600 2.600 1.400 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 8.580 ppm2 0.820 CV 1 ASSI { 2807} (( segid " " and resid 14 and name H )) (( segid " " and resid 15 and name HG3 )) 5.700 4.000 0.300 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.28203E-03 ppm1 8.208 ppm2 1.232 CV 1 ASSI { 2809} (( segid " " and resid 8 and name H )) (( segid " " and resid 8 and name HG12)) 3.200 1.300 1.300 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.69172E-03 ppm1 9.029 ppm2 1.406 CV 1 ASSI { 2810} (( segid " " and resid 4 and name H )) (( segid " " and resid 75 and name HD22)) 4.900 3.000 1.100 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 8.727 ppm2 7.061 CV 1 ASSI { 2812} (( segid " " and resid 4 and name H )) (( segid " " and resid 21 and name HG3 )) 4.800 2.900 1.200 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.58882E-03 ppm1 8.729 ppm2 1.950 CV 1 ASSI { 2815} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 138 and name HB2 )) 4.100 2.100 1.900 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 6.985 ppm2 1.669 CV 1 ASSI { 2816} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 138 and name HB2 )) 4.300 2.300 1.700 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.65361E-03 ppm1 7.389 ppm2 1.668 CV 1 ASSI { 2819} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 131 and name HD3 )) 2.700 2.700 3.300 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.62693E-03 ppm1 6.982 ppm2 3.061 CV 1 ASSI { 2820} (( segid " " and resid 172 and name HD22)) (( segid " " and resid 132 and name HA )) 3.900 1.900 1.900 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 6.981 ppm2 4.135 CV 1 ASSI { 2824} (( segid " " and resid 33 and name HE )) (( segid " " and resid 29 and name HB3 )) 3.600 1.600 1.600 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.70506E-03 ppm1 7.666 ppm2 3.253 CV 1 ASSI { 2828} (( segid " " and resid 82 and name HE )) (( segid " " and resid 83 and name HB2 )) 5.100 3.200 0.900 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.48782E-03 ppm1 6.673 ppm2 1.291 CV 1 ASSI { 2831} (( segid " " and resid 50 and name H )) ( segid " " and resid 50 and name HD% ) 4.600 2.700 1.400 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.81939E-03 ppm1 9.129 ppm2 5.482 CV 1 ASSI { 2832} (( segid " " and resid 54 and name H )) (( segid " " and resid 50 and name HZ )) 5.500 3.800 0.500 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.20961E-03 ppm1 8.264 ppm2 6.711 CV 1 ASSI { 2837} (( segid " " and resid 106 and name H )) (( segid " " and resid 110 and name HB2 )) 4.500 2.500 1.500 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.60026E-03 ppm1 7.232 ppm2 2.666 CV 1 ASSI { 2840} (( segid " " and resid 128 and name H )) ( segid " " and resid 112 and name HD2%) 4.000 2.000 2.000 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.91847E-03 ppm1 8.877 ppm2 0.673 CV 1 ASSI { 2842} (( segid " " and resid 178 and name H )) (( segid " " and resid 107 and name HA )) 4.500 2.600 1.500 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.39065E-03 ppm1 7.019 ppm2 3.772 CV 1 ASSI { 2844} (( segid " " and resid 200 and name H )) (( segid " " and resid 202 and name HB3 )) 4.000 2.000 2.000 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.31252E-03 ppm1 8.235 ppm2 1.809 CV 1 ASSI { 2} (( segid " " and resid 61 and name HH2 )) (( segid " " and resid 82 and name HB2 )) 3.800 1.800 1.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.17166E-02 ppm1 6.487 ppm2 1.442 CV 1 OR { 2} (( segid " " and resid 61 and name HH2 )) (( segid " " and resid 82 and name HG2 )) ASSI { 3} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 66 and name HE3 )) 3.700 1.700 1.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.42096E-02 ppm1 6.534 ppm2 2.242 CV 1 OR { 3} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 66 and name HE2 )) ASSI { 4} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 40 and name HB3 )) 3.300 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 6.304 ppm2 1.548 CV 1 ASSI { 6} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 110 and name HA )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.21498E-02 ppm1 7.817 ppm2 4.311 CV 1 ASSI { 7} ( segid " " and resid 127 and name HE% ) ( segid " " and resid 93 and name HD2%) 2.700 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.35648E-02 ppm1 6.633 ppm2 0.951 CV 1 OR { 7} ( segid " " and resid 127 and name HE% ) ( segid " " and resid 93 and name HD1%) ASSI { 8} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 113 and name HB2 )) 2.100 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.92504E-02 ppm1 7.826 ppm2 1.888 CV 1 ASSI { 15} ( segid " " and resid 19 and name HD% ) ( segid " " and resid 68 and name HD1%) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.35168E-02 ppm1 7.050 ppm2 0.321 CV 1 ASSI { 18} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 68 and name HG )) 3.900 1.900 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.23487E-02 ppm1 7.054 ppm2 1.643 CV 1 ASSI { 22} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HB2 )) 2.400 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.46172E-02 ppm1 7.054 ppm2 2.287 CV 1 ASSI { 23} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HB3 )) 2.500 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.36129E-02 ppm1 7.052 ppm2 2.928 CV 1 ASSI { 24} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.14728E-02 ppm1 7.056 ppm2 4.236 CV 1 ASSI { 25} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HA )) 2.900 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.30482E-02 ppm1 7.052 ppm2 4.833 CV 1 ASSI { 26} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 23 and name HB )) 4.400 2.400 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.86312E-03 ppm1 7.061 ppm2 3.905 CV 1 ASSI { 27} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 18 and name HA )) 3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11711E-02 ppm1 7.052 ppm2 5.273 CV 1 ASSI { 28} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name H )) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.27916E-02 ppm1 7.050 ppm2 8.858 CV 1 ASSI { 29} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 20 and name H )) 3.900 1.900 1.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 7.059 ppm2 9.186 CV 1 ASSI { 30} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 26 and name H )) 2.600 0.900 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.50953E-02 ppm1 7.064 ppm2 8.696 CV 1 ASSI { 31} ( segid " " and resid 26 and name HD% ) ( segid " " and resid 26 and name HE% ) 1.800 0.400 0.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.46438E-01 ppm1 7.064 ppm2 6.775 CV 1 ASSI { 33} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 26 and name HA )) 3.300 1.300 1.300 peak 33 spectrum 1 weight 0.10000E+01 volume 0.67221E-02 ppm1 7.064 ppm2 4.359 CV 1 ASSI { 34} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 26 and name HA )) 4.200 2.200 1.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.31542E-02 ppm1 6.779 ppm2 4.351 CV 1 ASSI { 35} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.20086E-02 ppm1 7.065 ppm2 3.909 CV 1 ASSI { 36} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 26 and name HB3 )) 3.900 1.900 1.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.29198E-02 ppm1 6.778 ppm2 3.179 CV 1 ASSI { 37} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 26 and name HB3 )) 2.100 0.600 0.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10807E-01 ppm1 7.064 ppm2 3.181 CV 1 ASSI { 38} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 24 and name HG3 )) 3.500 1.500 1.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.35424E-02 ppm1 6.778 ppm2 2.719 CV 1 ASSI { 39} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 26 and name HB2 )) 2.400 0.700 0.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.94750E-02 ppm1 7.065 ppm2 2.802 CV 1 ASSI { 42} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 26 and name HB2 )) 4.100 2.100 1.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.21851E-02 ppm1 6.776 ppm2 2.797 CV 1 ASSI { 45} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 24 and name HB3 )) 3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.29518E-02 ppm1 6.779 ppm2 1.725 CV 1 OR { 45} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 24 and name HB2 )) ASSI { 46} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 24 and name HB3 )) 2.800 1.000 1.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.32953E-02 ppm1 7.063 ppm2 1.723 CV 1 ASSI { 48} ( segid " " and resid 26 and name HD% ) ( segid " " and resid 25 and name HG1%) 4.300 2.300 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.15754E-02 ppm1 7.058 ppm2 0.755 CV 1 ASSI { 51} ( segid " " and resid 47 and name HD% ) ( segid " " and resid 47 and name HE% ) 2.100 0.500 0.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11346E-01 ppm1 6.698 ppm2 7.082 CV 1 ASSI { 52} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 48 and name H )) 3.600 1.600 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 6.698 ppm2 8.612 CV 1 ASSI { 53} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 83 and name H )) 3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11583E-02 ppm1 6.699 ppm2 8.421 CV 1 ASSI { 55} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 83 and name H )) 3.300 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.11808E-02 ppm1 7.081 ppm2 8.412 CV 1 ASSI { 58} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.18129E-02 ppm1 6.699 ppm2 4.857 CV 1 ASSI { 60} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 42 and name HA3 )) 3.700 1.700 1.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.20022E-02 ppm1 7.076 ppm2 4.076 CV 1 ASSI { 61} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 42 and name HA3 )) 4.400 2.400 1.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 6.697 ppm2 4.075 CV 1 ASSI { 62} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 82 and name HA )) 3.100 1.200 1.200 peak 62 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 6.693 ppm2 4.706 CV 1 ASSI { 63} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 44 and name HA )) 3.400 1.400 1.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.14311E-02 ppm1 6.689 ppm2 4.224 CV 1 ASSI { 64} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 83 and name HA )) 3.100 1.200 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 6.696 ppm2 3.523 CV 1 ASSI { 65} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 43 and name HD3 )) 3.000 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 7.080 ppm2 3.675 CV 1 OR { 65} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 43 and name HD2 )) ASSI { 66} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 47 and name HB2 )) 2.800 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.32824E-02 ppm1 6.700 ppm2 2.551 CV 1 ASSI { 67} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 46 and name HB2 )) 2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.19380E-02 ppm1 6.699 ppm2 2.318 CV 1 ASSI { 70} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 47 and name HB3 )) 2.500 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.38856E-02 ppm1 6.699 ppm2 1.839 CV 1 ASSI { 71} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 83 and name HB3 )) 4.300 2.300 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 6.695 ppm2 1.520 CV 1 ASSI { 72} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 83 and name HD2 )) 3.700 1.700 1.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.16909E-02 ppm1 6.700 ppm2 1.462 CV 1 OR { 72} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 83 and name HD3 )) ASSI { 73} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 83 and name HB2 )) 3.400 1.500 1.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.14118E-02 ppm1 6.701 ppm2 1.344 CV 1 ASSI { 74} ( segid " " and resid 47 and name HD% ) (( segid " " and resid 83 and name HG3 )) 3.000 1.100 1.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.15594E-02 ppm1 6.701 ppm2 0.906 CV 1 ASSI { 75} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 83 and name HG3 )) 3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.18225E-02 ppm1 7.078 ppm2 0.900 CV 1 ASSI { 76} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 50 and name HB3 )) 2.700 0.900 0.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.20792E-02 ppm1 5.493 ppm2 2.153 CV 1 ASSI { 77} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 50 and name HB2 )) 3.000 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 5.501 ppm2 2.410 CV 1 ASSI { 78} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 80 and name HB3 )) 3.000 1.100 1.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.15851E-02 ppm1 5.504 ppm2 1.970 CV 1 OR { 78} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 80 and name HB2 )) ASSI { 81} ( segid " " and resid 50 and name HE% ) (( segid " " and resid 59 and name HA2 )) 4.700 2.700 1.300 peak 81 spectrum 1 weight 0.10000E+01 volume 0.91767E-03 ppm1 6.503 ppm2 3.558 CV 1 ASSI { 83} ( segid " " and resid 50 and name HE% ) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17615E-02 ppm1 6.499 ppm2 3.952 CV 1 ASSI { 85} (( segid " " and resid 50 and name HZ )) (( segid " " and resid 59 and name HA3 )) 3.000 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 6.741 ppm2 3.702 CV 1 ASSI { 86} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 50 and name HA )) 3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.14984E-02 ppm1 5.498 ppm2 4.691 CV 1 ASSI { 88} ( segid " " and resid 50 and name HE% ) ( segid " " and resid 50 and name HD% ) 2.600 0.800 0.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.42996E-02 ppm1 6.499 ppm2 5.492 CV 1 ASSI { 89} (( segid " " and resid 50 and name HZ )) ( segid " " and resid 50 and name HD% ) 4.300 2.300 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.96900E-03 ppm1 6.738 ppm2 5.489 CV 1 ASSI { 91} (( segid " " and resid 50 and name HZ )) ( segid " " and resid 50 and name HE% ) 2.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.33304E-02 ppm1 6.738 ppm2 6.500 CV 1 ASSI { 94} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 61 and name HD1 )) 3.700 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.80536E-03 ppm1 5.499 ppm2 7.314 CV 1 ASSI { 96} ( segid " " and resid 50 and name HE% ) (( segid " " and resid 181 and name HE )) 3.100 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.14118E-02 ppm1 6.491 ppm2 8.025 CV 1 ASSI { 97} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 51 and name H )) 3.600 1.600 1.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 5.486 ppm2 8.444 CV 1 ASSI { 99} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name H )) 3.000 1.100 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.25508E-02 ppm1 7.326 ppm2 8.458 CV 1 ASSI { 100} (( segid " " and resid 61 and name HH2 )) (( segid " " and resid 61 and name HZ2 )) 2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.20663E-02 ppm1 6.488 ppm2 7.155 CV 1 ASSI { 101} (( segid " " and resid 61 and name HH2 )) (( segid " " and resid 61 and name HZ3 )) 2.800 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.15369E-02 ppm1 6.489 ppm2 6.612 CV 1 ASSI { 102} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 50 and name HE% ) 3.700 1.700 1.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 7.319 ppm2 6.491 CV 1 ASSI { 103} (( segid " " and resid 61 and name HE3 )) (( segid " " and resid 61 and name HZ3 )) 3.000 1.200 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.14022E-02 ppm1 7.515 ppm2 6.610 CV 1 ASSI { 105} (( segid " " and resid 61 and name HZ2 )) (( segid " " and resid 61 and name HZ3 )) 4.400 2.500 1.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.76365E-03 ppm1 7.147 ppm2 6.611 CV 1 ASSI { 106} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 105 and name HA )) 3.000 1.100 1.100 peak 106 spectrum 1 weight 0.10000E+01 volume 0.23776E-02 ppm1 7.330 ppm2 4.152 CV 1 ASSI { 107} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HA )) 3.700 1.700 1.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.11711E-02 ppm1 7.325 ppm2 4.477 CV 1 ASSI { 110} (( segid " " and resid 61 and name HZ2 )) (( segid " " and resid 84 and name HA )) 3.700 1.700 1.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10909E-02 ppm1 7.155 ppm2 3.695 CV 1 ASSI { 111} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HB2 )) 2.900 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.15851E-02 ppm1 7.327 ppm2 3.013 CV 1 ASSI { 112} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HB3 )) 3.900 1.900 1.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.15947E-02 ppm1 7.332 ppm2 3.164 CV 1 ASSI { 114} (( segid " " and resid 61 and name HZ2 )) (( segid " " and resid 104 and name HB3 )) 3.400 1.500 1.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.80215E-03 ppm1 7.155 ppm2 2.448 CV 1 ASSI { 115} (( segid " " and resid 61 and name HH2 )) (( segid " " and resid 50 and name HB2 )) 3.700 1.700 1.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.65136E-03 ppm1 6.482 ppm2 2.415 CV 1 ASSI { 117} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 105 and name HB3 )) 3.600 1.600 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 7.330 ppm2 2.413 CV 1 ASSI { 118} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 104 and name HB3 )) 3.800 1.800 1.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11455E-02 ppm1 7.328 ppm2 2.446 CV 1 ASSI { 119} (( segid " " and resid 61 and name HZ2 )) (( segid " " and resid 82 and name HB2 )) 4.900 3.000 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 7.153 ppm2 1.473 CV 1 OR { 119} (( segid " " and resid 61 and name HZ2 )) (( segid " " and resid 82 and name HG2 )) ASSI { 120} (( segid " " and resid 61 and name HH2 )) (( segid " " and resid 82 and name HG3 )) 2.600 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.11840E-02 ppm1 6.485 ppm2 1.500 CV 1 ASSI { 121} (( segid " " and resid 61 and name HH2 )) (( segid " " and resid 82 and name HB3 )) 5.200 3.400 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.82782E-03 ppm1 6.489 ppm2 1.679 CV 1 ASSI { 122} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HD2 )) 4.400 2.400 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 6.059 ppm2 0.493 CV 1 ASSI { 123} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HD3 )) 5.000 3.200 1.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.95938E-03 ppm1 6.056 ppm2 0.849 CV 1 ASSI { 124} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HG3 )) 2.600 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17808E-02 ppm1 6.057 ppm2 0.984 CV 1 OR { 124} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HG2 )) ASSI { 125} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 66 and name HG3 )) 3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.17808E-02 ppm1 6.540 ppm2 0.989 CV 1 OR { 125} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 66 and name HG2 )) ASSI { 126} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 66 and name HD3 )) 4.700 2.700 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 6.536 ppm2 0.840 CV 1 ASSI { 128} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HB3 )) 4.500 2.500 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13027E-02 ppm1 6.059 ppm2 1.533 CV 1 ASSI { 129} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HE3 )) 4.300 2.300 1.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.19219E-02 ppm1 6.059 ppm2 2.239 CV 1 ASSI { 130} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HB2 )) 3.400 1.500 1.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.90162E-03 ppm1 6.060 ppm2 2.043 CV 1 ASSI { 131} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 70 and name HB2 )) 4.100 2.100 1.900 peak 131 spectrum 1 weight 0.10000E+01 volume 0.20054E-02 ppm1 6.536 ppm2 2.828 CV 1 ASSI { 132} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 70 and name HB2 )) 2.500 0.800 0.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.49348E-02 ppm1 6.056 ppm2 2.824 CV 1 ASSI { 133} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 70 and name HB3 )) 3.900 1.900 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.23808E-02 ppm1 6.533 ppm2 3.103 CV 1 ASSI { 134} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 70 and name HB3 )) 2.300 0.700 0.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.48867E-02 ppm1 6.058 ppm2 3.103 CV 1 ASSI { 135} ( segid " " and resid 70 and name HE% ) (( segid " " and resid 70 and name HA )) 4.100 2.100 1.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.23230E-02 ppm1 6.533 ppm2 3.921 CV 1 ASSI { 136} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 70 and name HA )) 2.700 0.900 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.55413E-02 ppm1 6.056 ppm2 3.922 CV 1 ASSI { 137} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 66 and name HA )) 4.600 2.600 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 6.055 ppm2 4.386 CV 1 ASSI { 138} ( segid " " and resid 70 and name HE% ) ( segid " " and resid 70 and name HD% ) 2.000 0.500 0.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.20513E-01 ppm1 6.535 ppm2 6.060 CV 1 ASSI { 140} ( segid " " and resid 70 and name HD% ) ( segid " " and resid 71 and name HE% ) 4.100 2.100 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.16236E-02 ppm1 6.057 ppm2 6.851 CV 1 ASSI { 141} ( segid " " and resid 70 and name HE% ) ( segid " " and resid 71 and name HE% ) 3.600 1.600 1.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.17744E-02 ppm1 6.536 ppm2 6.847 CV 1 ASSI { 142} ( segid " " and resid 70 and name HE% ) ( segid " " and resid 71 and name HD% ) 4.100 2.100 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10877E-02 ppm1 6.533 ppm2 7.233 CV 1 ASSI { 143} ( segid " " and resid 70 and name HD% ) ( segid " " and resid 71 and name HD% ) 3.300 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.12802E-02 ppm1 6.056 ppm2 7.229 CV 1 ASSI { 144} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 71 and name H )) 3.300 1.400 1.400 peak 144 spectrum 1 weight 0.10000E+01 volume 0.14471E-02 ppm1 6.058 ppm2 7.553 CV 1 ASSI { 145} ( segid " " and resid 70 and name HD% ) (( segid " " and resid 70 and name H )) 3.700 1.700 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.31444E-02 ppm1 6.056 ppm2 7.892 CV 1 ASSI { 148} ( segid " " and resid 71 and name HD% ) ( segid " " and resid 71 and name HE% ) 2.900 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.15979E-02 ppm1 7.231 ppm2 6.844 CV 1 ASSI { 152} ( segid " " and resid 71 and name HD% ) (( segid " " and resid 71 and name HB2 )) 3.000 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.10717E-02 ppm1 7.241 ppm2 2.665 CV 1 ASSI { 153} ( segid " " and resid 71 and name HD% ) ( segid " " and resid 60 and name HD1%) 3.100 1.200 1.200 peak 153 spectrum 1 weight 0.10000E+01 volume 0.16557E-02 ppm1 7.222 ppm2 0.818 CV 1 ASSI { 154} ( segid " " and resid 81 and name HE% ) ( segid " " and resid 32 and name HD1%) 3.600 1.700 1.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.13027E-02 ppm1 6.303 ppm2 0.096 CV 1 ASSI { 156} ( segid " " and resid 81 and name HE% ) ( segid " " and resid 32 and name HG2%) 2.500 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.28813E-02 ppm1 6.303 ppm2 0.725 CV 1 ASSI { 157} ( segid " " and resid 81 and name HE% ) ( segid " " and resid 49 and name HD2%) 2.700 0.900 0.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.22845E-02 ppm1 6.306 ppm2 0.855 CV 1 ASSI { 159} ( segid " " and resid 81 and name HD% ) ( segid " " and resid 32 and name HG2%) 2.300 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.55349E-02 ppm1 6.812 ppm2 0.719 CV 1 ASSI { 162} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 47 and name HB3 )) 2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.16300E-02 ppm1 6.308 ppm2 1.823 CV 1 ASSI { 163} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 32 and name HB )) 3.400 1.400 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.18225E-02 ppm1 6.806 ppm2 1.561 CV 1 ASSI { 164} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 33 and name HB2 )) 2.400 2.400 3.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 6.305 ppm2 1.707 CV 1 ASSI { 165} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 81 and name HB2 )) 4.200 2.200 1.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 6.308 ppm2 2.429 CV 1 ASSI { 166} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 81 and name HB2 )) 2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 6.806 ppm2 2.432 CV 1 ASSI { 167} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 29 and name HB2 )) 3.200 1.300 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 6.305 ppm2 2.968 CV 1 ASSI { 168} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 29 and name HB3 )) 3.800 1.800 1.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.14984E-02 ppm1 6.310 ppm2 3.213 CV 1 ASSI { 169} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 81 and name HB3 )) 2.700 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.28748E-02 ppm1 6.809 ppm2 3.101 CV 1 ASSI { 170} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 39 and name HA )) 3.300 1.400 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.15883E-02 ppm1 6.308 ppm2 3.986 CV 1 ASSI { 171} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 29 and name HA )) 2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.18738E-02 ppm1 6.309 ppm2 3.930 CV 1 ASSI { 173} ( segid " " and resid 81 and name HE% ) (( segid " " and resid 82 and name HA )) 2.300 2.300 3.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.15273E-02 ppm1 6.305 ppm2 4.696 CV 1 ASSI { 176} ( segid " " and resid 81 and name HE% ) ( segid " " and resid 47 and name HD% ) 2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.20567E-02 ppm1 6.308 ppm2 6.702 CV 1 ASSI { 177} ( segid " " and resid 81 and name HE% ) ( segid " " and resid 81 and name HD% ) 2.000 0.500 0.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.10588E-01 ppm1 6.303 ppm2 6.809 CV 1 ASSI { 178} ( segid " " and resid 81 and name HD% ) ( segid " " and resid 47 and name HD% ) 2.800 1.000 1.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.22428E-02 ppm1 6.809 ppm2 6.699 CV 1 ASSI { 180} ( segid " " and resid 81 and name HE% ) ( segid " " and resid 47 and name HE% ) 4.400 2.500 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.82141E-03 ppm1 6.305 ppm2 7.089 CV 1 ASSI { 182} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 82 and name H )) 3.400 1.400 1.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.14824E-02 ppm1 6.809 ppm2 8.676 CV 1 ASSI { 183} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name H )) 2.900 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.15979E-02 ppm1 7.067 ppm2 7.673 CV 1 ASSI { 184} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HE1 )) 4.500 2.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.73478E-03 ppm1 7.064 ppm2 7.830 CV 1 ASSI { 185} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 125 and name H )) 3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.97541E-03 ppm1 7.066 ppm2 7.980 CV 1 ASSI { 187} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HA )) 3.900 1.900 1.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.15080E-02 ppm1 7.061 ppm2 4.384 CV 1 ASSI { 188} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 125 and name HA )) 3.400 1.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.15273E-02 ppm1 7.822 ppm2 4.423 CV 1 ASSI { 189} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 109 and name HB )) 4.600 2.600 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10364E-02 ppm1 7.820 ppm2 3.983 CV 1 ASSI { 190} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 109 and name HA )) 3.800 1.800 1.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.82782E-03 ppm1 7.817 ppm2 3.823 CV 1 ASSI { 191} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HB2 )) 3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.15658E-02 ppm1 7.067 ppm2 2.926 CV 1 ASSI { 192} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HB3 )) 3.000 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.15947E-02 ppm1 7.069 ppm2 3.052 CV 1 ASSI { 193} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 113 and name HG3 )) 3.200 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.11904E-02 ppm1 7.063 ppm2 2.288 CV 1 ASSI { 194} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 113 and name HG2 )) 4.300 2.300 1.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.14439E-02 ppm1 7.064 ppm2 1.733 CV 1 OR { 194} (( segid " " and resid 124 and name HD2 )) ( segid " " and resid 113 and name HE% ) ASSI { 195} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 113 and name HB2 )) 3.500 1.500 1.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.20760E-02 ppm1 7.066 ppm2 1.888 CV 1 ASSI { 196} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 125 and name HB2 )) 4.400 2.400 1.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.81500E-03 ppm1 7.066 ppm2 2.433 CV 1 ASSI { 197} (( segid " " and resid 188 and name HE1 )) (( segid " " and resid 186 and name HG3 )) 2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.49637E-02 ppm1 7.822 ppm2 2.385 CV 1 ASSI { 198} (( segid " " and resid 188 and name HE1 )) (( segid " " and resid 186 and name HB2 )) 2.700 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.80440E-02 ppm1 7.820 ppm2 2.159 CV 1 ASSI { 199} (( segid " " and resid 188 and name HE1 )) (( segid " " and resid 186 and name HB3 )) 2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.58941E-02 ppm1 7.821 ppm2 1.658 CV 1 ASSI { 200} (( segid " " and resid 124 and name HD2 )) ( segid " " and resid 109 and name HG2%) 4.500 2.600 1.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.11423E-02 ppm1 7.066 ppm2 1.196 CV 1 ASSI { 201} (( segid " " and resid 124 and name HE1 )) ( segid " " and resid 109 and name HG2%) 3.200 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 7.827 ppm2 1.201 CV 1 ASSI { 203} ( segid " " and resid 127 and name HD% ) (( segid " " and resid 194 and name H )) 3.600 1.600 1.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.92088E-03 ppm1 6.860 ppm2 8.643 CV 1 ASSI { 205} ( segid " " and resid 199 and name HE% ) (( segid " " and resid 199 and name H )) 4.300 2.300 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.14471E-02 ppm1 6.621 ppm2 7.822 CV 1 ASSI { 207} ( segid " " and resid 127 and name HE% ) (( segid " " and resid 126 and name H )) 3.200 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.13893E-02 ppm1 6.626 ppm2 7.662 CV 1 ASSI { 208} ( segid " " and resid 127 and name HE% ) ( segid " " and resid 127 and name HD% ) 2.200 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.87211E-02 ppm1 6.631 ppm2 6.859 CV 1 ASSI { 210} ( segid " " and resid 127 and name HD% ) (( segid " " and resid 127 and name HA )) 3.400 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.69627E-03 ppm1 6.857 ppm2 4.717 CV 1 ASSI { 211} ( segid " " and resid 127 and name HE% ) (( segid " " and resid 127 and name HA )) 3.900 1.900 1.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.21113E-02 ppm1 6.618 ppm2 4.713 CV 1 ASSI { 214} ( segid " " and resid 199 and name HE% ) (( segid " " and resid 126 and name HA )) 4.300 2.400 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 6.613 ppm2 4.157 CV 1 ASSI { 215} ( segid " " and resid 127 and name HD% ) (( segid " " and resid 127 and name HB3 )) 2.600 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.29358E-02 ppm1 6.860 ppm2 2.794 CV 1 OR { 215} ( segid " " and resid 127 and name HD% ) (( segid " " and resid 127 and name HB2 )) ASSI { 216} ( segid " " and resid 127 and name HE% ) (( segid " " and resid 116 and name HB3 )) 3.300 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.26727E-02 ppm1 6.623 ppm2 2.794 CV 1 ASSI { 217} ( segid " " and resid 127 and name HD% ) (( segid " " and resid 126 and name HB2 )) 3.600 1.600 1.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.86953E-03 ppm1 6.860 ppm2 1.824 CV 1 ASSI { 218} ( segid " " and resid 127 and name HD% ) (( segid " " and resid 193 and name HG )) 3.700 1.700 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 6.860 ppm2 1.386 CV 1 ASSI { 221} ( segid " " and resid 127 and name HE% ) (( segid " " and resid 121 and name HB )) 4.100 2.100 1.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.12353E-02 ppm1 6.639 ppm2 1.203 CV 1 ASSI { 222} ( segid " " and resid 127 and name HE% ) (( segid " " and resid 112 and name HG )) 3.900 1.900 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.13604E-02 ppm1 6.639 ppm2 1.497 CV 1 ASSI { 225} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 173 and name HB3 )) 3.400 1.500 1.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.31573E-02 ppm1 7.254 ppm2 3.530 CV 1 ASSI { 226} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 173 and name HB2 )) 2.500 0.800 0.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.41391E-02 ppm1 7.256 ppm2 2.996 CV 1 ASSI { 228} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 172 and name HA )) 4.000 2.000 2.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13829E-02 ppm1 7.258 ppm2 4.747 CV 1 ASSI { 229} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 173 and name HA )) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.15369E-02 ppm1 7.252 ppm2 4.655 CV 1 ASSI { 230} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 173 and name H )) 2.400 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.60835E-02 ppm1 7.254 ppm2 7.673 CV 1 ASSI { 231} (( segid " " and resid 173 and name HE3 )) (( segid " " and resid 173 and name HZ3 )) 2.900 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.22492E-02 ppm1 7.562 ppm2 6.718 CV 1 ASSI { 233} (( segid " " and resid 173 and name HH2 )) (( segid " " and resid 173 and name HZ3 )) 2.800 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.23070E-02 ppm1 6.856 ppm2 6.710 CV 1 ASSI { 234} (( segid " " and resid 173 and name HZ2 )) (( segid " " and resid 173 and name HH2 )) 2.600 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.47007E-02 ppm1 7.333 ppm2 6.849 CV 1 ASSI { 235} (( segid " " and resid 173 and name HZ2 )) (( segid " " and resid 173 and name HZ3 )) 4.400 2.400 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 7.328 ppm2 6.724 CV 1 ASSI { 239} (( segid " " and resid 173 and name HZ2 )) (( segid " " and resid 194 and name HG3 )) 3.600 1.600 1.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.99146E-03 ppm1 7.329 ppm2 1.422 CV 1 ASSI { 241} (( segid " " and resid 176 and name HD2 )) (( segid " " and resid 108 and name HB )) 4.100 2.100 1.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.86953E-03 ppm1 6.918 ppm2 2.292 CV 1 ASSI { 242} (( segid " " and resid 176 and name HD2 )) (( segid " " and resid 176 and name HB3 )) 4.100 2.100 1.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.12385E-02 ppm1 6.907 ppm2 3.501 CV 1 ASSI { 243} (( segid " " and resid 176 and name HD2 )) (( segid " " and resid 176 and name HB2 )) 3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.12642E-02 ppm1 6.912 ppm2 2.992 CV 1 ASSI { 244} (( segid " " and resid 176 and name HE1 )) (( segid " " and resid 128 and name HB2 )) 4.200 2.200 1.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.28942E-02 ppm1 8.028 ppm2 3.650 CV 1 ASSI { 245} (( segid " " and resid 176 and name HE1 )) (( segid " " and resid 112 and name HB2 )) 2.600 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 8.028 ppm2 1.647 CV 1 ASSI { 246} (( segid " " and resid 176 and name HE1 )) (( segid " " and resid 112 and name HG )) 4.300 2.300 1.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.16075E-02 ppm1 8.028 ppm2 1.491 CV 1 ASSI { 247} (( segid " " and resid 176 and name HE1 )) ( segid " " and resid 108 and name HG2%) 2.400 2.400 3.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 8.026 ppm2 0.899 CV 1 ASSI { 248} (( segid " " and resid 176 and name HE1 )) ( segid " " and resid 112 and name HD1%) 2.600 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.41585E-02 ppm1 8.025 ppm2 0.737 CV 1 ASSI { 249} (( segid " " and resid 176 and name HE1 )) ( segid " " and resid 112 and name HD2%) 2.000 0.500 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.66803E-02 ppm1 8.026 ppm2 0.680 CV 1 ASSI { 250} (( segid " " and resid 176 and name HE1 )) ( segid " " and resid 108 and name HG1%) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.16909E-02 ppm1 8.028 ppm2 0.485 CV 1 ASSI { 251} (( segid " " and resid 176 and name HD2 )) ( segid " " and resid 112 and name HD1%) 4.300 2.300 1.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.14567E-02 ppm1 6.907 ppm2 0.750 CV 1 ASSI { 253} (( segid " " and resid 176 and name HD2 )) ( segid " " and resid 112 and name HD2%) 4.000 2.000 2.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17455E-02 ppm1 6.912 ppm2 0.678 CV 1 ASSI { 255} (( segid " " and resid 176 and name HD2 )) (( segid " " and resid 176 and name HA )) 3.700 1.700 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.14728E-02 ppm1 6.909 ppm2 4.254 CV 1 ASSI { 256} (( segid " " and resid 176 and name HD2 )) (( segid " " and resid 175 and name HA )) 3.400 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.13251E-02 ppm1 6.912 ppm2 4.632 CV 1 ASSI { 257} (( segid " " and resid 176 and name HE1 )) (( segid " " and resid 128 and name HA )) 3.500 1.600 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.25059E-02 ppm1 8.027 ppm2 4.634 CV 1 ASSI { 258} (( segid " " and resid 176 and name HE1 )) (( segid " " and resid 176 and name HD2 )) 3.800 1.800 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.10075E-02 ppm1 8.029 ppm2 6.915 CV 1 ASSI { 259} (( segid " " and resid 176 and name HD2 )) (( segid " " and resid 177 and name H )) 2.400 2.400 3.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.12064E-02 ppm1 6.906 ppm2 8.765 CV 1 ASSI { 260} (( segid " " and resid 176 and name HD2 )) (( segid " " and resid 176 and name H )) 3.100 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.18321E-02 ppm1 6.912 ppm2 9.304 CV 1 ASSI { 261} (( segid " " and resid 176 and name HE1 )) (( segid " " and resid 129 and name H )) 3.700 1.700 1.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.20824E-02 ppm1 8.025 ppm2 8.887 CV 1 ASSI { 262} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 188 and name HE1 )) 4.300 2.300 1.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.10492E-02 ppm1 6.985 ppm2 7.828 CV 1 ASSI { 263} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 188 and name HA )) 4.000 2.000 2.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 6.986 ppm2 4.505 CV 1 ASSI { 264} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 189 and name HA )) 3.400 1.500 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.10332E-02 ppm1 6.984 ppm2 3.975 CV 1 ASSI { 265} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 188 and name HB3 )) 3.800 1.800 1.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.22781E-02 ppm1 6.980 ppm2 2.972 CV 1 ASSI { 266} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 188 and name HB2 )) 2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.28782E-02 ppm1 6.984 ppm2 3.232 CV 1 ASSI { 267} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 186 and name HB2 )) 3.500 1.500 1.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.14503E-02 ppm1 6.984 ppm2 2.157 CV 1 ASSI { 268} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 189 and name HB3 )) 3.400 1.400 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 6.984 ppm2 1.852 CV 1 ASSI { 269} (( segid " " and resid 188 and name HD2 )) (( segid " " and resid 186 and name HB3 )) 4.200 2.200 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.10877E-02 ppm1 6.984 ppm2 1.661 CV 1 ASSI { 270} (( segid " " and resid 19 and name HZ )) ( segid " " and resid 8 and name HD1%) 2.700 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.48451E-02 ppm1 6.957 ppm2 0.720 CV 1 OR { 270} (( segid " " and resid 19 and name HZ )) ( segid " " and resid 8 and name HG2%) ASSI { 274} (( segid " " and resid 197 and name HZ )) (( segid " " and resid 196 and name HE2 )) 3.600 1.600 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.12546E-02 ppm1 6.960 ppm2 1.962 CV 1 ASSI { 278} ( segid " " and resid 197 and name HD% ) (( segid " " and resid 197 and name HB2 )) 2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.29358E-02 ppm1 6.998 ppm2 2.425 CV 1 ASSI { 284} ( segid " " and resid 199 and name HD% ) ( segid " " and resid 199 and name HE% ) 1.600 0.300 0.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.71010E-01 ppm1 6.963 ppm2 6.611 CV 1 ASSI { 287} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 201 and name HA )) 2.400 0.700 0.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.85511E-02 ppm1 6.964 ppm2 4.541 CV 1 ASSI { 289} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 126 and name HA )) 4.600 2.700 1.400 peak 289 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 6.965 ppm2 4.160 CV 1 ASSI { 290} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 199 and name HB2 )) 2.200 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.95008E-02 ppm1 6.962 ppm2 2.990 CV 1 ASSI { 291} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 199 and name HB3 )) 2.300 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.12796E-01 ppm1 6.963 ppm2 2.757 CV 1 ASSI { 292} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 197 and name HB2 )) 3.200 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.18995E-02 ppm1 6.961 ppm2 2.427 CV 1 ASSI { 294} ( segid " " and resid 199 and name HE% ) (( segid " " and resid 126 and name HB3 )) 3.000 1.100 1.100 peak 294 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 6.607 ppm2 2.098 CV 1 OR { 294} ( segid " " and resid 199 and name HE% ) (( segid " " and resid 126 and name HG3 )) ASSI { 295} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 126 and name HB3 )) 3.700 1.700 1.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.17840E-02 ppm1 6.964 ppm2 2.095 CV 1 OR { 295} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 126 and name HG3 )) ASSI { 296} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 126 and name HB2 )) 3.800 1.800 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.23455E-02 ppm1 6.963 ppm2 1.815 CV 1 OR { 296} ( segid " " and resid 199 and name HD% ) (( segid " " and resid 126 and name HG2 )) ASSI { 297} ( segid " " and resid 199 and name HE% ) (( segid " " and resid 126 and name HB2 )) 3.400 1.400 1.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.22781E-02 ppm1 6.609 ppm2 1.814 CV 1 OR { 297} ( segid " " and resid 199 and name HE% ) (( segid " " and resid 126 and name HG2 )) ASSI { 298} (( segid " " and resid 188 and name HE1 )) (( segid " " and resid 186 and name H )) 4.500 2.500 1.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.18899E-02 ppm1 7.822 ppm2 8.794 CV 1 ASSI { 299} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 124 and name HB2 )) 4.200 2.200 1.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 7.829 ppm2 2.952 CV 1 ASSI { 300} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 26 and name H )) 4.000 2.000 2.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.16236E-02 ppm1 6.779 ppm2 8.696 CV 1 ASSI { 301} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 171 and name HB2 )) 2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.14118E-02 ppm1 7.256 ppm2 1.355 CV 1 ASSI { 302} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 171 and name HB3 )) 3.800 1.800 1.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.94013E-03 ppm1 7.256 ppm2 0.885 CV 1 ASSI { 303} (( segid " " and resid 173 and name HD1 )) ( segid " " and resid 171 and name HD1%) 4.000 2.000 2.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.15112E-02 ppm1 7.252 ppm2 0.678 CV 1 ASSI { 306} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 31 and name HB3 )) 3.700 1.700 1.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.22557E-02 ppm1 7.124 ppm2 2.313 CV 1 ASSI { 308} (( segid " " and resid 188 and name HE1 )) (( segid " " and resid 187 and name H )) 4.400 2.400 1.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 7.826 ppm2 9.139 CV 1 ASSI { 310} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 51 and name HA )) 3.700 1.800 1.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.84707E-03 ppm1 5.495 ppm2 4.436 CV 1 ASSI { 312} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.27306E-02 ppm1 7.120 ppm2 4.230 CV 1 ASSI { 313} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 8 and name HD1%) 2.100 0.500 0.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.85446E-02 ppm1 7.121 ppm2 0.715 CV 1 ASSI { 3} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 190 and name H )) 3.400 1.400 1.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.28774E-02 ppm1 1.839 ppm2 8.629 CV 1 OR { 3} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name H )) ASSI { 7} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HA )) 2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.49389E-02 ppm1 1.836 ppm2 4.075 CV 1 OR { 7} (( segid " " and resid 202 and name HB3 )) (( segid " " and resid 202 and name HA )) ASSI { 16} (( segid " " and resid 202 and name HB2 )) (( segid " " and resid 202 and name HG2 )) 1.800 0.400 0.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.35889E-01 ppm1 2.045 ppm2 2.206 CV 1 OR { 16} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HG2 )) OR { 16} (( segid " " and resid 202 and name HB2 )) (( segid " " and resid 202 and name HG3 )) ASSI { 23} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 106 and name HB3 )) 4.100 2.100 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.26911E-02 ppm1 2.660 ppm2 1.976 CV 1 OR { 23} (( segid " " and resid 169 and name HB3 )) (( segid " " and resid 135 and name HB3 )) ASSI { 24} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 106 and name HB3 )) 3.600 1.600 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.27994E-02 ppm1 2.600 ppm2 1.951 CV 1 OR { 24} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 43 and name HG2 )) ASSI { 25} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 106 and name HB2 )) 3.600 1.600 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.22579E-02 ppm1 2.670 ppm2 1.818 CV 1 OR { 25} (( segid " " and resid 197 and name HB3 )) (( segid " " and resid 126 and name HB2 )) ASSI { 28} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 106 and name HG3 )) 3.900 1.900 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 2.625 ppm2 1.155 CV 1 OR { 28} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 84 and name HB2 )) ASSI { 30} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.300 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10182E-01 ppm1 2.605 ppm2 4.586 CV 1 OR { 30} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HA )) OR { 30} (( segid " " and resid 201 and name HB2 )) (( segid " " and resid 201 and name HA )) ASSI { 31} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 46 and name HA )) 2.200 0.600 0.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.10724E-01 ppm1 2.659 ppm2 4.456 CV 1 OR { 31} (( segid " " and resid 197 and name HB3 )) (( segid " " and resid 197 and name HA )) OR { 31} (( segid " " and resid 169 and name HB3 )) (( segid " " and resid 169 and name HA )) ASSI { 32} (( segid " " and resid 197 and name HB3 )) ( segid " " and resid 199 and name HD% ) 2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.52198E-02 ppm1 2.681 ppm2 7.005 CV 1 OR { 32} (( segid " " and resid 197 and name HB3 )) ( segid " " and resid 197 and name HD% ) OR { 32} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name H )) ASSI { 76} (( segid " " and resid 199 and name HA )) (( segid " " and resid 198 and name HB2 )) 4.000 2.000 2.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.11611E-02 ppm1 4.471 ppm2 2.692 CV 1 OR { 76} (( segid " " and resid 199 and name HA )) (( segid " " and resid 197 and name HB3 )) ASSI { 104} (( segid " " and resid 198 and name HA )) ( segid " " and resid 198 and name HD% ) 2.800 1.000 1.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 4.407 ppm2 6.970 CV 1 OR { 104} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name H )) ASSI { 109} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) 2.600 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.67431E-02 ppm1 4.405 ppm2 2.678 CV 1 OR { 109} (( segid " " and resid 198 and name HA )) (( segid " " and resid 198 and name HB2 )) ASSI { 182} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 120 and name H )) 3.700 1.700 1.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.16892E-02 ppm1 0.820 ppm2 7.552 CV 1 OR { 182} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 71 and name H )) ASSI { 203} (( segid " " and resid 195 and name HG3 )) (( segid " " and resid 195 and name HB2 )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.63234E-02 ppm1 0.818 ppm2 1.206 CV 1 OR { 203} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 121 and name HB )) OR { 203} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HB2 )) OR { 203} (( segid " " and resid 121 and name HG12)) (( segid " " and resid 121 and name HB )) ASSI { 204} (( segid " " and resid 195 and name HG3 )) (( segid " " and resid 195 and name HB2 )) 2.500 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.54331E-02 ppm1 0.785 ppm2 1.209 CV 1 OR { 204} ( segid " " and resid 191 and name HD1%) (( segid " " and resid 191 and name HB3 )) OR { 204} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HB2 )) ASSI { 215} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 82 and name H )) 3.700 1.700 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.11780E-02 ppm1 1.702 ppm2 8.664 CV 1 OR { 215} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 194 and name H )) ASSI { 221} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 82 and name HA )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 1.714 ppm2 4.728 CV 1 OR { 221} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 194 and name HA )) ASSI { 224} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.28536E-02 ppm1 1.446 ppm2 4.722 CV 1 OR { 224} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 194 and name HA )) ASSI { 236} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 82 and name HB2 )) 1.900 0.400 0.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.60965E-02 ppm1 1.708 ppm2 1.456 CV 1 OR { 236} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 194 and name HB2 )) OR { 236} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 194 and name HG3 )) OR { 236} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 194 and name HG2 )) ASSI { 246} (( segid " " and resid 36 and name HG13)) (( segid " " and resid 36 and name HB )) 2.600 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.22782E-02 ppm1 1.479 ppm2 1.885 CV 1 OR { 246} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HB3 )) ASSI { 249} (( segid " " and resid 194 and name HB3 )) ( segid " " and resid 193 and name HD2%) 2.500 2.500 3.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.97492E-03 ppm1 1.710 ppm2 0.713 CV 1 OR { 249} (( segid " " and resid 82 and name HB3 )) ( segid " " and resid 10 and name HD1%) ASSI { 254} (( segid " " and resid 91 and name HD2 )) ( segid " " and resid 190 and name HG2%) 3.400 1.400 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.20717E-02 ppm1 3.004 ppm2 0.953 CV 1 OR { 254} (( segid " " and resid 194 and name HD2 )) ( segid " " and resid 93 and name HD1%) ASSI { 260} (( segid " " and resid 91 and name HD2 )) ( segid " " and resid 192 and name HD2%) 2.400 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.52808E-02 ppm1 2.991 ppm2 0.702 CV 1 OR { 260} (( segid " " and resid 194 and name HD3 )) ( segid " " and resid 192 and name HD1%) ASSI { 265} (( segid " " and resid 16 and name HB )) (( segid " " and resid 16 and name H )) 2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.50743E-02 ppm1 3.871 ppm2 8.597 CV 1 OR { 265} (( segid " " and resid 190 and name HB )) (( segid " " and resid 190 and name H )) ASSI { 276} (( segid " " and resid 16 and name HB )) ( segid " " and resid 16 and name HG2%) 2.300 0.700 0.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10887E-01 ppm1 3.869 ppm2 0.928 CV 1 OR { 276} (( segid " " and resid 190 and name HB )) ( segid " " and resid 190 and name HG2%) ASSI { 301} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 186 and name HB3 )) 2.000 0.500 0.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.46443E-02 ppm1 2.147 ppm2 1.706 CV 1 OR { 301} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HB2 )) OR { 301} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB2 )) ASSI { 303} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB3 )) 2.300 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.73457E-02 ppm1 4.326 ppm2 1.665 CV 1 OR { 303} (( segid " " and resid 186 and name HA )) (( segid " " and resid 186 and name HB3 )) ASSI { 306} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HB3 )) 2.400 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.70850E-02 ppm1 2.403 ppm2 2.055 CV 1 OR { 306} (( segid " " and resid 34 and name HG3 )) (( segid " " and resid 34 and name HB3 )) ASSI { 309} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 187 and name HB3 )) 2.400 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.10108E-01 ppm1 2.209 ppm2 1.914 CV 1 OR { 309} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 187 and name HB2 )) OR { 309} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 182 and name HB2 )) ASSI { 311} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 178 and name HG3 )) 3.800 1.800 1.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 2.208 ppm2 1.485 CV 1 OR { 311} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 86 and name HG2 )) ASSI { 312} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 186 and name HG3 )) 1.700 0.400 0.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.15101E-01 ppm1 2.174 ppm2 2.393 CV 1 OR { 312} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HG3 )) ASSI { 323} (( segid " " and resid 186 and name HA )) (( segid " " and resid 185 and name HA )) 4.000 2.000 2.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 4.331 ppm2 3.836 CV 1 OR { 323} (( segid " " and resid 186 and name HA )) (( segid " " and resid 187 and name HA )) ASSI { 342} (( segid " " and resid 185 and name HB )) (( segid " " and resid 186 and name H )) 3.300 1.300 1.300 peak 342 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 1.692 ppm2 8.808 CV 1 OR { 342} (( segid " " and resid 186 and name HB3 )) (( segid " " and resid 186 and name H )) ASSI { 346} (( segid " " and resid 186 and name HB2 )) (( segid " " and resid 187 and name H )) 3.300 1.300 1.300 peak 346 spectrum 1 weight 0.10000E+01 volume 0.21326E-02 ppm1 2.143 ppm2 9.158 CV 1 OR { 346} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 80 and name H )) ASSI { 349} (( segid " " and resid 187 and name HG3 )) (( segid " " and resid 187 and name H )) 3.500 1.500 1.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.37269E-02 ppm1 2.204 ppm2 9.145 CV 1 OR { 349} (( segid " " and resid 186 and name HG2 )) (( segid " " and resid 187 and name H )) ASSI { 352} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 131 and name HE )) 2.600 0.900 0.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.54129E-02 ppm1 0.707 ppm2 9.033 CV 1 OR { 352} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 8 and name H )) OR { 352} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 131 and name HE )) ASSI { 354} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 90 and name H )) 3.000 1.200 1.200 peak 354 spectrum 1 weight 0.10000E+01 volume 0.53248E-02 ppm1 0.693 ppm2 8.802 CV 1 OR { 354} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 186 and name H )) ASSI { 362} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 114 and name H )) 4.300 2.300 1.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 0.751 ppm2 7.465 CV 1 OR { 362} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 66 and name H )) ASSI { 376} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 114 and name HB )) 2.900 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.22985E-02 ppm1 0.747 ppm2 4.254 CV 1 OR { 376} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 63 and name HA )) ASSI { 389} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 131 and name HD2 )) 3.300 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.16316E-02 ppm1 0.753 ppm2 2.970 CV 1 OR { 389} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 29 and name HB2 )) ASSI { 394} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 111 and name HG2 )) 3.700 1.700 1.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.14217E-02 ppm1 0.698 ppm2 2.556 CV 1 OR { 394} ( segid " " and resid 185 and name HG1%) (( segid " " and resid 183 and name HG3 )) ASSI { 401} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 97 and name HB )) 1.900 0.400 0.400 peak 401 spectrum 1 weight 0.10000E+01 volume 0.27226E-01 ppm1 0.704 ppm2 1.798 CV 1 OR { 401} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HB )) ASSI { 427} (( segid " " and resid 120 and name HA2 )) (( segid " " and resid 120 and name HA3 )) 1.900 0.500 0.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.84459E-02 ppm1 3.673 ppm2 4.044 CV 1 OR { 427} (( segid " " and resid 184 and name HA2 )) (( segid " " and resid 184 and name HA3 )) ASSI { 453} (( segid " " and resid 179 and name HA )) ( segid " " and resid 179 and name HG2%) 3.200 1.300 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.35204E-02 ppm1 4.583 ppm2 1.180 CV 1 OR { 453} (( segid " " and resid 179 and name HA )) ( segid " " and resid 107 and name HG2%) ASSI { 476} (( segid " " and resid 176 and name HA )) (( segid " " and resid 177 and name H )) 3.100 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 4.261 ppm2 8.772 CV 1 OR { 476} (( segid " " and resid 176 and name HA )) (( segid " " and resid 109 and name H )) ASSI { 493} (( segid " " and resid 100 and name HA )) (( segid " " and resid 118 and name HG3 )) 4.900 3.000 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.73796E-03 ppm1 4.261 ppm2 1.741 CV 1 OR { 493} (( segid " " and resid 100 and name HA )) ( segid " " and resid 101 and name HE% ) ASSI { 501} (( segid " " and resid 173 and name HA )) (( segid " " and resid 174 and name H )) 2.500 0.800 0.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.31684E-02 ppm1 4.657 ppm2 8.441 CV 1 OR { 501} (( segid " " and resid 173 and name HA )) (( segid " " and resid 131 and name H )) ASSI { 522} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 67 and name H )) 3.600 1.600 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 2.852 ppm2 8.085 CV 1 OR { 522} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 13 and name H )) ASSI { 528} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 172 and name HA )) 2.600 0.900 0.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.34426E-02 ppm1 2.627 ppm2 4.762 CV 1 OR { 528} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) ASSI { 532} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 132 and name HA )) 3.300 1.300 1.300 peak 532 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 2.836 ppm2 4.139 CV 1 OR { 532} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 171 and name HA )) ASSI { 541} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 131 and name HB3 )) 5.100 3.200 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.93768E-03 ppm1 2.631 ppm2 1.500 CV 1 OR { 541} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 133 and name HG )) ASSI { 544} (( segid " " and resid 172 and name HB3 )) ( segid " " and resid 174 and name HD2%) 3.300 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 2.624 ppm2 0.697 CV 1 OR { 544} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 4 and name HD1%) ASSI { 551} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name H )) 2.300 0.700 0.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.31650E-02 ppm1 4.390 ppm2 8.411 CV 1 OR { 551} (( segid " " and resid 130 and name HA )) (( segid " " and resid 174 and name H )) ASSI { 558} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 131 and name H )) 3.500 1.500 1.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.33782E-02 ppm1 0.227 ppm2 8.416 CV 1 OR { 558} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 174 and name H )) ASSI { 563} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 109 and name H )) 3.100 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.52098E-02 ppm1 0.489 ppm2 8.779 CV 1 OR { 563} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 130 and name H )) ASSI { 565} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 192 and name H )) 3.600 1.600 1.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 0.485 ppm2 9.092 CV 1 OR { 565} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 175 and name H )) ASSI { 569} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 173 and name HZ2 )) 4.300 2.300 1.700 peak 569 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 0.229 ppm2 7.348 CV 1 OR { 569} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 194 and name HE )) ASSI { 575} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 110 and name H )) 4.200 2.200 1.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 0.491 ppm2 7.002 CV 1 OR { 575} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 178 and name H )) ASSI { 595} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 173 and name HB2 )) 3.500 1.600 1.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.36356E-02 ppm1 0.487 ppm2 2.988 CV 1 OR { 595} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 176 and name HB2 )) ASSI { 602} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 194 and name HB2 )) 3.300 1.400 1.400 peak 602 spectrum 1 weight 0.10000E+01 volume 0.57682E-02 ppm1 0.228 ppm2 1.522 CV 1 OR { 602} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 192 and name HB3 )) ASSI { 603} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 194 and name HG2 )) 2.100 0.600 0.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.78502E-02 ppm1 0.227 ppm2 1.427 CV 1 OR { 603} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 192 and name HB2 )) OR { 603} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 194 and name HG3 )) ASSI { 607} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 129 and name HB3 )) 2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.68345E-02 ppm1 0.485 ppm2 1.434 CV 1 OR { 607} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 192 and name HB2 )) ASSI { 609} (( segid " " and resid 130 and name HA )) ( segid " " and resid 174 and name HD2%) 3.700 1.700 1.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 4.384 ppm2 0.675 CV 1 OR { 609} (( segid " " and resid 130 and name HA )) ( segid " " and resid 129 and name HD2%) OR { 609} (( segid " " and resid 130 and name HA )) ( segid " " and resid 174 and name HD1%) ASSI { 621} ( segid " " and resid 108 and name HG1%) ( segid " " and resid 174 and name HD1%) 2.100 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.21536E-01 ppm1 0.487 ppm2 0.694 CV 1 OR { 621} ( segid " " and resid 130 and name HG2%) ( segid " " and resid 192 and name HD1%) ASSI { 637} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 193 and name HA )) 3.400 1.500 1.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 0.636 ppm2 4.876 CV 1 OR { 637} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 191 and name HA )) ASSI { 648} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HG )) 2.100 0.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.12416E-01 ppm1 0.738 ppm2 1.502 CV 1 OR { 648} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB3 )) ASSI { 652} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 129 and name HD2%) 3.500 1.500 1.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.18923E-02 ppm1 1.160 ppm2 0.648 CV 1 OR { 652} (( segid " " and resid 129 and name HB2 )) ( segid " " and resid 174 and name HD1%) ASSI { 657} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 129 and name HD2%) 1.800 0.400 0.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.44311E-01 ppm1 0.741 ppm2 0.649 CV 1 OR { 657} ( segid " " and resid 192 and name HD1%) ( segid " " and resid 192 and name HD2%) ASSI { 669} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 124 and name H )) 3.700 1.700 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 0.490 ppm2 7.677 CV 1 OR { 669} ( segid " " and resid 121 and name HG2%) (( segid " " and resid 126 and name H )) ASSI { 697} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HB )) 2.000 0.500 0.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.17268E-01 ppm1 0.286 ppm2 1.211 CV 1 OR { 697} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 119 and name HG12)) ASSI { 699} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 93 and name HG )) 3.800 1.800 1.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 0.284 ppm2 1.734 CV 1 OR { 699} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 115 and name HB )) ASSI { 700} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HE2 )) 2.300 0.700 0.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.39266E-02 ppm1 0.862 ppm2 2.248 CV 1 OR { 700} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HE3 )) OR { 700} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 63 and name HG3 )) ASSI { 701} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HB2 )) 3.800 1.800 1.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.15030E-02 ppm1 0.858 ppm2 2.039 CV 1 OR { 701} (( segid " " and resid 66 and name HD3 )) ( segid " " and resid 24 and name HE% ) ASSI { 709} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 193 and name HD2%) 2.500 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.10754E-01 ppm1 0.286 ppm2 0.767 CV 1 OR { 709} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 119 and name HG2%) ASSI { 718} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HG12)) 2.600 0.800 0.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.61406E-02 ppm1 4.119 ppm2 0.786 CV 1 OR { 718} (( segid " " and resid -4 and name HA )) ( segid " " and resid -4 and name HG2%) OR { 718} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HG13)) ASSI { 723} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 93 and name H )) 2.700 2.700 3.300 peak 723 spectrum 1 weight 0.10000E+01 volume 0.72442E-03 ppm1 0.585 ppm2 8.527 CV 1 OR { 723} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 115 and name H )) ASSI { 756} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 118 and name HB2 )) 2.100 0.500 0.500 peak 756 spectrum 1 weight 0.10000E+01 volume 0.86456E-02 ppm1 0.592 ppm2 1.952 CV 1 OR { 756} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 119 and name HB )) ASSI { 757} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 98 and name HD3 )) 2.500 0.800 0.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 0.592 ppm2 1.607 CV 1 OR { 757} ( segid " " and resid 119 and name HD1%) (( segid " " and resid 118 and name HG2 )) ASSI { 764} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 119 and name HG2%) 1.900 0.500 0.500 peak 764 spectrum 1 weight 0.10000E+01 volume 0.22362E-01 ppm1 0.592 ppm2 0.756 CV 1 OR { 764} ( segid " " and resid 119 and name HD1%) ( segid " " and resid 115 and name HG2%) ASSI { 795} (( segid " " and resid 116 and name HA )) (( segid " " and resid 119 and name HG12)) 2.600 0.800 0.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.23154E-02 ppm1 3.749 ppm2 1.227 CV 1 OR { 795} (( segid " " and resid 116 and name HA )) (( segid " " and resid 121 and name HB )) ASSI { 798} (( segid " " and resid 116 and name HA )) (( segid " " and resid 119 and name HB )) 4.600 2.600 1.400 peak 798 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 3.761 ppm2 1.913 CV 1 OR { 798} (( segid " " and resid 116 and name HA )) (( segid " " and resid 118 and name HB2 )) ASSI { 818} (( segid " " and resid 115 and name HA )) (( segid " " and resid 118 and name HG3 )) 2.600 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 3.375 ppm2 1.739 CV 1 OR { 818} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB )) ASSI { 821} (( segid " " and resid 115 and name HA )) ( segid " " and resid 115 and name HG2%) 2.200 0.600 0.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.54297E-02 ppm1 3.374 ppm2 0.719 CV 1 OR { 821} (( segid " " and resid 115 and name HA )) ( segid " " and resid 100 and name HG2%) ASSI { 842} (( segid " " and resid 114 and name HA )) (( segid " " and resid 118 and name H )) 4.200 2.200 1.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.91059E-03 ppm1 3.838 ppm2 7.650 CV 1 OR { 842} (( segid " " and resid 114 and name HA )) (( segid " " and resid 113 and name H )) ASSI { 851} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 115 and name H )) 3.000 1.100 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.53418E-02 ppm1 1.147 ppm2 8.505 CV 1 OR { 851} ( segid " " and resid 122 and name HG2%) (( segid " " and resid 122 and name H )) ASSI { 868} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 102 and name HG1%) 2.200 0.600 0.600 peak 868 spectrum 1 weight 0.10000E+01 volume 0.11533E-01 ppm1 1.163 ppm2 0.698 CV 1 OR { 868} ( segid " " and resid 114 and name HG2%) ( segid " " and resid 100 and name HG2%) ASSI { 871} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name H )) 3.000 1.100 1.100 peak 871 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 3.839 ppm2 8.742 CV 1 OR { 871} (( segid " " and resid 180 and name HA )) (( segid " " and resid 181 and name H )) ASSI { 885} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 51 and name H )) 3.500 1.500 1.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.26166E-02 ppm1 0.732 ppm2 8.438 CV 1 OR { 885} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 191 and name H )) ASSI { 892} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 51 and name HA )) 2.300 0.600 0.600 peak 892 spectrum 1 weight 0.10000E+01 volume 0.50607E-02 ppm1 0.728 ppm2 4.413 CV 1 OR { 892} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 901} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 71 and name HB3 )) 3.800 1.800 1.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.29756E-02 ppm1 0.702 ppm2 3.172 CV 1 OR { 901} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 91 and name HD3 )) ASSI { 909} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HB3 )) 4.100 2.100 1.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.81580E-03 ppm1 3.842 ppm2 2.025 CV 1 OR { 909} (( segid " " and resid 180 and name HA )) (( segid " " and resid 183 and name HB3 )) ASSI { 910} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB3 )) 2.800 1.000 1.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.25456E-02 ppm1 3.840 ppm2 1.760 CV 1 OR { 910} (( segid " " and resid 112 and name HA )) (( segid " " and resid 115 and name HB )) ASSI { 911} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.24880E-02 ppm1 3.841 ppm2 1.643 CV 1 OR { 911} (( segid " " and resid 180 and name HA )) (( segid " " and resid 180 and name HG )) ASSI { 921} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 112 and name HG )) 1.800 0.400 0.400 peak 921 spectrum 1 weight 0.10000E+01 volume 0.26980E-01 ppm1 0.743 ppm2 1.494 CV 1 OR { 921} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 49 and name HB2 )) OR { 921} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 51 and name HB3 )) ASSI { 922} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 51 and name HG )) 1.900 0.500 0.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.18676E-01 ppm1 0.728 ppm2 1.301 CV 1 OR { 922} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 49 and name HB3 )) OR { 922} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB3 )) ASSI { 934} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 181 and name H )) 3.100 1.200 1.200 peak 934 spectrum 1 weight 0.10000E+01 volume 0.60187E-02 ppm1 1.205 ppm2 8.766 CV 1 OR { 934} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 109 and name H )) ASSI { 944} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 110 and name HA )) 3.100 1.200 1.200 peak 944 spectrum 1 weight 0.10000E+01 volume 0.52299E-02 ppm1 1.206 ppm2 4.381 CV 1 OR { 944} ( segid " " and resid 179 and name HG2%) (( segid " " and resid 182 and name HA )) ASSI { 965} ( segid " " and resid 109 and name HG2%) ( segid " " and resid 112 and name HD2%) 3.900 1.900 1.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.20412E-02 ppm1 1.196 ppm2 0.636 CV 1 OR { 965} ( segid " " and resid 179 and name HG2%) ( segid " " and resid 180 and name HD2%) ASSI { 977} (( segid " " and resid 108 and name HB )) ( segid " " and resid 107 and name HG2%) 4.500 2.500 1.500 peak 977 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 2.303 ppm2 1.199 CV 1 OR { 977} (( segid " " and resid 108 and name HB )) ( segid " " and resid 109 and name HG2%) ASSI { 986} (( segid " " and resid 108 and name HA )) (( segid " " and resid 109 and name H )) 3.400 1.500 1.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 3.455 ppm2 8.756 CV 1 OR { 986} (( segid " " and resid 108 and name HA )) (( segid " " and resid 112 and name H )) ASSI { 990} (( segid " " and resid 108 and name HB )) (( segid " " and resid 109 and name H )) 3.100 1.200 1.200 peak 990 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 2.312 ppm2 8.770 CV 1 OR { 990} (( segid " " and resid 108 and name HB )) (( segid " " and resid 177 and name H )) ASSI { 993} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 177 and name H )) 3.500 1.500 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.25929E-02 ppm1 0.931 ppm2 8.763 CV 1 OR { 993} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 109 and name H )) ASSI { 1004} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 107 and name HA )) 3.700 1.700 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.27319E-02 ppm1 0.932 ppm2 3.799 CV 1 OR { 1004} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 109 and name HA )) ASSI { 1005} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 176 and name HB2 )) 5.200 3.400 0.800 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 0.931 ppm2 3.042 CV 1 OR { 1005} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 131 and name HD3 )) ASSI { 1006} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 92 and name HG3 )) 3.600 1.600 1.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 0.929 ppm2 2.572 CV 1 OR { 1006} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 183 and name HG3 )) ASSI { 1014} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 109 and name H )) 3.800 1.800 1.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.25929E-02 ppm1 1.208 ppm2 8.768 CV 1 OR { 1014} ( segid " " and resid 107 and name HG2%) (( segid " " and resid 177 and name H )) ASSI { 1047} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 114 and name HB )) 3.700 1.700 1.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 0.731 ppm2 4.245 CV 1 OR { 1047} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 100 and name HA )) ASSI { 1064} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG12)) 1.800 0.400 0.400 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.24823E-01 ppm1 0.635 ppm2 1.244 CV 1 OR { 1064} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HG13)) OR { 1064} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 191 and name HB3 )) ASSI { 1065} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HG13)) 1.800 0.400 0.400 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.20619E-01 ppm1 0.634 ppm2 1.084 CV 1 OR { 1065} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 90 and name HG12)) ASSI { 1075} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 100 and name HB )) 2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.34325E-02 ppm1 1.253 ppm2 1.588 CV 1 OR { 1075} (( segid " " and resid 100 and name HG12)) (( segid " " and resid 118 and name HG2 )) ASSI { 1092} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HA )) 3.200 1.300 1.300 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.61440E-02 ppm1 0.635 ppm2 4.272 CV 1 OR { 1092} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 114 and name HB )) ASSI { 1098} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 101 and name HA )) 3.200 1.300 1.300 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.32767E-02 ppm1 0.634 ppm2 4.904 CV 1 OR { 1098} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 191 and name HA )) ASSI { 1118} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name H )) 2.500 0.800 0.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.35713E-02 ppm1 4.935 ppm2 9.164 CV 1 OR { 1118} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name H )) ASSI { 1126} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HA )) 2.300 0.700 0.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.95290E-02 ppm1 0.927 ppm2 4.948 CV 1 OR { 1126} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HA )) ASSI { 1128} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 87 and name HA )) 2.600 0.900 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.58866E-02 ppm1 0.906 ppm2 4.631 CV 1 OR { 1128} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 89 and name HA )) ASSI { 1147} (( segid " " and resid 97 and name HA )) (( segid " " and resid 91 and name HG3 )) 3.900 1.900 1.900 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.80905E-03 ppm1 4.857 ppm2 1.361 CV 1 OR { 1147} (( segid " " and resid 97 and name HA )) (( segid " " and resid 91 and name HB2 )) OR { 1147} (( segid " " and resid 97 and name HA )) (( segid " " and resid 98 and name HG3 )) ASSI { 1161} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 97 and name HA )) 2.800 1.000 1.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.74406E-02 ppm1 0.821 ppm2 4.856 CV 1 OR { 1161} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 91 and name HA )) ASSI { 1166} (( segid " " and resid 97 and name HB )) (( segid " " and resid 97 and name H )) 2.500 0.800 0.800 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.46510E-02 ppm1 1.810 ppm2 8.399 CV 1 OR { 1166} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 191 and name H )) ASSI { 1196} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name H )) 2.200 0.600 0.600 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.61339E-02 ppm1 4.402 ppm2 8.138 CV 1 OR { 1196} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name H )) ASSI { 1223} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 68 and name HD2%) 2.100 0.600 0.600 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.11987E-01 ppm1 0.969 ppm2 0.292 CV 1 OR { 1223} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 121 and name HD1%) ASSI { 1226} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB3 )) 2.500 0.800 0.800 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.44582E-02 ppm1 4.073 ppm2 1.618 CV 1 OR { 1226} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) ASSI { 1236} (( segid " " and resid 66 and name HG3 )) (( segid " " and resid 66 and name HB3 )) 2.400 0.700 0.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.59070E-02 ppm1 0.967 ppm2 1.522 CV 1 OR { 1236} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 49 and name HB2 )) OR { 1236} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HB3 )) ASSI { 1238} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 174 and name HB2 )) 3.600 1.700 1.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 0.960 ppm2 1.267 CV 1 OR { 1238} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 49 and name HB3 )) ASSI { 1248} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 92 and name HG3 )) 3.600 1.600 1.600 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.16553E-02 ppm1 0.971 ppm2 2.608 CV 1 OR { 1248} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 24 and name HG2 )) ASSI { 1253} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 63 and name HB2 )) 3.800 1.800 1.800 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.26166E-02 ppm1 0.970 ppm2 1.913 CV 1 OR { 1253} ( segid " " and resid 93 and name HD2%) ( segid " " and resid 92 and name HE% ) ASSI { 1258} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 62 and name HA )) 3.000 1.200 1.200 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.53958E-02 ppm1 0.976 ppm2 3.909 CV 1 OR { 1258} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 64 and name HA )) ASSI { 1278} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 68 and name H )) 3.500 1.500 1.500 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.15775E-02 ppm1 0.975 ppm2 8.348 CV 1 OR { 1278} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 68 and name H )) ASSI { 1296} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 193 and name HA )) 3.300 1.300 1.300 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.23933E-02 ppm1 0.640 ppm2 4.874 CV 1 OR { 1296} ( segid " " and resid 90 and name HG2%) (( segid " " and resid 97 and name HA )) ASSI { 1308} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 15 and name HB2 )) 1.900 0.400 0.400 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.12305E-01 ppm1 0.662 ppm2 1.478 CV 1 OR { 1308} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HG13)) ASSI { 1313} (( segid " " and resid 90 and name HA )) (( segid " " and resid 191 and name HB2 )) 2.900 1.100 1.100 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.15538E-02 ppm1 5.055 ppm2 1.652 CV 1 OR { 1313} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HB )) ASSI { 1363} (( segid " " and resid 76 and name HA3 )) (( segid " " and resid 75 and name HA )) 4.000 2.000 2.000 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 4.256 ppm2 4.720 CV 1 OR { 1363} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 43 and name HA )) ASSI { 1369} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name H )) 2.600 0.800 0.800 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 2.696 ppm2 7.537 CV 1 OR { 1369} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HD21)) ASSI { 1392} (( segid " " and resid 1 and name HA )) (( segid " " and resid 0 and name HB )) 4.200 2.200 1.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 4.377 ppm2 4.092 CV 1 OR { 1392} (( segid " " and resid 69 and name HA )) (( segid " " and resid 21 and name HA )) ASSI { 1393} (( segid " " and resid 69 and name HA )) (( segid " " and resid 68 and name HA )) 3.800 1.800 1.800 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 4.370 ppm2 3.920 CV 1 OR { 1393} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HA )) ASSI { 1410} (( segid " " and resid 180 and name HB2 )) ( segid " " and resid 180 and name HD1%) 3.100 1.200 1.200 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 1.928 ppm2 0.726 CV 1 OR { 1410} (( segid " " and resid 180 and name HB2 )) ( segid " " and resid 185 and name HG2%) ASSI { 1415} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 6 and name HD1%) 2.500 0.800 0.800 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.55584E-02 ppm1 0.327 ppm2 0.709 CV 1 OR { 1415} ( segid " " and resid 68 and name HD1%) ( segid " " and resid 49 and name HD1%) ASSI { 1417} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 25 and name HG2%) 2.300 0.600 0.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.10792E-01 ppm1 0.295 ppm2 0.986 CV 1 OR { 1417} ( segid " " and resid 68 and name HD2%) ( segid " " and resid 28 and name HB% ) ASSI { 1433} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HG )) 2.900 1.000 1.000 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 1.929 ppm2 1.677 CV 1 OR { 1433} (( segid " " and resid 180 and name HB2 )) (( segid " " and resid 180 and name HG )) ASSI { 1463} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 67 and name H )) 2.200 0.600 0.600 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.11357E-01 ppm1 1.394 ppm2 8.130 CV 1 OR { 1463} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 69 and name H )) ASSI { 1481} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 24 and name HG3 )) 3.300 1.300 1.300 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.18923E-02 ppm1 1.393 ppm2 2.755 CV 1 OR { 1481} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 69 and name HB2 )) ASSI { 1494} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HG2 )) 3.400 1.400 1.400 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 4.872 ppm2 0.974 CV 1 OR { 1494} (( segid " " and resid 67 and name HA )) ( segid " " and resid 25 and name HG2%) ASSI { 1502} (( segid " " and resid 65 and name HA2 )) ( segid " " and resid 64 and name HB% ) 4.000 2.000 2.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.82257E-03 ppm1 3.594 ppm2 1.520 CV 1 OR { 1502} (( segid " " and resid 65 and name HA2 )) (( segid " " and resid 66 and name HB3 )) ASSI { 1509} ( segid " " and resid 64 and name HB% ) ( segid " " and resid 24 and name HE% ) 4.200 2.200 1.800 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.24610E-02 ppm1 1.519 ppm2 2.040 CV 1 OR { 1509} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 63 and name HB3 )) ASSI { 1520} (( segid " " and resid 64 and name HA )) (( segid " " and resid 26 and name HA )) 4.400 2.400 1.600 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.76843E-03 ppm1 3.910 ppm2 4.380 CV 1 OR { 1520} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HA3 )) ASSI { 1538} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 51 and name H )) 3.500 1.500 1.500 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 -0.161 ppm2 8.470 CV 1 OR { 1538} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 63 and name H )) ASSI { 1559} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.48002E-02 ppm1 0.403 ppm2 3.888 CV 1 OR { 1559} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HA )) ASSI { 1571} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 49 and name HG )) 4.100 2.100 1.900 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.21225E-02 ppm1 0.403 ppm2 1.786 CV 1 OR { 1571} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 79 and name HB3 )) ASSI { 1572} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 79 and name HB2 )) 4.100 2.100 1.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.15910E-02 ppm1 0.403 ppm2 1.695 CV 1 OR { 1572} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 68 and name HG )) ASSI { 1573} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HB3 )) 2.200 0.600 0.600 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.11310E-01 ppm1 0.403 ppm2 1.478 CV 1 OR { 1573} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 79 and name HE% ) ASSI { 1575} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 62 and name HB3 )) 2.300 0.700 0.700 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.86252E-02 ppm1 -0.161 ppm2 1.480 CV 1 OR { 1575} ( segid " " and resid 62 and name HD2%) (( segid " " and resid 51 and name HB3 )) ASSI { 1583} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 51 and name HB2 )) 2.300 0.600 0.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.10859E-01 ppm1 0.402 ppm2 0.972 CV 1 OR { 1583} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 25 and name HG2%) ASSI { 1584} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 49 and name HD1%) 2.400 0.700 0.700 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.19326E-01 ppm1 0.403 ppm2 0.750 CV 1 OR { 1584} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 51 and name HD1%) ASSI { 1585} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HG )) 2.000 0.500 0.500 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.12132E-01 ppm1 0.403 ppm2 0.684 CV 1 OR { 1585} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 49 and name HD1%) ASSI { 1586} (( segid " " and resid 62 and name HB3 )) ( segid " " and resid 49 and name HD1%) 4.400 2.400 1.600 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 1.441 ppm2 0.750 CV 1 OR { 1586} (( segid " " and resid 62 and name HB3 )) ( segid " " and resid 25 and name HG1%) ASSI { 1600} (( segid " " and resid 180 and name HB3 )) ( segid " " and resid 180 and name HD1%) 2.800 1.000 1.000 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 1.173 ppm2 0.746 CV 1 OR { 1600} (( segid " " and resid 180 and name HB3 )) ( segid " " and resid 185 and name HG2%) ASSI { 1606} (( segid " " and resid 62 and name HG )) (( segid " " and resid 51 and name HB2 )) 3.000 1.200 1.200 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 0.675 ppm2 0.973 CV 1 OR { 1606} (( segid " " and resid 62 and name HG )) ( segid " " and resid 25 and name HG2%) ASSI { 1611} (( segid " " and resid 60 and name HB )) (( segid " " and resid 62 and name H )) 4.400 2.400 1.600 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 1.545 ppm2 8.797 CV 1 OR { 1611} (( segid " " and resid 192 and name HB3 )) (( segid " " and resid 130 and name H )) ASSI { 1613} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 51 and name H )) 3.900 1.900 1.900 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.20988E-02 ppm1 0.833 ppm2 8.454 CV 1 OR { 1613} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name H )) ASSI { 1616} (( segid " " and resid 60 and name HG13)) (( segid " " and resid 51 and name H )) 3.400 1.500 1.500 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.14962E-02 ppm1 1.330 ppm2 8.454 CV 1 OR { 1616} (( segid " " and resid 60 and name HG13)) (( segid " " and resid 61 and name H )) ASSI { 1620} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 134 and name H )) 2.000 0.500 0.500 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.45598E-02 ppm1 1.573 ppm2 8.198 CV 1 OR { 1620} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name H )) ASSI { 1624} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 71 and name HD% ) 2.800 1.000 1.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.64960E-02 ppm1 0.834 ppm2 7.231 CV 1 OR { 1624} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name H )) ASSI { 1648} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG13)) 2.500 0.800 0.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.49557E-02 ppm1 1.562 ppm2 1.329 CV 1 OR { 1648} (( segid " " and resid 192 and name HB3 )) (( segid " " and resid 192 and name HG )) ASSI { 1649} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 15 and name HB3 )) 3.700 1.700 1.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 0.904 ppm2 1.680 CV 1 OR { 1649} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 35 and name HG2 )) OR { 1649} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 35 and name HG3 )) ASSI { 1673} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name H )) 3.600 1.600 1.600 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.29009E-02 ppm1 2.458 ppm2 9.273 CV 1 OR { 1673} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 55 and name H )) ASSI { 1674} (( segid " " and resid 55 and name HB3 )) (( segid " " and resid 57 and name H )) 3.100 1.200 1.200 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 2.457 ppm2 8.147 CV 1 OR { 1674} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 78 and name H )) OR { 1674} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 198 and name H )) ASSI { 1705} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name H )) 2.700 0.900 0.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.18381E-02 ppm1 5.436 ppm2 9.131 CV 1 OR { 1705} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name H )) ASSI { 1706} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name H )) 3.900 1.900 1.900 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 1.291 ppm2 9.092 CV 1 OR { 1706} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 50 and name H )) ASSI { 1707} (( segid " " and resid 191 and name HB3 )) (( segid " " and resid 192 and name H )) 3.500 1.600 1.600 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.10663E-02 ppm1 1.256 ppm2 9.096 CV 1 OR { 1707} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name H )) OR { 1707} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 50 and name H )) ASSI { 1708} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 62 and name H )) 4.400 2.400 1.600 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.60254E-03 ppm1 1.287 ppm2 8.832 CV 1 OR { 1708} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 19 and name H )) ASSI { 1711} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name H )) 3.000 1.100 1.100 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 1.522 ppm2 9.092 CV 1 OR { 1711} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name H )) ASSI { 1717} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 60 and name H )) 3.900 1.900 1.900 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.28671E-02 ppm1 0.728 ppm2 7.230 CV 1 OR { 1717} ( segid " " and resid 51 and name HD2%) ( segid " " and resid 71 and name HD% ) ASSI { 1727} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 132 and name HB2 )) 2.600 0.800 0.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.78398E-02 ppm1 0.696 ppm2 1.941 CV 1 OR { 1727} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 170 and name HB3 )) ASSI { 1731} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 49 and name HG )) 2.200 0.600 0.600 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.82699E-02 ppm1 0.869 ppm2 1.780 CV 1 OR { 1731} ( segid " " and resid 49 and name HD2%) (( segid " " and resid 79 and name HB3 )) ASSI { 1735} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HG )) 3.600 1.600 1.600 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.82934E-03 ppm1 1.292 ppm2 1.781 CV 1 OR { 1735} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 74 and name HB2 )) ASSI { 1737} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HB2 )) 1.900 0.400 0.400 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.34292E-02 ppm1 1.287 ppm2 1.488 CV 1 OR { 1737} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 4 and name HG )) ASSI { 1738} (( segid " " and resid 4 and name HB3 )) ( segid " " and resid 6 and name HD2%) 2.400 0.700 0.700 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.22375E-02 ppm1 1.290 ppm2 0.872 CV 1 OR { 1738} (( segid " " and resid 49 and name HB3 )) ( segid " " and resid 49 and name HD2%) ASSI { 1739} (( segid " " and resid 49 and name HB3 )) ( segid " " and resid 49 and name HD1%) 2.400 0.700 0.700 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.64621E-02 ppm1 1.289 ppm2 0.712 CV 1 OR { 1739} (( segid " " and resid 4 and name HB3 )) ( segid " " and resid 4 and name HD2%) OR { 1739} (( segid " " and resid 4 and name HB3 )) ( segid " " and resid 4 and name HD1%) ASSI { 1742} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 49 and name HD1%) 2.700 0.900 0.900 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.22612E-02 ppm1 1.520 ppm2 0.742 CV 1 OR { 1742} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 25 and name HG1%) ASSI { 1743} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 4 and name HD1%) 2.600 0.800 0.800 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.53620E-02 ppm1 1.582 ppm2 0.708 CV 1 OR { 1743} (( segid " " and resid 191 and name HB2 )) ( segid " " and resid 191 and name HD2%) OR { 1743} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 4 and name HD2%) ASSI { 1744} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 49 and name HD1%) 1.800 0.400 0.400 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.29898E-01 ppm1 0.869 ppm2 0.739 CV 1 OR { 1744} ( segid " " and resid 49 and name HD2%) ( segid " " and resid 8 and name HD1%) ASSI { 1767} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 43 and name HB3 )) 4.000 2.000 2.000 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 2.772 ppm2 2.320 CV 1 OR { 1767} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HB2 )) ASSI { 1799} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 172 and name HD21)) 1.900 0.500 0.500 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.59647E-02 ppm1 0.844 ppm2 7.369 CV 1 OR { 1799} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name H )) ASSI { 1803} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H )) 2.300 0.700 0.700 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.57512E-02 ppm1 4.218 ppm2 7.364 CV 1 OR { 1803} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name H )) ASSI { 1805} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name H )) 2.600 0.900 0.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.67668E-02 ppm1 0.736 ppm2 7.367 CV 1 OR { 1805} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 41 and name H )) ASSI { 1806} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 36 and name H )) 2.800 1.000 1.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 1.638 ppm2 7.978 CV 1 OR { 1806} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 36 and name H )) OR { 1806} (( segid " " and resid 181 and name HG3 )) (( segid " " and resid 181 and name HE )) ASSI { 1812} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HA )) 2.400 0.700 0.700 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.17000E-01 ppm1 0.736 ppm2 4.216 CV 1 OR { 1812} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 41 and name HA )) ASSI { 1824} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HB2 )) 2.200 0.600 0.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.14546E-01 ppm1 0.845 ppm2 1.692 CV 1 OR { 1824} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 33 and name HB3 )) ASSI { 1831} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 39 and name HB% ) 3.200 1.300 1.300 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.14793E-02 ppm1 0.845 ppm2 1.132 CV 1 OR { 1831} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 33 and name HG2 )) ASSI { 1835} (( segid " " and resid 73 and name HA )) ( segid " " and resid 73 and name HD2%) 2.900 1.100 1.100 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.68751E-02 ppm1 4.217 ppm2 0.826 CV 1 OR { 1835} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD1%) ASSI { 1840} ( segid " " and resid 39 and name HB% ) ( segid " " and resid 10 and name HD1%) 2.300 0.700 0.700 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.10981E-01 ppm1 1.108 ppm2 0.690 CV 1 OR { 1840} ( segid " " and resid 39 and name HB% ) ( segid " " and resid 32 and name HG2%) ASSI { 1846} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HB2 )) 4.200 2.200 1.800 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.70749E-03 ppm1 4.021 ppm2 1.833 CV 1 OR { 1846} (( segid " " and resid 39 and name HA )) (( segid " " and resid 36 and name HB )) ASSI { 1858} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 19 and name HA )) 3.800 1.800 1.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.16215E-02 ppm1 1.105 ppm2 4.863 CV 1 OR { 1858} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 5 and name HA )) ASSI { 1869} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name H )) 2.900 1.100 1.100 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.23899E-02 ppm1 4.023 ppm2 7.368 CV 1 OR { 1869} (( segid " " and resid 39 and name HA )) (( segid " " and resid 41 and name H )) ASSI { 1887} (( segid " " and resid 182 and name HG3 )) (( segid " " and resid 182 and name H )) 4.000 2.000 2.000 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.15775E-02 ppm1 2.230 ppm2 8.006 CV 1 OR { 1887} (( segid " " and resid 38 and name HG2 )) (( segid " " and resid 39 and name H )) ASSI { 1888} (( segid " " and resid 38 and name HA )) (( segid " " and resid 41 and name H )) 3.500 1.500 1.500 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 3.927 ppm2 7.368 CV 1 OR { 1888} (( segid " " and resid 38 and name HA )) (( segid " " and resid 40 and name H )) ASSI { 1891} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 23 and name HB )) 2.400 0.700 0.700 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 1.912 ppm2 3.918 CV 1 OR { 1891} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HA )) OR { 1891} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 23 and name HA )) ASSI { 1914} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 13 and name HG1%) 3.300 1.400 1.400 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.19397E-02 ppm1 2.427 ppm2 0.910 CV 1 OR { 1914} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 10 and name HG2%) ASSI { 1915} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 36 and name HG2%) 3.600 1.600 1.600 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 2.430 ppm2 0.829 CV 1 OR { 1915} (( segid " " and resid 38 and name HG3 )) ( segid " " and resid 10 and name HG2%) ASSI { 1916} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 10 and name HG2%) 3.100 1.200 1.200 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.13473E-02 ppm1 1.795 ppm2 0.842 CV 1 OR { 1916} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 36 and name HG2%) ASSI { 1917} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 36 and name HG2%) 3.500 1.500 1.500 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 1.924 ppm2 0.844 CV 1 OR { 1917} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 10 and name HG2%) ASSI { 1918} (( segid " " and resid 38 and name HA )) ( segid " " and resid 10 and name HG2%) 3.800 1.800 1.800 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 3.928 ppm2 0.840 CV 1 OR { 1918} (( segid " " and resid 38 and name HA )) ( segid " " and resid 36 and name HG2%) ASSI { 1919} (( segid " " and resid 38 and name HA )) ( segid " " and resid 10 and name HD1%) 4.300 2.300 1.700 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.68040E-03 ppm1 3.931 ppm2 0.695 CV 1 OR { 1919} (( segid " " and resid 38 and name HA )) ( segid " " and resid 40 and name HD2%) ASSI { 1943} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 37 and name HG3 )) 2.500 0.800 0.800 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.38998E-02 ppm1 3.750 ppm2 1.899 CV 1 OR { 1943} (( segid " " and resid 44 and name HD3 )) (( segid " " and resid 44 and name HG3 )) OR { 1943} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 37 and name HG3 )) ASSI { 1949} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HG2 )) 1.700 0.400 0.500 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.12620E-01 ppm1 1.895 ppm2 2.067 CV 1 OR { 1949} (( segid " " and resid 44 and name HG3 )) (( segid " " and resid 44 and name HG2 )) ASSI { 1954} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.600 0.800 0.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.45495E-02 ppm1 1.807 ppm2 4.149 CV 1 OR { 1954} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 57 and name HA )) ASSI { 1959} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HD2 )) 2.400 0.700 0.700 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.63539E-02 ppm1 1.902 ppm2 3.754 CV 1 OR { 1959} (( segid " " and resid 44 and name HG3 )) (( segid " " and resid 44 and name HD2 )) OR { 1959} (( segid " " and resid 44 and name HG3 )) (( segid " " and resid 44 and name HD3 )) OR { 1959} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HD3 )) ASSI { 1969} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 36 and name H )) 4.400 2.400 1.600 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.57887E-03 ppm1 3.735 ppm2 7.975 CV 1 OR { 1969} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 39 and name H )) OR { 1969} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 36 and name H )) OR { 1969} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 39 and name H )) ASSI { 1970} (( segid " " and resid 56 and name HG2 )) (( segid " " and resid 58 and name H )) 4.700 2.800 1.300 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 2.027 ppm2 8.019 CV 1 OR { 1970} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 39 and name H )) ASSI { 1980} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 15 and name H )) 2.500 2.500 3.500 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 0.830 ppm2 8.897 CV 1 OR { 1980} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 10 and name H )) ASSI { 2022} (( segid " " and resid 36 and name HB )) ( segid " " and resid 36 and name HD1%) 2.700 0.900 0.900 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.28198E-02 ppm1 1.864 ppm2 0.673 CV 1 OR { 2022} (( segid " " and resid 36 and name HB )) ( segid " " and resid 10 and name HD1%) ASSI { 2025} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 36 and name HD1%) 1.900 0.500 0.500 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.18665E-01 ppm1 0.835 ppm2 0.673 CV 1 OR { 2025} ( segid " " and resid 36 and name HG2%) ( segid " " and resid 10 and name HD1%) ASSI { 2034} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 35 and name HG3 )) 2.000 0.500 0.500 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.15612E-01 ppm1 3.119 ppm2 1.659 CV 1 OR { 2034} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HG3 )) OR { 2034} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 74 and name HG3 )) OR { 2034} (( segid " " and resid 35 and name HD3 )) ( segid " " and resid 17 and name HE% ) ASSI { 2036} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HB3 )) 1.800 0.400 0.400 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.10805E-01 ppm1 1.888 ppm2 1.672 CV 1 OR { 2036} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 87 and name HB2 )) OR { 2036} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HG3 )) ASSI { 2038} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HB2 )) 2.200 0.600 0.600 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.10132E-01 ppm1 1.638 ppm2 1.892 CV 1 OR { 2038} (( segid " " and resid 30 and name HG3 )) (( segid " " and resid 30 and name HB3 )) OR { 2038} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HB2 )) ASSI { 2046} (( segid " " and resid 30 and name HG3 )) (( segid " " and resid 30 and name HD3 )) 2.500 0.800 0.800 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.40248E-02 ppm1 1.658 ppm2 3.221 CV 1 OR { 2046} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 32 and name HA )) ASSI { 2047} (( segid " " and resid 118 and name HG2 )) (( segid " " and resid 118 and name HD2 )) 2.100 0.600 0.600 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.94918E-02 ppm1 1.639 ppm2 3.148 CV 1 OR { 2047} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HD3 )) OR { 2047} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HD2 )) OR { 2047} (( segid " " and resid 30 and name HG3 )) (( segid " " and resid 30 and name HD2 )) OR { 2047} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HD3 )) OR { 2047} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HD3 )) ASSI { 2056} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name H )) 3.500 1.500 1.500 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 1.898 ppm2 7.480 CV 1 OR { 2056} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 114 and name H )) ASSI { 2070} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 19 and name HE% ) 3.400 1.400 1.400 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.19769E-02 ppm1 0.738 ppm2 7.131 CV 1 OR { 2070} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 30 and name H )) ASSI { 2096} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 32 and name HB )) 2.400 0.700 0.700 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.49929E-02 ppm1 0.112 ppm2 1.574 CV 1 OR { 2096} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 10 and name HG13)) ASSI { 2100} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 33 and name HB3 )) 3.400 1.500 1.500 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.38623E-02 ppm1 0.738 ppm2 1.682 CV 1 OR { 2100} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 17 and name HE% ) ASSI { 2105} (( segid " " and resid 32 and name HG12)) ( segid " " and resid 32 and name HG2%) 3.000 1.100 1.100 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 0.981 ppm2 0.734 CV 1 OR { 2105} (( segid " " and resid 32 and name HG13)) ( segid " " and resid 32 and name HG2%) OR { 2105} (( segid " " and resid 32 and name HG13)) ( segid " " and resid 8 and name HG2%) OR { 2105} (( segid " " and resid 32 and name HG12)) ( segid " " and resid 8 and name HG2%) ASSI { 2106} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 192 and name HD2%) 3.200 1.200 1.200 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 1.934 ppm2 0.716 CV 1 OR { 2106} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 192 and name HD1%) OR { 2106} (( segid " " and resid 170 and name HB3 )) ( segid " " and resid 171 and name HD1%) ASSI { 2109} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 49 and name HD2%) 3.100 1.200 1.200 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.48169E-02 ppm1 0.113 ppm2 0.856 CV 1 OR { 2109} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 36 and name HG2%) ASSI { 2110} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 8 and name HG2%) 1.900 0.400 0.400 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.16245E-01 ppm1 0.111 ppm2 0.733 CV 1 OR { 2110} ( segid " " and resid 32 and name HD1%) ( segid " " and resid 32 and name HG2%) ASSI { 2111} (( segid " " and resid 32 and name HB )) ( segid " " and resid 32 and name HG2%) 2.800 1.000 1.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 1.572 ppm2 0.739 CV 1 OR { 2111} (( segid " " and resid 32 and name HB )) ( segid " " and resid 8 and name HG2%) ASSI { 2124} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name H )) 2.600 0.900 0.900 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 2.519 ppm2 8.327 CV 1 OR { 2124} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name H )) ASSI { 2148} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 25 and name HG1%) 4.400 2.400 1.600 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 3.226 ppm2 0.741 CV 1 OR { 2148} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 32 and name HG2%) OR { 2148} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 49 and name HD1%) ASSI { 2149} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 49 and name HD1%) 3.900 1.900 1.900 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.67025E-03 ppm1 2.977 ppm2 0.751 CV 1 OR { 2149} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 25 and name HG1%) OR { 2149} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 32 and name HG2%) ASSI { 2157} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 19 and name HB2 )) 4.300 2.300 1.700 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 1.013 ppm2 2.324 CV 1 OR { 2157} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 31 and name HB3 )) ASSI { 2160} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 31 and name HG2 )) 4.600 2.700 1.400 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 1.011 ppm2 2.741 CV 1 OR { 2160} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 25 and name HB )) ASSI { 2161} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 19 and name HB3 )) 3.800 1.800 1.800 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 1.015 ppm2 2.964 CV 1 OR { 2161} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 29 and name HB2 )) ASSI { 2163} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 29 and name HA )) 3.300 1.300 1.300 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 1.013 ppm2 3.918 CV 1 OR { 2163} ( segid " " and resid 28 and name HB% ) (( segid " " and resid 23 and name HB )) ASSI { 2195} (( segid " " and resid 26 and name HB3 )) ( segid " " and resid 64 and name HB% ) 2.600 0.800 0.800 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.38861E-02 ppm1 3.188 ppm2 1.518 CV 1 OR { 2195} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 73 and name HG )) ASSI { 2198} (( segid " " and resid 26 and name HA )) ( segid " " and resid 28 and name HB% ) 4.600 2.700 1.400 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.70072E-03 ppm1 4.379 ppm2 0.998 CV 1 OR { 2198} (( segid " " and resid 26 and name HA )) ( segid " " and resid 25 and name HG2%) ASSI { 2199} (( segid " " and resid 26 and name HB3 )) ( segid " " and resid 25 and name HG1%) 4.000 2.000 2.000 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 3.182 ppm2 0.751 CV 1 OR { 2199} (( segid " " and resid 71 and name HB3 )) ( segid " " and resid 51 and name HD1%) OR { 2199} (( segid " " and resid 71 and name HB3 )) ( segid " " and resid 51 and name HD2%) ASSI { 2204} (( segid " " and resid 25 and name HA )) ( segid " " and resid 49 and name HD1%) 2.500 0.800 0.800 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.36457E-02 ppm1 3.286 ppm2 0.753 CV 1 OR { 2204} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HG1%) ASSI { 2219} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name H )) 3.300 1.400 1.400 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.20581E-02 ppm1 0.979 ppm2 7.475 CV 1 OR { 2219} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 66 and name H )) ASSI { 2229} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 68 and name H )) 3.900 1.900 1.900 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 1.361 ppm2 8.348 CV 1 OR { 2229} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 31 and name H )) ASSI { 2250} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 19 and name HB2 )) 4.100 2.100 1.900 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 1.366 ppm2 2.313 CV 1 OR { 2250} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 20 and name HG3 )) ASSI { 2291} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HA )) 2.300 0.700 0.700 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.68413E-02 ppm1 2.342 ppm2 4.080 CV 1 OR { 2291} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HD2 )) ASSI { 2297} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HA )) 3.800 1.800 1.800 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 1.947 ppm2 4.097 CV 1 OR { 2297} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 42 and name HA3 )) ASSI { 2306} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HB3 )) 2.400 0.700 0.700 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.11489E-01 ppm1 2.276 ppm2 2.029 CV 1 OR { 2306} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HG2 )) ASSI { 2307} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HG2 )) 2.400 0.700 0.700 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.27859E-02 ppm1 3.885 ppm2 2.135 CV 1 OR { 2307} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 20 and name HB3 )) ASSI { 2308} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HG3 )) 3.100 1.200 1.200 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.20344E-02 ppm1 3.885 ppm2 1.936 CV 1 OR { 2308} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 20 and name HB2 )) ASSI { 2310} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 20 and name HG2 )) 3.700 1.700 1.700 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.16282E-02 ppm1 3.876 ppm2 2.346 CV 1 OR { 2310} (( segid " " and resid 21 and name HD2 )) (( segid " " and resid 21 and name HB3 )) ASSI { 2314} (( segid " " and resid 21 and name HG3 )) (( segid " " and resid 21 and name HB3 )) 2.400 0.700 0.700 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.55819E-02 ppm1 1.949 ppm2 2.333 CV 1 OR { 2314} (( segid " " and resid 43 and name HG3 )) (( segid " " and resid 43 and name HB3 )) OR { 2314} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HB3 )) ASSI { 2344} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HG2 )) 2.800 1.000 1.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.25084E-02 ppm1 4.653 ppm2 1.916 CV 1 OR { 2344} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) ASSI { 2350} (( segid " " and resid 38 and name HB3 )) ( segid " " and resid 39 and name HB% ) 4.900 3.000 1.100 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 1.900 ppm2 1.107 CV 1 OR { 2350} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 3 and name HB% ) ASSI { 2370} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name H )) 2.600 0.800 0.800 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.22579E-02 ppm1 4.880 ppm2 8.800 CV 1 OR { 2370} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name H )) ASSI { 2436} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 17 and name HG3 )) 2.200 0.600 0.600 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.17186E-01 ppm1 1.683 ppm2 2.061 CV 1 OR { 2436} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 31 and name HE% ) ASSI { 2441} (( segid " " and resid 17 and name HB3 )) ( segid " " and resid 17 and name HE% ) 2.600 0.900 0.900 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.31989E-02 ppm1 1.481 ppm2 1.681 CV 1 OR { 2441} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 8 and name HG13)) OR { 2441} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 17 and name HE% ) ASSI { 2469} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HG1%) 3.400 1.500 1.500 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 4.999 ppm2 0.780 CV 1 OR { 2469} (( segid " " and resid 14 and name HA )) ( segid " " and resid 13 and name HG2%) ASSI { 2488} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name H )) 2.400 0.700 0.700 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.39504E-02 ppm1 4.995 ppm2 8.894 CV 1 OR { 2488} (( segid " " and resid 14 and name HA )) (( segid " " and resid 10 and name H )) ASSI { 2538} (( segid " " and resid 11 and name HA2 )) ( segid " " and resid 10 and name HG2%) 5.000 3.100 1.000 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 3.954 ppm2 0.913 CV 1 OR { 2538} (( segid " " and resid 11 and name HA2 )) ( segid " " and resid 13 and name HG1%) ASSI { 2539} (( segid " " and resid 11 and name HA3 )) ( segid " " and resid 10 and name HG2%) 4.000 2.000 2.000 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.74134E-03 ppm1 3.680 ppm2 0.880 CV 1 OR { 2539} (( segid " " and resid 11 and name HA3 )) ( segid " " and resid 13 and name HG1%) ASSI { 2542} (( segid " " and resid 11 and name HA2 )) (( segid " " and resid 10 and name HA )) 4.700 2.700 1.300 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.99523E-03 ppm1 3.962 ppm2 4.629 CV 1 OR { 2542} (( segid " " and resid 11 and name HA2 )) (( segid " " and resid 12 and name HA )) ASSI { 2543} (( segid " " and resid 11 and name HA3 )) (( segid " " and resid 10 and name HA )) 4.600 2.700 1.400 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.85981E-03 ppm1 3.680 ppm2 4.629 CV 1 OR { 2543} (( segid " " and resid 11 and name HA3 )) (( segid " " and resid 12 and name HA )) ASSI { 2568} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 41 and name H )) 4.100 2.100 1.900 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 0.878 ppm2 7.356 CV 1 OR { 2568} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 40 and name H )) ASSI { 2573} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 40 and name H )) 4.300 2.300 1.700 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 0.686 ppm2 7.376 CV 1 OR { 2573} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 41 and name H )) ASSI { 2594} (( segid " " and resid 10 and name HB )) (( segid " " and resid 13 and name HB )) 4.300 2.300 1.700 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 1.822 ppm2 2.189 CV 1 OR { 2594} (( segid " " and resid 10 and name HB )) (( segid " " and resid 38 and name HG2 )) ASSI { 2599} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 81 and name HB2 )) 3.600 1.600 1.600 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.24440E-02 ppm1 0.686 ppm2 2.430 CV 1 OR { 2599} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 38 and name HG3 )) ASSI { 2652} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name H )) 3.000 1.100 1.100 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.32464E-02 ppm1 3.662 ppm2 8.869 CV 1 OR { 2652} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 10 and name H )) ASSI { 2654} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name H )) 2.500 0.800 0.800 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.38251E-02 ppm1 5.298 ppm2 8.885 CV 1 OR { 2654} (( segid " " and resid 9 and name HA )) (( segid " " and resid 15 and name H )) ASSI { 2658} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 5 and name H )) 4.500 2.500 1.500 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.14624E-02 ppm1 0.709 ppm2 8.673 CV 1 OR { 2658} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 7 and name H )) ASSI { 2659} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name H )) 2.900 1.100 1.100 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.32160E-02 ppm1 0.884 ppm2 8.907 CV 1 OR { 2659} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 74 and name H )) ASSI { 2660} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 5 and name H )) 2.800 1.000 1.000 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.43228E-02 ppm1 0.883 ppm2 8.670 CV 1 OR { 2660} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 7 and name H )) ASSI { 2667} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 5 and name HA )) 4.600 2.600 1.400 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.12390E-02 ppm1 0.712 ppm2 4.894 CV 1 OR { 2667} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 19 and name HA )) ASSI { 2678} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HB2 )) 2.600 0.800 0.800 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.51250E-02 ppm1 0.709 ppm2 1.305 CV 1 OR { 2678} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 4 and name HB3 )) ASSI { 2693} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 4 and name HB3 )) 2.100 0.600 0.600 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.73729E-02 ppm1 0.883 ppm2 1.309 CV 1 OR { 2693} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name HB2 )) ASSI { 2698} (( segid " " and resid 47 and name HA )) (( segid " " and resid 83 and name HG3 )) 3.700 1.700 1.700 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 4.884 ppm2 0.922 CV 1 OR { 2698} (( segid " " and resid 5 and name HA )) ( segid " " and resid 6 and name HD2%) ASSI { 2701} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HG12)) 3.600 1.600 1.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 4.892 ppm2 1.451 CV 1 OR { 2701} (( segid " " and resid 5 and name HA )) (( segid " " and resid 18 and name HB3 )) ASSI { 2702} (( segid " " and resid 8 and name HA )) (( segid " " and resid 10 and name HG13)) 4.400 2.400 1.600 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.12694E-02 ppm1 4.894 ppm2 1.566 CV 1 OR { 2702} (( segid " " and resid 5 and name HA )) (( segid " " and resid 18 and name HB2 )) OR { 2702} (( segid " " and resid 47 and name HA )) (( segid " " and resid 83 and name HB3 )) ASSI { 2708} (( segid " " and resid 47 and name HA )) (( segid " " and resid 83 and name HA )) 2.500 0.800 0.800 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 4.894 ppm2 3.560 CV 1 OR { 2708} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB3 )) OR { 2708} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) ASSI { 2713} (( segid " " and resid 5 and name HA )) (( segid " " and resid 4 and name HA )) 3.700 1.700 1.700 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 4.890 ppm2 4.719 CV 1 OR { 2713} (( segid " " and resid 5 and name HA )) (( segid " " and resid 75 and name HA )) ASSI { 2744} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 91 and name HD2 )) 2.700 0.900 0.900 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.51589E-02 ppm1 0.718 ppm2 2.984 CV 1 OR { 2744} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 194 and name HD3 )) ASSI { 2751} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 192 and name HB3 )) 2.100 0.600 0.600 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.19024E-01 ppm1 0.714 ppm2 1.547 CV 1 OR { 2751} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HB2 )) ASSI { 2753} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 192 and name HG )) 1.800 0.400 0.400 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.29301E-01 ppm1 0.719 ppm2 1.372 CV 1 OR { 2753} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 193 and name HG )) OR { 2753} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 192 and name HB2 )) ASSI { 2763} (( segid " " and resid 3 and name HA )) (( segid " " and resid 18 and name HB3 )) 4.000 2.000 2.000 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 4.279 ppm2 1.490 CV 1 OR { 2763} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HG )) ASSI { 2768} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB2 )) 4.100 2.100 1.900 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 4.288 ppm2 1.582 CV 1 OR { 2768} (( segid " " and resid 3 and name HA )) (( segid " " and resid 18 and name HB2 )) ASSI { 2771} (( segid " " and resid 3 and name HA )) (( segid " " and resid 2 and name HA )) 4.000 2.000 2.000 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 4.284 ppm2 4.107 CV 1 OR { 2771} (( segid " " and resid 3 and name HA )) (( segid " " and resid 21 and name HA )) ASSI { 2815} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB2 )) 2.200 0.600 0.600 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.13649E-01 ppm1 4.402 ppm2 2.036 CV 1 OR { 2815} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HB2 )) ASSI { 2816} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HB3 )) 2.300 0.700 0.700 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.10020E-01 ppm1 4.402 ppm2 1.960 CV 1 OR { 2816} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name HB3 )) ASSI { 2819} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HG3 )) 2.800 1.000 1.000 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.65366E-02 ppm1 2.043 ppm2 2.538 CV 1 OR { 2819} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG3 )) ASSI { 2822} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HG2 )) 2.800 1.000 1.000 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.35341E-02 ppm1 2.044 ppm2 2.446 CV 1 OR { 2822} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name HG2 )) ASSI { 2826} (( segid " " and resid 1 and name HA )) (( segid " " and resid 1 and name H )) 2.400 0.700 0.700 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.62422E-02 ppm1 4.401 ppm2 8.152 CV 1 OR { 2826} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name H )) ASSI { 2828} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name H )) 2.600 0.900 0.900 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.41840E-02 ppm1 2.041 ppm2 8.156 CV 1 OR { 2828} (( segid " " and resid 134 and name HB2 )) (( segid " " and resid 134 and name H )) ASSI { 2834} (( segid " " and resid 0 and name HA )) (( segid " " and resid 0 and name H )) 2.700 0.900 0.900 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.45192E-02 ppm1 4.202 ppm2 8.046 CV 1 OR { 2834} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name H )) ASSI { 2876} (( segid " " and resid 193 and name HA )) (( segid " " and resid 193 and name HG )) 3.100 1.200 1.200 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 4.873 ppm2 1.398 CV 1 OR { 2876} (( segid " " and resid 193 and name HA )) (( segid " " and resid 194 and name HG2 )) ASSI { 2879} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 1.854 ppm2 4.856 CV 1 OR { 2879} (( segid " " and resid 193 and name HB3 )) (( segid " " and resid 193 and name HA )) ASSI { 2895} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 48 and name H )) 3.600 1.700 1.700 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.95460E-03 ppm1 1.857 ppm2 8.601 CV 1 OR { 2895} (( segid " " and resid 193 and name HB3 )) (( segid " " and resid 194 and name H )) ASSI { 2905} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 170 and name HG2 )) 2.400 0.700 0.700 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.10226E-01 ppm1 1.801 ppm2 2.124 CV 1 OR { 2905} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 170 and name HG3 )) OR { 2905} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HG3 )) ASSI { 2906} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HB2 )) 1.600 0.300 0.600 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.23784E-01 ppm1 1.801 ppm2 1.938 CV 1 OR { 2906} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 170 and name HB3 )) ASSI { 2908} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 2.300 0.700 0.700 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.74372E-02 ppm1 1.938 ppm2 4.209 CV 1 OR { 2908} (( segid " " and resid 170 and name HB3 )) (( segid " " and resid 170 and name HA )) ASSI { 2909} (( segid " " and resid 189 and name HB2 )) (( segid " " and resid 189 and name HA )) 3.500 1.600 1.600 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 1.797 ppm2 3.981 CV 1 OR { 2909} (( segid " " and resid 181 and name HB3 )) (( segid " " and resid 181 and name HA )) ASSI { 2915} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 102 and name H )) 4.500 2.500 1.500 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.80905E-03 ppm1 1.876 ppm2 8.811 CV 1 OR { 2915} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 186 and name H )) ASSI { 2920} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name H )) 3.100 1.200 1.200 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 2.610 ppm2 8.612 CV 1 OR { 2920} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 105 and name H )) OR { 2920} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name H )) ASSI { 2924} (( segid " " and resid 188 and name HB3 )) (( segid " " and resid 188 and name H )) 4.200 2.200 1.800 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.75489E-03 ppm1 2.974 ppm2 7.589 CV 1 OR { 2924} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name HE3 )) ASSI { 2935} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 15 and name HG2 )) 2.400 0.700 0.700 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.99996E-02 ppm1 2.806 ppm2 1.320 CV 1 OR { 2935} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 15 and name HG2 )) OR { 2935} (( segid " " and resid 89 and name HE2 )) (( segid " " and resid 89 and name HG3 )) OR { 2935} (( segid " " and resid 89 and name HE3 )) (( segid " " and resid 89 and name HG3 )) ASSI { 2936} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 7 and name HD3 )) 1.800 0.400 0.400 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.33656E-01 ppm1 2.800 ppm2 1.461 CV 1 OR { 2936} (( segid " " and resid 83 and name HE2 )) (( segid " " and resid 83 and name HD3 )) OR { 2936} (( segid " " and resid 89 and name HE3 )) (( segid " " and resid 89 and name HD2 )) OR { 2936} (( segid " " and resid 89 and name HE2 )) (( segid " " and resid 89 and name HD3 )) OR { 2936} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 7 and name HD2 )) OR { 2936} (( segid " " and resid 89 and name HE2 )) (( segid " " and resid 89 and name HD2 )) OR { 2936} (( segid " " and resid 89 and name HE3 )) (( segid " " and resid 89 and name HD3 )) OR { 2936} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 7 and name HD2 )) OR { 2936} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 7 and name HD3 )) OR { 2936} (( segid " " and resid 83 and name HE2 )) (( segid " " and resid 83 and name HD2 )) ASSI { 2938} (( segid " " and resid 15 and name HE2 )) ( segid " " and resid 13 and name HG2%) 2.300 0.700 0.700 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.96070E-02 ppm1 2.803 ppm2 0.820 CV 1 OR { 2938} (( segid " " and resid 15 and name HE3 )) ( segid " " and resid 13 and name HG2%) OR { 2938} (( segid " " and resid 15 and name HE3 )) ( segid " " and resid 36 and name HG2%) ASSI { 2939} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 15 and name HG3 )) 2.300 0.700 0.700 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.90010E-02 ppm1 2.800 ppm2 1.206 CV 1 OR { 2939} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 7 and name HG2 )) OR { 2939} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 7 and name HG2 )) OR { 2939} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 15 and name HG3 )) ASSI { 2960} (( segid " " and resid 111 and name HG2 )) ( segid " " and resid 102 and name HG1%) 3.100 1.200 1.200 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.24677E-02 ppm1 2.567 ppm2 0.737 CV 1 OR { 2960} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 115 and name HG13)) OR { 2960} (( segid " " and resid 111 and name HG2 )) ( segid " " and resid 102 and name HG2%) ASSI { 2988} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 8 and name HG2%) 3.100 1.200 1.200 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 2.448 ppm2 0.733 CV 1 OR { 2988} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 8 and name HD1%) OR { 2988} (( segid " " and resid 81 and name HB2 )) ( segid " " and resid 10 and name HD1%) ASSI { 2989} (( segid " " and resid 81 and name HB3 )) ( segid " " and resid 10 and name HG2%) 4.100 2.100 1.900 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 3.108 ppm2 0.872 CV 1 OR { 2989} (( segid " " and resid 81 and name HB3 )) ( segid " " and resid 49 and name HD2%) ASSI { 2994} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name H )) 3.400 1.400 1.400 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 4.884 ppm2 8.458 CV 1 OR { 2994} (( segid " " and resid 61 and name HA )) (( segid " " and resid 51 and name H )) ASSI { 3013} (( segid " " and resid 178 and name HA )) ( segid " " and resid 108 and name HG2%) 3.700 1.800 1.800 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 4.888 ppm2 0.886 CV 1 OR { 3013} (( segid " " and resid 79 and name HA )) ( segid " " and resid 49 and name HD2%) ASSI { 3018} (( segid " " and resid 101 and name HA )) (( segid " " and resid 101 and name HB3 )) 2.500 0.800 0.800 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.31718E-02 ppm1 4.876 ppm2 1.526 CV 1 OR { 3018} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HG3 )) ASSI { 3019} (( segid " " and resid 101 and name HA )) ( segid " " and resid 101 and name HE% ) 2.500 0.800 0.800 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 4.893 ppm2 1.715 CV 1 OR { 3019} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) ASSI { 3035} (( segid " " and resid 79 and name HG3 )) ( segid " " and resid 73 and name HD1%) 2.900 1.000 1.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.31413E-02 ppm1 2.149 ppm2 0.866 CV 1 OR { 3035} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 49 and name HD2%) OR { 3035} (( segid " " and resid 79 and name HG3 )) ( segid " " and resid 49 and name HD2%) ASSI { 3039} (( segid " " and resid 178 and name HA )) (( segid " " and resid 178 and name HB3 )) 3.400 1.400 1.400 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.19363E-02 ppm1 4.889 ppm2 1.978 CV 1 OR { 3039} (( segid " " and resid 79 and name HA )) (( segid " " and resid 80 and name HB2 )) ASSI { 3042} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.14793E-02 ppm1 1.824 ppm2 4.898 CV 1 OR { 3042} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 8 and name HA )) ASSI { 3043} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 3043 spectrum 1 weight 0.10000E+01 volume 0.12999E-02 ppm1 1.711 ppm2 4.895 CV 1 OR { 3043} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 8 and name HA )) ASSI { 3054} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name H )) 3.100 1.200 1.200 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.11645E-02 ppm1 4.899 ppm2 9.049 CV 1 OR { 3054} (( segid " " and resid 101 and name HA )) (( segid " " and resid 88 and name H )) ASSI { 3056} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 6 and name H )) 2.400 2.400 3.600 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.14217E-02 ppm1 1.473 ppm2 8.871 CV 1 OR { 3056} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 19 and name H )) ASSI { 3057} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 1 and name HB2 )) 2.400 0.700 0.700 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.11570E-01 ppm1 2.540 ppm2 2.035 CV 1 OR { 3057} (( segid " " and resid 134 and name HG3 )) ( segid " " and resid 134 and name HE% ) OR { 3057} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HB2 )) ASSI { 3059} (( segid " " and resid 134 and name HG3 )) ( segid " " and resid 134 and name HE% ) 2.300 0.600 0.600 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.92685E-02 ppm1 2.537 ppm2 1.958 CV 1 OR { 3059} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HB3 )) OR { 3059} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 1 and name HB3 )) ASSI { 3061} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HB3 )) 3.500 1.600 1.600 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 2.435 ppm2 1.571 CV 1 OR { 3061} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 133 and name HB2 )) ASSI { 3069} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 135 and name HA )) 3.800 1.800 1.800 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 2.537 ppm2 4.133 CV 1 OR { 3069} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 0 and name HB )) ASSI { 3099} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HB2 )) 2.900 1.100 1.100 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.32666E-02 ppm1 2.726 ppm2 2.023 CV 1 OR { 3099} (( segid " " and resid 31 and name HG2 )) ( segid " " and resid 31 and name HE% ) OR { 3099} (( segid " " and resid 24 and name HG3 )) ( segid " " and resid 24 and name HE% ) ASSI { 3101} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HB3 )) 2.800 1.000 1.000 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.21225E-02 ppm1 2.598 ppm2 2.023 CV 1 OR { 3101} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 24 and name HE% ) ASSI { 3102} (( segid " " and resid 24 and name HG3 )) ( segid " " and resid 67 and name HB% ) 3.700 1.700 1.700 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 2.732 ppm2 1.375 CV 1 OR { 3102} (( segid " " and resid 24 and name HG3 )) ( segid " " and resid 23 and name HG2%) ASSI { 3107} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HD21)) 2.900 1.100 1.100 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 2.792 ppm2 7.697 CV 1 OR { 3107} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 124 and name H )) ASSI { 3134} (( segid " " and resid 86 and name HA )) (( segid " " and resid 87 and name HD2 )) 2.100 0.500 0.500 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.21475E-01 ppm1 4.799 ppm2 3.676 CV 1 OR { 3134} (( segid " " and resid -3 and name HA )) (( segid " " and resid -2 and name HD2 )) ASSI { 3137} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name H )) 3.100 1.200 1.200 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.37339E-02 ppm1 2.671 ppm2 8.376 CV 1 OR { 3137} (( segid " " and resid -3 and name HB3 )) (( segid " " and resid -3 and name H )) OR { 3137} (( segid " " and resid 169 and name HB3 )) (( segid " " and resid 169 and name H )) ASSI { 3141} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name H )) 3.000 1.100 1.100 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.22511E-02 ppm1 3.697 ppm2 7.143 CV 1 OR { 3141} (( segid " " and resid 84 and name HA )) (( segid " " and resid 61 and name HZ2 )) ASSI { 3147} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 105 and name H )) 3.700 1.700 1.700 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 1.044 ppm2 8.599 CV 1 OR { 3147} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 105 and name H )) OR { 3147} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 48 and name H )) OR { 3147} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 48 and name H )) ASSI { 3179} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 84 and name HA )) 4.500 2.500 1.500 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 2.334 ppm2 3.704 CV 1 OR { 3179} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 105 and name HB2 )) ASSI { 3187} (( segid " " and resid 84 and name HA )) (( segid " " and resid 104 and name HB3 )) 3.800 1.800 1.800 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 3.690 ppm2 2.442 CV 1 OR { 3187} (( segid " " and resid 84 and name HA )) (( segid " " and resid 105 and name HB3 )) ASSI { 3222} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 131 and name HE )) 3.500 1.500 1.500 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.32565E-02 ppm1 0.792 ppm2 9.028 CV 1 OR { 3222} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 88 and name H )) ASSI { 3223} (( segid " " and resid 62 and name HG )) (( segid " " and resid 51 and name H )) 3.400 1.400 1.400 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 0.686 ppm2 8.464 CV 1 OR { 3223} ( segid " " and resid 88 and name HD1%) (( segid " " and resid 89 and name H )) ASSI { 3226} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 134 and name H )) 3.300 1.300 1.300 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.71731E-02 ppm1 0.788 ppm2 8.194 CV 1 OR { 3226} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name H )) ASSI { 3235} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HA )) 3.700 1.800 1.800 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.59238E-03 ppm1 1.842 ppm2 4.627 CV 1 OR { 3235} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 87 and name HA )) ASSI { 3260} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 88 and name HG )) 2.200 0.600 0.600 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.13554E-01 ppm1 0.795 ppm2 1.297 CV 1 OR { 3260} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 73 and name HB3 )) ASSI { 3262} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 68 and name HB3 )) 2.200 0.600 0.600 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.63166E-02 ppm1 0.795 ppm2 1.095 CV 1 OR { 3262} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 88 and name HB3 )) ASSI { 3272} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 74 and name HA )) 4.700 2.700 1.300 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 2.616 ppm2 4.446 CV 1 OR { 3272} (( segid " " and resid 172 and name HB3 )) (( segid " " and resid 131 and name HA )) ASSI { 3308} (( segid " " and resid 189 and name HG2 )) (( segid " " and resid 189 and name HA )) 3.600 1.600 1.600 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 1.849 ppm2 3.990 CV 1 OR { 3308} (( segid " " and resid 36 and name HB )) (( segid " " and resid 39 and name HA )) ASSI { 3324} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.700 0.900 0.900 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.38284E-02 ppm1 3.830 ppm2 2.062 CV 1 OR { 3324} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HG2 )) ASSI { 3325} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB3 )) 2.500 0.800 0.800 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.64453E-02 ppm1 3.830 ppm2 1.904 CV 1 OR { 3325} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HB3 )) OR { 3325} (( segid " " and resid 187 and name HA )) (( segid " " and resid 187 and name HB2 )) ASSI { 3339} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 54 and name H )) 4.200 2.200 1.800 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 1.918 ppm2 8.274 CV 1 OR { 3339} (( segid " " and resid 134 and name HB3 )) (( segid " " and resid 135 and name H )) ASSI { 3342} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name H )) 2.400 0.700 0.700 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.20006E-02 ppm1 1.703 ppm2 8.333 CV 1 OR { 3342} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 169 and name H )) ASSI { 3345} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name H )) 3.800 1.800 1.800 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.26404E-02 ppm1 1.595 ppm2 8.106 CV 1 OR { 3345} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 138 and name H )) OR { 3345} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name H )) OR { 3345} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name H )) OR { 3345} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 138 and name H )) ASSI { 3366} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 55 and name HB2 )) 4.500 2.500 1.500 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 1.905 ppm2 2.916 CV 1 OR { 3366} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HE2 )) OR { 3366} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HE3 )) ASSI { 3391} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HG2 )) 1.800 0.400 0.400 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.34568E-01 ppm1 1.592 ppm2 1.331 CV 1 OR { 3391} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HG3 )) OR { 3391} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name HG3 )) OR { 3391} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 138 and name HG2 )) OR { 3391} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 138 and name HG3 )) OR { 3391} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name HG2 )) OR { 3391} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HG2 )) OR { 3391} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HG3 )) ASSI { 3403} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 104 and name H )) 3.200 1.300 1.300 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 2.598 ppm2 8.406 CV 1 OR { 3403} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 111 and name H )) ASSI { 3433} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 65 and name H )) 3.800 1.800 1.800 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 0.862 ppm2 8.144 CV 1 OR { 3433} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 67 and name H )) ASSI { 3449} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HE3 )) 2.200 0.600 0.600 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.47730E-02 ppm1 0.499 ppm2 2.246 CV 1 OR { 3449} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HE2 )) OR { 3449} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 63 and name HG3 )) ASSI { 3450} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HB2 )) 4.000 2.000 2.000 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 0.504 ppm2 2.051 CV 1 OR { 3450} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 63 and name HB3 )) ASSI { 3454} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) 2.700 0.900 0.900 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.21191E-02 ppm1 4.393 ppm2 2.030 CV 1 OR { 3454} (( segid " " and resid 66 and name HA )) ( segid " " and resid 24 and name HE% ) ASSI { 3455} (( segid " " and resid 66 and name HA )) (( segid " " and resid 63 and name HG3 )) 4.200 2.200 1.800 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.11746E-02 ppm1 4.390 ppm2 2.249 CV 1 OR { 3455} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HE3 )) ASSI { 3462} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HG3 )) 2.300 0.700 0.700 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.32160E-02 ppm1 0.500 ppm2 0.997 CV 1 OR { 3462} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HG2 )) OR { 3462} (( segid " " and resid 66 and name HD2 )) ( segid " " and resid 25 and name HG2%) ASSI { 3467} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 49 and name HD1%) 1.900 0.400 0.400 peak 3467 spectrum 1 weight 0.10000E+01 volume 0.16306E-01 ppm1 0.978 ppm2 0.755 CV 1 OR { 3467} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 25 and name HG1%) ASSI { 3469} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name H )) 3.200 1.300 1.300 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.95799E-03 ppm1 4.923 ppm2 9.039 CV 1 OR { 3469} (( segid " " and resid 8 and name HA )) (( segid " " and resid 79 and name H )) ASSI { 3470} (( segid " " and resid 8 and name HB )) (( segid " " and resid 15 and name H )) 3.500 1.500 1.500 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.70749E-03 ppm1 2.079 ppm2 8.885 CV 1 OR { 3470} (( segid " " and resid 8 and name HB )) (( segid " " and resid 9 and name H )) ASSI { 3471} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 17 and name H )) 3.800 1.800 1.800 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.16756E-02 ppm1 0.715 ppm2 9.142 CV 1 OR { 3471} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 80 and name H )) ASSI { 3472} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 79 and name H )) 3.000 1.100 1.100 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.38016E-02 ppm1 0.719 ppm2 9.043 CV 1 OR { 3472} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name H )) ASSI { 3479} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 81 and name HA )) 4.500 2.600 1.500 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 0.717 ppm2 5.427 CV 1 OR { 3479} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 3485} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HB )) 3.200 1.300 1.300 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.47764E-02 ppm1 0.718 ppm2 2.126 CV 1 OR { 3485} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 79 and name HG3 )) ASSI { 3488} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 8 and name HG13)) 2.100 0.600 0.600 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.94951E-02 ppm1 0.718 ppm2 1.678 CV 1 OR { 3488} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 3490} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 32 and name HG13)) 3.700 1.700 1.700 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.28402E-02 ppm1 0.718 ppm2 1.000 CV 1 OR { 3490} ( segid " " and resid 8 and name HD1%) ( segid " " and resid 78 and name HG2%) OR { 3490} ( segid " " and resid 8 and name HD1%) ( segid " " and resid 28 and name HB% ) ASSI { 3493} (( segid " " and resid 8 and name HB )) ( segid " " and resid 8 and name HG2%) 2.400 0.700 0.700 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.49795E-02 ppm1 2.105 ppm2 0.716 CV 1 OR { 3493} (( segid " " and resid 8 and name HB )) ( segid " " and resid 8 and name HD1%) OR { 3493} (( segid " " and resid 132 and name HG3 )) ( segid " " and resid 192 and name HD1%) ASSI { 3504} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name H )) 2.600 0.900 0.900 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 1.956 ppm2 7.656 CV 1 OR { 3504} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name H )) ASSI { 3520} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HG3 )) 2.000 0.500 0.500 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.28689E-01 ppm1 1.980 ppm2 2.148 CV 1 OR { 3520} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG2 )) OR { 3520} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HG2 )) ASSI { 3540} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name H )) 2.900 1.100 1.100 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.14895E-02 ppm1 1.444 ppm2 8.644 CV 1 OR { 3540} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 194 and name H )) OR { 3540} (( segid " " and resid 194 and name HG3 )) (( segid " " and resid 194 and name H )) ASSI { 3546} (( segid " " and resid 30 and name HA )) (( segid " " and resid 29 and name HB3 )) 4.200 2.200 1.800 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 3.811 ppm2 3.220 CV 1 OR { 3546} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HD3 )) ASSI { 3553} (( segid " " and resid 30 and name HD3 )) (( segid " " and resid 30 and name HB2 )) 3.300 1.400 1.400 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.18584E-02 ppm1 3.229 ppm2 2.093 CV 1 OR { 3553} (( segid " " and resid 181 and name HD3 )) (( segid " " and resid 181 and name HB2 )) ASSI { 3555} (( segid " " and resid 181 and name HD3 )) (( segid " " and resid 181 and name HG3 )) 2.400 0.700 0.700 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.59747E-02 ppm1 3.230 ppm2 1.657 CV 1 OR { 3555} (( segid " " and resid 30 and name HD3 )) (( segid " " and resid 30 and name HG3 )) ASSI { 3559} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HB3 )) 3.000 1.100 1.100 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.41130E-02 ppm1 3.120 ppm2 1.883 CV 1 OR { 3559} (( segid " " and resid 35 and name HD3 )) (( segid " " and resid 35 and name HB2 )) ASSI { 3566} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG3 )) 3.300 1.400 1.400 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.25929E-02 ppm1 3.812 ppm2 1.666 CV 1 OR { 3566} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB3 )) ASSI { 3573} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 106 and name H )) 4.300 2.300 1.700 peak 3573 spectrum 1 weight 0.10000E+01 volume 0.96814E-03 ppm1 2.621 ppm2 7.280 CV 1 OR { 3573} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 85 and name HE22)) ASSI { 3577} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HA )) 3.900 1.900 1.900 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.14658E-02 ppm1 2.604 ppm2 4.255 CV 1 OR { 3577} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 174 and name HA )) ASSI { 3579} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 85 and name HB3 )) 4.400 2.400 1.600 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 2.607 ppm2 1.646 CV 1 OR { 3579} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 174 and name HB3 )) ASSI { 3580} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 106 and name HD3 )) 2.600 2.600 3.400 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.17636E-02 ppm1 2.598 ppm2 1.532 CV 1 OR { 3580} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 85 and name HB2 )) ASSI { 3581} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 83 and name HD2 )) 3.700 1.700 1.700 peak 3581 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 2.622 ppm2 1.463 CV 1 OR { 3581} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 106 and name HD2 )) ASSI { 3585} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 83 and name HG3 )) 3.500 1.500 1.500 peak 3585 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 2.619 ppm2 0.921 CV 1 OR { 3585} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 84 and name HB3 )) OR { 3585} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 83 and name HG2 )) ASSI { 3601} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 73 and name H )) 2.700 0.900 0.900 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.34392E-02 ppm1 0.824 ppm2 6.778 CV 1 OR { 3601} (( segid " " and resid 195 and name HG3 )) (( segid " " and resid 195 and name HE )) OR { 3601} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HE )) ASSI { 3606} (( segid " " and resid 181 and name HG2 )) (( segid " " and resid 181 and name HD3 )) 3.500 1.600 1.600 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 1.528 ppm2 3.176 CV 1 OR { 3606} (( segid " " and resid 73 and name HG )) (( segid " " and resid 71 and name HB3 )) ASSI { 3618} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 73 and name HB3 )) 2.400 0.700 0.700 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.43668E-02 ppm1 0.822 ppm2 1.313 CV 1 OR { 3618} (( segid " " and resid 121 and name HG13)) (( segid " " and resid 119 and name HG13)) ASSI { 3619} ( segid " " and resid 73 and name HD1%) (( segid " " and resid 73 and name HG )) 1.700 0.400 0.500 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.32030E-01 ppm1 0.789 ppm2 1.497 CV 1 OR { 3619} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 133 and name HG )) ASSI { 3620} ( segid " " and resid 73 and name HD2%) (( segid " " and resid 73 and name HG )) 2.300 0.600 0.600 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.91568E-02 ppm1 0.821 ppm2 1.487 CV 1 OR { 3620} (( segid " " and resid 195 and name HG2 )) (( segid " " and resid 195 and name HB3 )) OR { 3620} (( segid " " and resid 195 and name HG3 )) (( segid " " and resid 195 and name HB3 )) ASSI { 3621} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB3 )) 2.100 0.600 0.600 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.32056E-02 ppm1 1.498 ppm2 1.314 CV 1 OR { 3621} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 60 and name HG13)) OR { 3621} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HG )) ASSI { 3622} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 73 and name HD1%) 2.700 0.900 0.900 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.34901E-02 ppm1 1.493 ppm2 0.800 CV 1 OR { 3622} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 51 and name HD1%) OR { 3622} (( segid " " and resid 51 and name HB3 )) ( segid " " and resid 60 and name HD1%) OR { 3622} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 73 and name HD2%) ASSI { 3625} (( segid " " and resid 73 and name HG )) ( segid " " and resid 73 and name HD1%) 1.900 0.500 0.500 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.13348E-01 ppm1 1.508 ppm2 0.811 CV 1 OR { 3625} (( segid " " and resid 73 and name HG )) ( segid " " and resid 73 and name HD2%) OR { 3625} (( segid " " and resid 133 and name HG )) ( segid " " and resid 133 and name HD1%) ASSI { 3651} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HE )) 3.200 1.300 1.300 peak 3651 spectrum 1 weight 0.10000E+01 volume 0.12457E-02 ppm1 3.180 ppm2 7.385 CV 1 OR { 3651} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HE )) ASSI { 3654} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HE )) 2.900 1.000 1.000 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.35646E-02 ppm1 1.615 ppm2 7.369 CV 1 OR { 3654} (( segid " " and resid 40 and name HG )) (( segid " " and resid 40 and name H )) ASSI { 3655} (( segid " " and resid 74 and name HA )) (( segid " " and resid 4 and name HA )) 4.200 2.200 1.800 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.87674E-03 ppm1 4.452 ppm2 4.716 CV 1 OR { 3655} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HA )) ASSI { 3680} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 3680 spectrum 1 weight 0.10000E+01 volume 0.65603E-02 ppm1 1.560 ppm2 1.716 CV 1 OR { 3680} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HB3 )) ASSI { 3694} (( segid " " and resid 182 and name HA )) (( segid " " and resid 182 and name H )) 3.000 1.100 1.100 peak 3694 spectrum 1 weight 0.10000E+01 volume 0.21055E-02 ppm1 4.384 ppm2 8.007 CV 1 OR { 3694} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name H )) ASSI { 3704} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 2.100 0.600 0.600 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.14928E-01 ppm1 1.982 ppm2 4.129 CV 1 OR { 3704} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 135 and name HA )) ASSI { 3705} (( segid " " and resid 118 and name HB3 )) (( segid " " and resid 118 and name HA )) 2.000 0.500 0.500 peak 3705 spectrum 1 weight 0.10000E+01 volume 0.15436E-01 ppm1 1.896 ppm2 4.127 CV 1 OR { 3705} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HA )) ASSI { 3734} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name H )) 2.800 1.000 1.000 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.13777E-02 ppm1 1.991 ppm2 8.410 CV 1 OR { 3734} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name H )) ASSI { 3755} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HB3 )) 1.800 0.400 0.400 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.12288E-01 ppm1 2.013 ppm2 2.366 CV 1 OR { 3755} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HG3 )) ASSI { 3765} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 174 and name HD2%) 3.400 1.400 1.400 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.18618E-02 ppm1 1.984 ppm2 0.727 CV 1 OR { 3765} (( segid " " and resid 111 and name HB3 )) ( segid " " and resid 112 and name HD1%) OR { 3765} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 191 and name HD2%) ASSI { 3766} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 174 and name HD2%) 3.500 1.500 1.500 peak 3766 spectrum 1 weight 0.10000E+01 volume 0.17298E-02 ppm1 1.995 ppm2 0.683 CV 1 OR { 3766} (( segid " " and resid 111 and name HB3 )) ( segid " " and resid 115 and name HD1%) OR { 3766} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 174 and name HD1%) ASSI { 3776} (( segid " " and resid 88 and name HG )) (( segid " " and resid 89 and name H )) 4.300 2.300 1.700 peak 3776 spectrum 1 weight 0.10000E+01 volume 0.10359E-02 ppm1 1.290 ppm2 8.447 CV 1 OR { 3776} (( segid " " and resid 51 and name HG )) (( segid " " and resid 51 and name H )) ASSI { 3783} (( segid " " and resid 51 and name HB3 )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 1.505 ppm2 4.410 CV 1 OR { 3783} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 3806} (( segid " " and resid 51 and name HG )) ( segid " " and resid 51 and name HD1%) 2.100 0.600 0.600 peak 3806 spectrum 1 weight 0.10000E+01 volume 0.99285E-02 ppm1 1.299 ppm2 0.770 CV 1 OR { 3806} (( segid " " and resid 51 and name HG )) ( segid " " and resid 51 and name HD2%) OR { 3806} (( segid " " and resid 88 and name HG )) ( segid " " and resid 88 and name HD2%) ASSI { 3817} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 48 and name H )) 4.400 2.400 1.600 peak 3817 spectrum 1 weight 0.10000E+01 volume 0.70410E-03 ppm1 2.551 ppm2 8.603 CV 1 OR { 3817} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 45 and name H )) ASSI { 3823} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB3 )) 2.900 1.000 1.000 peak 3823 spectrum 1 weight 0.10000E+01 volume 0.11983E-02 ppm1 4.881 ppm2 1.855 CV 1 OR { 3823} (( segid " " and resid 8 and name HA )) (( segid " " and resid 79 and name HB3 )) ASSI { 3826} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HD3 )) 3.200 1.300 1.300 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.21394E-02 ppm1 1.792 ppm2 2.951 CV 1 OR { 3826} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HD2 )) OR { 3826} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HD3 )) OR { 3826} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 57 and name HE3 )) ASSI { 3827} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HG2 )) 2.600 0.900 0.900 peak 3827 spectrum 1 weight 0.10000E+01 volume 0.28503E-02 ppm1 1.787 ppm2 1.442 CV 1 OR { 3827} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HG3 )) OR { 3827} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 57 and name HG3 )) OR { 3827} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HG2 )) OR { 3827} (( segid " " and resid 57 and name HB3 )) (( segid " " and resid 57 and name HG2 )) ASSI { 3839} (( segid " " and resid -4 and name HG13)) (( segid " " and resid -4 and name HB )) 2.900 1.000 1.000 peak 3839 spectrum 1 weight 0.10000E+01 volume 0.35307E-02 ppm1 1.348 ppm2 1.728 CV 1 OR { 3839} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HB3 )) ASSI { 3848} (( segid " " and resid 90 and name HG12)) (( segid " " and resid 90 and name HB )) 2.600 0.900 0.900 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.27826E-02 ppm1 1.104 ppm2 1.646 CV 1 OR { 3848} (( segid " " and resid 90 and name HG12)) (( segid " " and resid 191 and name HB2 )) ASSI { 3852} (( segid " " and resid 90 and name HG13)) ( segid " " and resid 115 and name HD1%) 1.800 0.400 0.400 peak 3852 spectrum 1 weight 0.10000E+01 volume 0.11746E-01 ppm1 1.206 ppm2 0.635 CV 1 OR { 3852} (( segid " " and resid 90 and name HG13)) ( segid " " and resid 90 and name HD1%) OR { 3852} (( segid " " and resid 90 and name HG13)) ( segid " " and resid 90 and name HG2%) ASSI { 3854} (( segid " " and resid 90 and name HG13)) ( segid " " and resid 115 and name HG2%) 2.600 0.900 0.900 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.35713E-02 ppm1 1.212 ppm2 0.743 CV 1 OR { 3854} (( segid " " and resid 90 and name HG13)) (( segid " " and resid 115 and name HG12)) OR { 3854} (( segid " " and resid 119 and name HG12)) ( segid " " and resid 119 and name HG2%) ASSI { 3857} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name H )) 3.200 1.300 1.300 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 2.056 ppm2 8.448 CV 1 OR { 3857} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 64 and name H )) ASSI { 3858} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 63 and name H )) 3.300 1.400 1.400 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.33139E-02 ppm1 2.284 ppm2 8.439 CV 1 OR { 3858} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 64 and name H )) ASSI { 3864} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 64 and name H )) 3.300 1.300 1.300 peak 3864 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 1.930 ppm2 8.437 CV 1 OR { 3864} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name H )) ASSI { 3883} (( segid " " and resid 101 and name HB2 )) (( segid " " and resid 101 and name HG2 )) 2.900 1.000 1.000 peak 3883 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 1.918 ppm2 2.403 CV 1 OR { 3883} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HG2 )) ASSI { 3932} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 102 and name H )) 3.800 1.800 1.800 peak 3932 spectrum 1 weight 0.10000E+01 volume 0.71764E-03 ppm1 2.909 ppm2 8.808 CV 1 OR { 3932} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name H )) ASSI { 3947} (( segid " " and resid 131 and name HD2 )) ( segid " " and resid 174 and name HD1%) 2.600 0.800 0.800 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.28164E-02 ppm1 2.958 ppm2 0.699 CV 1 OR { 3947} (( segid " " and resid 131 and name HD2 )) ( segid " " and resid 174 and name HD2%) OR { 3947} (( segid " " and resid 131 and name HD2 )) ( segid " " and resid 185 and name HG1%) ASSI { 3952} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name H )) 1.900 0.500 0.500 peak 3952 spectrum 1 weight 0.10000E+01 volume 0.15802E-01 ppm1 4.129 ppm2 8.367 CV 1 OR { 3952} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name H )) ASSI { 3954} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name H )) 2.400 0.700 0.700 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.67162E-02 ppm1 4.166 ppm2 8.264 CV 1 OR { 3954} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name H )) ASSI { 3955} (( segid " " and resid 135 and name HA )) (( segid " " and resid 137 and name H )) 2.300 0.700 0.700 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.13283E-01 ppm1 4.138 ppm2 8.141 CV 1 OR { 3955} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name H )) ASSI { 3957} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 197 and name HD% ) 2.600 0.800 0.800 peak 3957 spectrum 1 weight 0.10000E+01 volume 0.33816E-02 ppm1 2.431 ppm2 7.005 CV 1 OR { 3957} (( segid " " and resid 197 and name HB2 )) ( segid " " and resid 199 and name HD% ) ASSI { 3964} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) 2.400 0.700 0.700 peak 3964 spectrum 1 weight 0.10000E+01 volume 0.83681E-02 ppm1 2.452 ppm2 4.169 CV 1 OR { 3964} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 126 and name HA )) ASSI { 3968} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG3 )) 2.500 0.800 0.800 peak 3968 spectrum 1 weight 0.10000E+01 volume 0.12210E-01 ppm1 4.129 ppm2 2.148 CV 1 OR { 3968} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG3 )) ASSI { 3969} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB2 )) 2.100 0.500 0.500 peak 3969 spectrum 1 weight 0.10000E+01 volume 0.16953E-01 ppm1 4.131 ppm2 1.980 CV 1 OR { 3969} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HB3 )) OR { 3969} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HG2 )) OR { 3969} (( segid " " and resid 135 and name HA )) ( segid " " and resid 134 and name HE% ) ASSI { 4012} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB3 )) 2.200 0.600 0.600 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.77520E-02 ppm1 4.101 ppm2 1.896 CV 1 OR { 4012} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB2 )) ASSI { 4013} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB3 )) 2.600 0.800 0.800 peak 4013 spectrum 1 weight 0.10000E+01 volume 0.38489E-02 ppm1 4.110 ppm2 1.789 CV 1 OR { 4013} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB3 )) OR { 4013} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 4027} (( segid " " and resid 118 and name HA )) ( segid " " and resid 119 and name HD1%) 4.500 2.500 1.500 peak 4027 spectrum 1 weight 0.10000E+01 volume 0.15098E-02 ppm1 4.107 ppm2 0.619 CV 1 OR { 4027} (( segid " " and resid 118 and name HA )) ( segid " " and resid 100 and name HD1%) ASSI { 4028} (( segid " " and resid 135 and name HB2 )) ( segid " " and resid 133 and name HD1%) 3.100 1.200 1.200 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 1.891 ppm2 0.761 CV 1 OR { 4028} (( segid " " and resid 118 and name HB3 )) ( segid " " and resid 119 and name HG2%) ASSI { 4031} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 115 and name HG2%) 3.500 1.500 1.500 peak 4031 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 1.956 ppm2 0.759 CV 1 OR { 4031} (( segid " " and resid 118 and name HB2 )) ( segid " " and resid 119 and name HG2%) ASSI { 4035} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 85 and name HB2 )) 1.900 0.400 0.400 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.14085E-01 ppm1 1.751 ppm2 1.561 CV 1 OR { 4035} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 101 and name HB3 )) ASSI { 4043} ( segid " " and resid 113 and name HE% ) (( segid " " and resid 113 and name HB2 )) 2.300 0.700 0.700 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.18395E-01 ppm1 1.751 ppm2 1.891 CV 1 OR { 4043} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 101 and name HB2 )) ASSI { 4049} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 114 and name HA )) 4.500 2.500 1.500 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.96137E-03 ppm1 1.898 ppm2 3.835 CV 1 OR { 4049} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 99 and name HB )) ASSI { 4055} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 101 and name HA )) 2.100 0.500 0.500 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.89705E-02 ppm1 1.749 ppm2 4.828 CV 1 OR { 4055} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 86 and name HA )) ASSI { 4056} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 87 and name HA )) 2.500 0.800 0.800 peak 4056 spectrum 1 weight 0.10000E+01 volume 0.60254E-02 ppm1 1.749 ppm2 4.648 CV 1 OR { 4056} ( segid " " and resid 101 and name HE% ) (( segid " " and resid 85 and name HA )) ASSI { 4071} (( segid " " and resid 183 and name HG2 )) ( segid " " and resid 174 and name HD2%) 4.200 2.200 1.800 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 2.259 ppm2 0.681 CV 1 OR { 4071} (( segid " " and resid 183 and name HG2 )) ( segid " " and resid 185 and name HG1%) ASSI { 4094} (( segid " " and resid 183 and name HG3 )) ( segid " " and resid 185 and name HG1%) 4.600 2.700 1.400 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.76843E-03 ppm1 2.526 ppm2 0.680 CV 1 OR { 4094} (( segid " " and resid 183 and name HG3 )) ( segid " " and resid 174 and name HD2%) ASSI { 4099} (( segid " " and resid 192 and name HG )) (( segid " " and resid 132 and name H )) 3.600 1.600 1.600 peak 4099 spectrum 1 weight 0.10000E+01 volume 0.93768E-03 ppm1 1.373 ppm2 8.641 CV 1 OR { 4099} (( segid " " and resid 193 and name HG )) (( segid " " and resid 194 and name H )) ASSI { 4101} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 194 and name H )) 2.800 1.000 1.000 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.83748E-02 ppm1 0.723 ppm2 8.648 CV 1 OR { 4101} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 132 and name H )) ASSI { 4104} (( segid " " and resid 91 and name HG3 )) (( segid " " and resid 91 and name HA )) 3.200 1.200 1.200 peak 4104 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 1.373 ppm2 4.864 CV 1 OR { 4104} (( segid " " and resid 193 and name HG )) (( segid " " and resid 193 and name HA )) OR { 4104} (( segid " " and resid 192 and name HG )) (( segid " " and resid 191 and name HA )) ASSI { 4106} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 2.200 0.600 0.600 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.10778E-01 ppm1 0.695 ppm2 4.712 CV 1 OR { 4106} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 192 and name HA )) ASSI { 4108} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 112 and name HB2 )) 2.100 0.600 0.600 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.12532E-01 ppm1 0.695 ppm2 1.656 CV 1 OR { 4108} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 74 and name HB3 )) ASSI { 4109} ( segid " " and resid 192 and name HD2%) (( segid " " and resid 192 and name HG )) 1.800 0.400 0.400 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.35067E-01 ppm1 0.695 ppm2 1.418 CV 1 OR { 4109} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 171 and name HG )) ASSI { 4114} (( segid " " and resid 192 and name HG )) ( segid " " and resid 190 and name HG2%) 3.800 1.800 1.800 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 1.384 ppm2 0.956 CV 1 OR { 4114} (( segid " " and resid 193 and name HG )) ( segid " " and resid 93 and name HD1%) OR { 4114} (( segid " " and resid 193 and name HG )) ( segid " " and resid 93 and name HD2%) ASSI { 4115} (( segid " " and resid 192 and name HG )) ( segid " " and resid 192 and name HD2%) 2.100 0.600 0.600 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.11594E-01 ppm1 1.369 ppm2 0.712 CV 1 OR { 4115} (( segid " " and resid 192 and name HG )) ( segid " " and resid 192 and name HD1%) OR { 4115} (( segid " " and resid 193 and name HG )) ( segid " " and resid 193 and name HD2%) ASSI { 4121} (( segid " " and resid 191 and name HA )) ( segid " " and resid 191 and name HD2%) 2.900 1.000 1.000 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.47526E-02 ppm1 4.898 ppm2 0.755 CV 1 OR { 4121} (( segid " " and resid 191 and name HA )) ( segid " " and resid 192 and name HD1%) ASSI { 4131} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 73 and name HD2%) 4.400 2.500 1.600 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 2.440 ppm2 0.822 CV 1 OR { 4131} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 73 and name HD1%) OR { 4131} (( segid " " and resid 197 and name HB2 )) (( segid " " and resid 196 and name HB3 )) ASSI { 4136} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 61 and name HZ2 )) 4.300 2.300 1.700 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.61269E-03 ppm1 2.439 ppm2 7.160 CV 1 OR { 4136} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 61 and name HZ2 )) ASSI { 4138} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 61 and name HH2 )) 4.100 2.100 1.900 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.83273E-03 ppm1 2.433 ppm2 6.490 CV 1 OR { 4138} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 61 and name HH2 )) OR { 4138} (( segid " " and resid 50 and name HB2 )) ( segid " " and resid 50 and name HE% ) ASSI { 4139} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 51 and name H )) 4.800 2.900 1.200 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.60931E-03 ppm1 2.435 ppm2 8.419 CV 1 OR { 4139} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 83 and name H )) ASSI { 4146} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HB2 )) 1.800 0.400 0.400 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.70987E-02 ppm1 2.140 ppm2 2.433 CV 1 OR { 4146} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 82 and name HD2 )) OR { 4146} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 50 and name HB2 )) ASSI { 4148} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 80 and name HB3 )) 3.900 1.900 1.900 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 2.432 ppm2 1.973 CV 1 OR { 4148} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 80 and name HB3 )) OR { 4148} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 80 and name HB2 )) ASSI { 4149} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 80 and name HB3 )) 2.800 1.000 1.000 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.17400E-02 ppm1 2.140 ppm2 1.990 CV 1 OR { 4149} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 80 and name HB2 )) OR { 4149} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 80 and name HB3 )) ASSI { 4155} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 82 and name HG3 )) 3.100 1.200 1.200 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.14421E-02 ppm1 2.439 ppm2 1.545 CV 1 OR { 4155} (( segid " " and resid 82 and name HD2 )) (( segid " " and resid 82 and name HG3 )) ASSI { 4166} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 102 and name HB )) 2.400 2.400 3.600 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.21766E-02 ppm1 1.138 ppm2 1.966 CV 1 OR { 4166} ( segid " " and resid 0 and name HG2%) (( segid " " and resid 21 and name HG3 )) ASSI { 4192} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 14 and name HA )) 4.300 2.400 1.700 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.60592E-03 ppm1 1.491 ppm2 4.976 CV 1 OR { 4192} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HA )) ASSI { 4198} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HG2 )) 2.300 0.600 0.600 peak 4198 spectrum 1 weight 0.10000E+01 volume 0.54602E-02 ppm1 1.510 ppm2 1.303 CV 1 OR { 4198} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HG2 )) OR { 4198} (( segid " " and resid 98 and name HB3 )) (( segid " " and resid 98 and name HG3 )) ASSI { 4222} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HA )) 3.500 1.500 1.500 peak 4222 spectrum 1 weight 0.10000E+01 volume 0.19024E-02 ppm1 1.248 ppm2 4.681 CV 1 OR { 4222} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HA )) ASSI { 4223} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HA )) 2.900 1.100 1.100 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.22409E-02 ppm1 1.309 ppm2 4.676 CV 1 OR { 4223} (( segid " " and resid 89 and name HG3 )) (( segid " " and resid 89 and name HA )) ASSI { 4231} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 138 and name HB3 )) 2.300 0.700 0.700 peak 4231 spectrum 1 weight 0.10000E+01 volume 0.78569E-02 ppm1 1.344 ppm2 1.789 CV 1 OR { 4231} (( segid " " and resid 89 and name HG3 )) (( segid " " and resid 89 and name HB3 )) OR { 4231} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HB3 )) OR { 4231} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name HB3 )) ASSI { 4232} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 138 and name HB3 )) 2.200 0.600 0.600 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.92922E-02 ppm1 1.314 ppm2 1.792 CV 1 OR { 4232} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HB3 )) OR { 4232} (( segid " " and resid 89 and name HG3 )) (( segid " " and resid 89 and name HB3 )) OR { 4232} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HB3 )) ASSI { 4233} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HD3 )) 2.100 0.500 0.500 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.13994E-01 ppm1 1.312 ppm2 1.690 CV 1 OR { 4233} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HB2 )) OR { 4233} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 138 and name HB2 )) OR { 4233} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HB2 )) ASSI { 4235} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name HD3 )) 2.000 0.500 0.500 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.18357E-01 ppm1 1.318 ppm2 1.587 CV 1 OR { 4235} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 138 and name HD2 )) OR { 4235} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HD3 )) OR { 4235} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 138 and name HD3 )) OR { 4235} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name HD2 )) ASSI { 4236} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 36 and name HG12)) 3.000 1.100 1.100 peak 4236 spectrum 1 weight 0.10000E+01 volume 0.21868E-02 ppm1 1.255 ppm2 0.912 CV 1 OR { 4236} (( segid " " and resid 89 and name HG2 )) ( segid " " and resid 99 and name HG2%) ASSI { 4237} (( segid " " and resid 15 and name HG2 )) ( segid " " and resid 13 and name HG2%) 2.900 1.000 1.000 peak 4237 spectrum 1 weight 0.10000E+01 volume 0.44445E-02 ppm1 1.307 ppm2 0.818 CV 1 OR { 4237} (( segid " " and resid 15 and name HG2 )) ( segid " " and resid 36 and name HG2%) ASSI { 4239} (( segid " " and resid 15 and name HG3 )) ( segid " " and resid 36 and name HD1%) 2.900 1.100 1.100 peak 4239 spectrum 1 weight 0.10000E+01 volume 0.28368E-02 ppm1 1.252 ppm2 0.672 CV 1 OR { 4239} (( segid " " and resid 98 and name HG2 )) ( segid " " and resid 90 and name HG2%) ASSI { 4241} (( segid " " and resid 15 and name HG2 )) ( segid " " and resid 13 and name HG1%) 3.200 1.300 1.300 peak 4241 spectrum 1 weight 0.10000E+01 volume 0.23019E-02 ppm1 1.306 ppm2 0.909 CV 1 OR { 4241} (( segid " " and resid 89 and name HG2 )) ( segid " " and resid 99 and name HG2%) OR { 4241} (( segid " " and resid 89 and name HG3 )) ( segid " " and resid 99 and name HG2%) ASSI { 4249} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 8 and name H )) 3.800 1.800 1.800 peak 4249 spectrum 1 weight 0.10000E+01 volume 0.75489E-03 ppm1 1.366 ppm2 9.047 CV 1 OR { 4249} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 79 and name H )) ASSI { 4251} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 79 and name H )) 4.100 2.100 1.900 peak 4251 spectrum 1 weight 0.10000E+01 volume 0.75150E-03 ppm1 1.827 ppm2 9.049 CV 1 OR { 4251} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 8 and name H )) ASSI { 4266} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 16 and name HA )) 4.300 2.300 1.700 peak 4266 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 1.346 ppm2 4.968 CV 1 OR { 4266} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 14 and name HA )) ASSI { 4273} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 16 and name HA )) 3.800 1.800 1.800 peak 4273 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 1.206 ppm2 4.949 CV 1 OR { 4273} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 6 and name HA )) ASSI { 4275} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HA )) 3.300 1.400 1.400 peak 4275 spectrum 1 weight 0.10000E+01 volume 0.26539E-02 ppm1 1.140 ppm2 4.502 CV 1 OR { 4275} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HA )) ASSI { 4279} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HE3 )) 3.400 1.500 1.500 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.23831E-02 ppm1 1.141 ppm2 2.796 CV 1 OR { 4279} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HE3 )) OR { 4279} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HE2 )) ASSI { 4281} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HE2 )) 2.000 0.500 0.500 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.20619E-01 ppm1 1.460 ppm2 2.797 CV 1 OR { 4281} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 83 and name HE2 )) OR { 4281} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 89 and name HE3 )) OR { 4281} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HE3 )) OR { 4281} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 89 and name HE2 )) OR { 4281} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HE2 )) OR { 4281} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HE3 )) OR { 4281} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 83 and name HE2 )) ASSI { 4283} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HE3 )) 3.900 1.900 1.900 peak 4283 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 1.806 ppm2 2.801 CV 1 OR { 4283} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HE2 )) OR { 4283} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HE2 )) ASSI { 4286} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HB2 )) 2.700 0.900 0.900 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.61135E-02 ppm1 1.463 ppm2 1.822 CV 1 OR { 4286} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HB2 )) OR { 4286} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 89 and name HB2 )) ASSI { 4288} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HD3 )) 3.100 1.200 1.200 peak 4288 spectrum 1 weight 0.10000E+01 volume 0.29281E-02 ppm1 1.826 ppm2 1.459 CV 1 OR { 4288} (( segid " " and resid 89 and name HB2 )) (( segid " " and resid 89 and name HD3 )) OR { 4288} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HD2 )) OR { 4288} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HD2 )) OR { 4288} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HD3 )) ASSI { 4297} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 89 and name HG3 )) 2.100 0.500 0.500 peak 4297 spectrum 1 weight 0.10000E+01 volume 0.13429E-01 ppm1 1.459 ppm2 1.344 CV 1 OR { 4297} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HB3 )) OR { 4297} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 83 and name HB2 )) OR { 4297} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HB3 )) ASSI { 4299} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HB3 )) 1.900 0.500 0.500 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.10257E-01 ppm1 1.803 ppm2 1.331 CV 1 OR { 4299} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HG2 )) OR { 4299} (( segid " " and resid 89 and name HB3 )) (( segid " " and resid 89 and name HG3 )) OR { 4299} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HG3 )) ASSI { 4300} (( segid " " and resid 89 and name HB3 )) ( segid " " and resid 97 and name HG2%) 3.100 1.200 1.200 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.36729E-02 ppm1 1.817 ppm2 0.702 CV 1 OR { 4300} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 14 and name HG2%) ASSI { 4304} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HD2 )) 2.300 0.700 0.700 peak 4304 spectrum 1 weight 0.10000E+01 volume 0.59747E-02 ppm1 1.146 ppm2 1.460 CV 1 OR { 4304} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HD3 )) OR { 4304} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HD2 )) ASSI { 4306} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HB2 )) 2.500 0.800 0.800 peak 4306 spectrum 1 weight 0.10000E+01 volume 0.31449E-02 ppm1 1.146 ppm2 1.832 CV 1 OR { 4306} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HB2 )) ASSI { 4308} (( segid " " and resid 106 and name HG3 )) ( segid " " and resid 102 and name HG1%) 3.900 1.900 1.900 peak 4308 spectrum 1 weight 0.10000E+01 volume 0.21665E-02 ppm1 1.147 ppm2 0.712 CV 1 OR { 4308} (( segid " " and resid 7 and name HG3 )) ( segid " " and resid 14 and name HG2%) ASSI { 4309} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HD3 )) 2.400 0.700 0.700 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.71155E-02 ppm1 1.799 ppm2 1.597 CV 1 OR { 4309} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HD2 )) OR { 4309} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 138 and name HD2 )) ASSI { 4310} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HD2 )) 2.300 0.600 0.600 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.96409E-02 ppm1 1.696 ppm2 1.597 CV 1 OR { 4310} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HD2 )) OR { 4310} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HD3 )) OR { 4310} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HD2 )) OR { 4310} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HD3 )) ASSI { 4340} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 43 and name HB2 )) 1.800 0.400 0.400 peak 4340 spectrum 1 weight 0.10000E+01 volume 0.10853E-01 ppm1 2.327 ppm2 1.972 CV 1 OR { 4340} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HG3 )) OR { 4340} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 43 and name HG3 )) ASSI { 4345} (( segid " " and resid 32 and name HB )) ( segid " " and resid 17 and name HE% ) 3.700 1.700 1.700 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 1.567 ppm2 1.685 CV 1 OR { 4345} (( segid " " and resid 32 and name HB )) (( segid " " and resid 8 and name HG13)) ASSI { 4346} (( segid " " and resid 32 and name HA )) ( segid " " and resid 17 and name HE% ) 2.600 0.800 0.800 peak 4346 spectrum 1 weight 0.10000E+01 volume 0.28097E-02 ppm1 3.226 ppm2 1.688 CV 1 OR { 4346} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HG2 )) ASSI { 4347} (( segid " " and resid 32 and name HG13)) (( segid " " and resid 8 and name HG13)) 4.100 2.100 1.900 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.76166E-03 ppm1 0.976 ppm2 1.684 CV 1 OR { 4347} (( segid " " and resid 32 and name HG13)) ( segid " " and resid 17 and name HE% ) OR { 4347} (( segid " " and resid 32 and name HG12)) (( segid " " and resid 8 and name HG13)) OR { 4347} (( segid " " and resid 32 and name HG12)) ( segid " " and resid 17 and name HE% ) ASSI { 4349} (( segid " " and resid 33 and name HA )) ( segid " " and resid 39 and name HB% ) 2.900 1.000 1.000 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.32327E-02 ppm1 3.557 ppm2 1.113 CV 1 OR { 4349} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG3 )) ASSI { 4359} (( segid " " and resid 33 and name HA )) (( segid " " and resid 36 and name H )) 3.900 1.900 1.900 peak 4359 spectrum 1 weight 0.10000E+01 volume 0.65671E-03 ppm1 3.557 ppm2 7.991 CV 1 OR { 4359} (( segid " " and resid 33 and name HA )) (( segid " " and resid 39 and name H )) ASSI { 4394} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 44 and name HB3 )) 3.800 1.800 1.800 peak 4394 spectrum 1 weight 0.10000E+01 volume 0.19464E-02 ppm1 3.802 ppm2 1.984 CV 1 OR { 4394} (( segid " " and resid 44 and name HD2 )) (( segid " " and resid 43 and name HB2 )) ASSI { 4405} (( segid " " and resid 169 and name HA )) (( segid " " and resid 170 and name H )) 2.200 0.600 0.600 peak 4405 spectrum 1 weight 0.10000E+01 volume 0.10616E-01 ppm1 4.454 ppm2 7.889 CV 1 OR { 4405} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name H )) ASSI { 4408} (( segid " " and resid 46 and name HA )) (( segid " " and resid 84 and name H )) 4.400 2.400 1.600 peak 4408 spectrum 1 weight 0.10000E+01 volume 0.75489E-03 ppm1 4.464 ppm2 8.100 CV 1 OR { 4408} (( segid " " and resid 169 and name HA )) (( segid " " and resid 138 and name H )) ASSI { 4413} (( segid " " and resid 84 and name HE3 )) (( segid " " and resid 48 and name HA3 )) 3.100 1.200 1.200 peak 4413 spectrum 1 weight 0.10000E+01 volume 0.18754E-02 ppm1 2.328 ppm2 4.472 CV 1 OR { 4413} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) ASSI { 4415} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB3 )) 2.200 0.600 0.600 peak 4415 spectrum 1 weight 0.10000E+01 volume 0.13283E-01 ppm1 4.455 ppm2 2.644 CV 1 OR { 4415} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB3 )) ASSI { 4416} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 103 and name HB2 )) 2.200 0.600 0.600 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.29619E-02 ppm1 2.637 ppm2 2.308 CV 1 OR { 4416} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 46 and name HB2 )) ASSI { 4442} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HA )) 3.400 1.400 1.400 peak 4442 spectrum 1 weight 0.10000E+01 volume 0.19566E-02 ppm1 2.020 ppm2 4.044 CV 1 OR { 4442} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HD2 )) ASSI { 4455} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HB2 )) 1.700 0.400 0.500 peak 4455 spectrum 1 weight 0.10000E+01 volume 0.23107E-01 ppm1 2.358 ppm2 2.018 CV 1 OR { 4455} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HG3 )) OR { 4455} (( segid " " and resid 72 and name HG3 )) (( segid " " and resid 72 and name HB2 )) ASSI { 4458} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HD3 )) 2.900 1.000 1.000 peak 4458 spectrum 1 weight 0.10000E+01 volume 0.26267E-02 ppm1 4.137 ppm2 1.635 CV 1 OR { 4458} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HG2 )) OR { 4458} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HD2 )) ASSI { 4479} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HE3 )) 1.900 0.500 0.500 peak 4479 spectrum 1 weight 0.10000E+01 volume 0.25828E-01 ppm1 1.622 ppm2 2.921 CV 1 OR { 4479} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HE3 )) OR { 4479} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HE2 )) OR { 4479} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name HE2 )) OR { 4479} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HE3 )) OR { 4479} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HE2 )) OR { 4479} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HE3 )) OR { 4479} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 138 and name HE2 )) OR { 4479} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HE2 )) OR { 4479} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HE2 )) OR { 4479} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HE2 )) OR { 4479} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HE3 )) ASSI { 4480} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HE3 )) 1.800 0.400 0.400 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.33844E-01 ppm1 1.594 ppm2 2.902 CV 1 OR { 4480} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HE2 )) OR { 4480} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HE2 )) OR { 4480} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 138 and name HE3 )) OR { 4480} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name HE2 )) OR { 4480} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HE3 )) OR { 4480} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HE2 )) OR { 4480} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HE3 )) OR { 4480} (( segid " " and resid 138 and name HD2 )) (( segid " " and resid 138 and name HE3 )) OR { 4480} (( segid " " and resid 138 and name HD3 )) (( segid " " and resid 138 and name HE2 )) OR { 4480} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HE2 )) OR { 4480} (( segid " " and resid 137 and name HD2 )) (( segid " " and resid 137 and name HE2 )) OR { 4480} (( segid " " and resid 137 and name HD3 )) (( segid " " and resid 137 and name HE3 )) ASSI { 4481} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 138 and name H )) 3.100 1.200 1.200 peak 4481 spectrum 1 weight 0.10000E+01 volume 0.17535E-02 ppm1 2.914 ppm2 8.103 CV 1 OR { 4481} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 137 and name H )) ASSI { 4493} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name H )) 4.200 2.200 1.800 peak 4493 spectrum 1 weight 0.10000E+01 volume 0.75150E-03 ppm1 1.182 ppm2 8.472 CV 1 OR { 4493} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 51 and name H )) ASSI { 4503} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name H )) 3.400 1.500 1.500 peak 4503 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 4.373 ppm2 7.894 CV 1 OR { 4503} (( segid " " and resid 1 and name HA )) (( segid " " and resid 3 and name H )) ASSI { 4504} (( segid " " and resid 125 and name HA )) (( segid " " and resid 127 and name H )) 3.600 1.600 1.600 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.12423E-02 ppm1 4.433 ppm2 7.831 CV 1 OR { 4504} (( segid " " and resid 1 and name HA )) (( segid " " and resid 3 and name H )) ASSI { 4506} (( segid " " and resid 178 and name HA )) (( segid " " and resid 177 and name HA2 )) 4.100 2.100 1.900 peak 4506 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 4.892 ppm2 3.696 CV 1 OR { 4506} (( segid " " and resid 79 and name HA )) (( segid " " and resid 52 and name HB2 )) ASSI { 4522} ( segid " " and resid 180 and name HD1%) ( segid " " and resid 111 and name HE% ) 2.300 0.700 0.700 peak 4522 spectrum 1 weight 0.10000E+01 volume 0.64893E-02 ppm1 0.739 ppm2 1.942 CV 1 OR { 4522} ( segid " " and resid 180 and name HD1%) (( segid " " and resid 180 and name HB2 )) ASSI { 4523} ( segid " " and resid 180 and name HD2%) ( segid " " and resid 111 and name HE% ) 2.600 0.900 0.900 peak 4523 spectrum 1 weight 0.10000E+01 volume 0.37235E-02 ppm1 0.595 ppm2 1.941 CV 1 OR { 4523} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 180 and name HB2 )) ASSI { 4531} (( segid " " and resid 181 and name HA )) (( segid " " and resid 182 and name H )) 3.400 1.500 1.500 peak 4531 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 3.975 ppm2 8.005 CV 1 OR { 4531} (( segid " " and resid 181 and name HA )) (( segid " " and resid 181 and name HE )) ASSI { 4534} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 181 and name HE )) 3.500 1.500 1.500 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 2.092 ppm2 8.020 CV 1 OR { 4534} (( segid " " and resid 181 and name HB2 )) (( segid " " and resid 182 and name H )) ASSI { 4535} (( segid " " and resid 181 and name HB3 )) (( segid " " and resid 182 and name H )) 3.600 1.600 1.600 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 1.806 ppm2 8.020 CV 1 OR { 4535} (( segid " " and resid 181 and name HB3 )) (( segid " " and resid 181 and name HE )) ASSI { 4538} (( segid " " and resid 189 and name HB3 )) (( segid " " and resid 189 and name HA )) 3.200 1.300 1.300 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 1.826 ppm2 3.979 CV 1 OR { 4538} (( segid " " and resid 181 and name HB3 )) (( segid " " and resid 181 and name HA )) ASSI { 4546} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 174 and name H )) 3.600 1.600 1.600 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.29314E-02 ppm1 0.664 ppm2 8.439 CV 1 OR { 4546} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 131 and name H )) ASSI { 4547} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 174 and name H )) 2.700 0.900 0.900 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.47730E-02 ppm1 0.680 ppm2 8.441 CV 1 OR { 4547} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 131 and name H )) ASSI { 4549} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 177 and name H )) 3.300 1.300 1.300 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 0.665 ppm2 8.779 CV 1 OR { 4549} ( segid " " and resid 174 and name HD1%) (( segid " " and resid 109 and name H )) ASSI { 4641} (( segid " " and resid 170 and name HB3 )) (( segid " " and resid 171 and name H )) 2.400 0.700 0.700 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.42008E-02 ppm1 1.936 ppm2 8.193 CV 1 OR { 4641} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 65 and name H )) ASSI { 4648} (( segid " " and resid 170 and name HG2 )) (( segid " " and resid 169 and name HA )) 4.200 2.200 1.800 peak 4648 spectrum 1 weight 0.10000E+01 volume 0.18889E-02 ppm1 2.146 ppm2 4.426 CV 1 OR { 4648} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 169 and name HA )) OR { 4648} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 169 and name HA )) ASSI { 4657} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 133 and name HB2 )) 2.800 1.000 1.000 peak 4657 spectrum 1 weight 0.10000E+01 volume 0.48474E-02 ppm1 2.140 ppm2 1.581 CV 1 OR { 4657} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 137 and name HD2 )) OR { 4657} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 137 and name HD3 )) ASSI { 4659} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 137 and name HG3 )) 3.000 1.100 1.100 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.36863E-02 ppm1 2.142 ppm2 1.337 CV 1 OR { 4659} (( segid " " and resid 170 and name HG3 )) (( segid " " and resid 138 and name HG2 )) ASSI { 4661} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 138 and name HG3 )) 4.000 2.000 2.000 peak 4661 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 1.793 ppm2 1.359 CV 1 OR { 4661} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 171 and name HB2 )) ASSI { 4667} (( segid " " and resid 63 and name HA )) ( segid " " and resid 25 and name HG1%) 3.500 1.500 1.500 peak 4667 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 4.213 ppm2 0.709 CV 1 OR { 4667} (( segid " " and resid 170 and name HA )) ( segid " " and resid 171 and name HD1%) ASSI { 4673} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 46 and name HA )) 2.200 0.600 0.600 peak 4673 spectrum 1 weight 0.10000E+01 volume 0.94682E-02 ppm1 2.596 ppm2 4.453 CV 1 OR { 4673} (( segid " " and resid 169 and name HB2 )) (( segid " " and resid 169 and name HA )) ASSI { 4686} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 138 and name H )) 2.100 0.600 0.600 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.54026E-02 ppm1 1.695 ppm2 8.107 CV 1 OR { 4686} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name H )) ASSI { 4690} (( segid " " and resid 138 and name HG3 )) (( segid " " and resid 169 and name H )) 4.100 2.100 1.900 peak 4690 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 1.344 ppm2 8.324 CV 1 OR { 4690} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 169 and name H )) OR { 4690} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 136 and name H )) ASSI { 4692} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name H )) 2.800 1.000 1.000 peak 4692 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 1.345 ppm2 8.098 CV 1 OR { 4692} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name H )) OR { 4692} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 138 and name H )) ASSI { 4693} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 137 and name H )) 3.700 1.700 1.700 peak 4693 spectrum 1 weight 0.10000E+01 volume 0.23019E-02 ppm1 1.313 ppm2 8.098 CV 1 OR { 4693} (( segid " " and resid 138 and name HG2 )) (( segid " " and resid 138 and name H )) OR { 4693} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 138 and name H )) ASSI { 4704} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 138 and name HE3 )) 4.100 2.100 1.900 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.15334E-02 ppm1 1.796 ppm2 2.907 CV 1 OR { 4704} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 138 and name HE2 )) OR { 4704} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HE2 )) OR { 4704} (( segid " " and resid 137 and name HB3 )) (( segid " " and resid 137 and name HE3 )) ASSI { 4705} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HE2 )) 3.500 1.500 1.500 peak 4705 spectrum 1 weight 0.10000E+01 volume 0.18990E-02 ppm1 1.692 ppm2 2.905 CV 1 OR { 4705} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 55 and name HB2 )) OR { 4705} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HE3 )) OR { 4705} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HE2 )) OR { 4705} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HE2 )) OR { 4705} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HE3 )) ASSI { 4707} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 118 and name HG3 )) 2.200 0.600 0.600 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.49829E-02 ppm1 2.909 ppm2 1.787 CV 1 OR { 4707} (( segid " " and resid 137 and name HE2 )) (( segid " " and resid 137 and name HB3 )) ASSI { 4708} (( segid " " and resid 58 and name HE3 )) (( segid " " and resid 58 and name HD3 )) 1.600 0.300 0.600 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.61078E-01 ppm1 2.909 ppm2 1.597 CV 1 OR { 4708} (( segid " " and resid 137 and name HE2 )) (( segid " " and resid 137 and name HD3 )) OR { 4708} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 138 and name HD3 )) OR { 4708} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 138 and name HD2 )) OR { 4708} (( segid " " and resid 137 and name HE3 )) (( segid " " and resid 137 and name HD2 )) OR { 4708} (( segid " " and resid 58 and name HE2 )) (( segid " " and resid 58 and name HD3 )) OR { 4708} (( segid " " and resid 58 and name HE3 )) (( segid " " and resid 58 and name HD2 )) OR { 4708} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 138 and name HD2 )) OR { 4708} (( segid " " and resid 138 and name HE2 )) (( segid " " and resid 138 and name HD3 )) OR { 4708} (( segid " " and resid 58 and name HE2 )) (( segid " " and resid 58 and name HD2 )) OR { 4708} (( segid " " and resid 137 and name HE2 )) (( segid " " and resid 137 and name HD2 )) OR { 4708} (( segid " " and resid 137 and name HE3 )) (( segid " " and resid 137 and name HD3 )) ASSI { 4710} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB3 )) 2.300 0.700 0.700 peak 4710 spectrum 1 weight 0.10000E+01 volume 0.10890E-01 ppm1 4.197 ppm2 1.784 CV 1 OR { 4710} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HG2 )) ASSI { 4714} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HG2 )) 2.200 0.600 0.600 peak 4714 spectrum 1 weight 0.10000E+01 volume 0.11090E-01 ppm1 1.695 ppm2 1.332 CV 1 OR { 4714} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HG3 )) OR { 4714} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HG2 )) OR { 4714} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HG3 )) OR { 4714} (( segid " " and resid 137 and name HB2 )) (( segid " " and resid 137 and name HG2 )) ASSI { 4715} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 98 and name HG3 )) 1.800 0.400 0.400 peak 4715 spectrum 1 weight 0.10000E+01 volume 0.29575E-01 ppm1 2.908 ppm2 1.317 CV 1 OR { 4715} (( segid " " and resid 137 and name HE2 )) (( segid " " and resid 137 and name HG2 )) OR { 4715} (( segid " " and resid 138 and name HE3 )) (( segid " " and resid 138 and name HG3 )) ASSI { 4718} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 137 and name H )) 2.700 0.900 0.900 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.27048E-02 ppm1 1.359 ppm2 8.122 CV 1 OR { 4718} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 138 and name H )) ASSI { 4722} (( segid " " and resid 104 and name HA )) (( segid " " and resid 86 and name HD3 )) 4.600 2.600 1.400 peak 4722 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 4.258 ppm2 2.908 CV 1 OR { 4722} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HE2 )) OR { 4722} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HE3 )) ASSI { 4727} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 138 and name H )) 2.000 0.500 0.500 peak 4727 spectrum 1 weight 0.10000E+01 volume 0.28707E-02 ppm1 1.982 ppm2 8.139 CV 1 OR { 4727} (( segid " " and resid 135 and name HB3 )) (( segid " " and resid 137 and name H )) ASSI { 4728} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 137 and name H )) 3.600 1.600 1.600 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.26200E-02 ppm1 1.894 ppm2 8.139 CV 1 OR { 4728} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 137 and name H )) ASSI { 4733} (( segid " " and resid 170 and name HG3 )) (( segid " " and resid 170 and name HB3 )) 1.900 0.400 0.400 peak 4733 spectrum 1 weight 0.10000E+01 volume 0.49831E-01 ppm1 2.146 ppm2 1.975 CV 1 OR { 4733} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) OR { 4733} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HB2 )) ASSI { 4734} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HB2 )) 1.700 0.400 0.500 peak 4734 spectrum 1 weight 0.10000E+01 volume 0.37956E-01 ppm1 2.145 ppm2 1.906 CV 1 OR { 4734} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HB3 )) OR { 4734} (( segid " " and resid 170 and name HG3 )) (( segid " " and resid 170 and name HB3 )) OR { 4734} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 135 and name HB2 )) ASSI { 4735} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HG2 )) 1.900 0.400 0.400 peak 4735 spectrum 1 weight 0.10000E+01 volume 0.24481E-01 ppm1 1.897 ppm2 2.148 CV 1 OR { 4735} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HG2 )) OR { 4735} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HG3 )) OR { 4735} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HG3 )) ASSI { 4742} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 1 and name HA )) 2.900 1.100 1.100 peak 4742 spectrum 1 weight 0.10000E+01 volume 0.46309E-02 ppm1 2.541 ppm2 4.411 CV 1 OR { 4742} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name HA )) ASSI { 4744} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HG3 )) 1.500 0.300 0.700 peak 4744 spectrum 1 weight 0.10000E+01 volume 0.25510E-01 ppm1 2.411 ppm2 2.545 CV 1 OR { 4744} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HG3 )) ASSI { 4745} (( segid " " and resid 134 and name HG2 )) (( segid " " and resid 134 and name HB3 )) 2.300 0.600 0.600 peak 4745 spectrum 1 weight 0.10000E+01 volume 0.59815E-02 ppm1 2.413 ppm2 1.908 CV 1 OR { 4745} (( segid " " and resid 101 and name HG2 )) (( segid " " and resid 101 and name HB2 )) ASSI { 4748} (( segid " " and resid 101 and name HG2 )) ( segid " " and resid 100 and name HG2%) 4.700 2.800 1.300 peak 4748 spectrum 1 weight 0.10000E+01 volume 0.83950E-03 ppm1 2.424 ppm2 0.692 CV 1 OR { 4748} (( segid " " and resid 101 and name HG2 )) ( segid " " and resid 102 and name HG2%) ASSI { 4751} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 134 and name H )) 2.400 0.700 0.700 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.38522E-02 ppm1 1.485 ppm2 8.197 CV 1 OR { 4751} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 133 and name H )) ASSI { 4753} (( segid " " and resid 133 and name HA )) (( segid " " and resid 134 and name H )) 2.200 0.600 0.600 peak 4753 spectrum 1 weight 0.10000E+01 volume 0.11513E-01 ppm1 4.301 ppm2 8.190 CV 1 OR { 4753} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name H )) ASSI { 4760} (( segid " " and resid 133 and name HG )) (( segid " " and resid 133 and name HA )) 3.100 1.200 1.200 peak 4760 spectrum 1 weight 0.10000E+01 volume 0.30128E-02 ppm1 1.502 ppm2 4.299 CV 1 OR { 4760} (( segid " " and resid 4 and name HG )) (( segid " " and resid 3 and name HA )) ASSI { 4761} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 131 and name HD3 )) 3.900 1.900 1.900 peak 4761 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 0.826 ppm2 3.063 CV 1 OR { 4761} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 33 and name HD2 )) OR { 4761} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 33 and name HD3 )) ASSI { 4767} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 189 and name HG3 )) 3.400 1.400 1.400 peak 4767 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 1.484 ppm2 1.981 CV 1 OR { 4767} (( segid " " and resid 133 and name HB3 )) ( segid " " and resid 134 and name HE% ) ASSI { 4770} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 135 and name HB2 )) 3.800 1.800 1.800 peak 4770 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 1.578 ppm2 1.905 CV 1 OR { 4770} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 134 and name HB3 )) ASSI { 4771} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 131 and name HB3 )) 1.600 0.300 0.600 peak 4771 spectrum 1 weight 0.10000E+01 volume 0.31782E-01 ppm1 0.826 ppm2 1.497 CV 1 OR { 4771} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 133 and name HG )) OR { 4771} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HB3 )) ASSI { 4796} (( segid " " and resid 131 and name HB3 )) (( segid " " and resid 191 and name HA )) 4.400 2.400 1.600 peak 4796 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 1.530 ppm2 4.863 CV 1 OR { 4796} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 47 and name HA )) ASSI { 4803} (( segid " " and resid 83 and name HA )) ( segid " " and resid 47 and name HE% ) 3.600 1.600 1.600 peak 4803 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 3.524 ppm2 7.113 CV 1 OR { 4803} (( segid " " and resid 83 and name HA )) (( segid " " and resid 85 and name H )) ASSI { 4824} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 83 and name HB3 )) 2.300 0.700 0.700 peak 4824 spectrum 1 weight 0.10000E+01 volume 0.53519E-02 ppm1 0.913 ppm2 1.531 CV 1 OR { 4824} (( segid " " and resid 83 and name HG2 )) (( segid " " and resid 85 and name HB2 )) OR { 4824} (( segid " " and resid 83 and name HG3 )) (( segid " " and resid 83 and name HB3 )) ASSI { 4834} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 82 and name HE )) 4.300 2.300 1.700 peak 4834 spectrum 1 weight 0.10000E+01 volume 0.77181E-03 ppm1 1.529 ppm2 6.694 CV 1 OR { 4834} (( segid " " and resid 83 and name HB3 )) ( segid " " and resid 47 and name HD% ) ASSI { 4835} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 85 and name H )) 3.900 1.900 1.900 peak 4835 spectrum 1 weight 0.10000E+01 volume 0.14793E-02 ppm1 1.533 ppm2 7.103 CV 1 OR { 4835} (( segid " " and resid 83 and name HB3 )) ( segid " " and resid 47 and name HE% ) ASSI { 4840} (( segid " " and resid 83 and name HD3 )) ( segid " " and resid 47 and name HE% ) 3.300 1.300 1.300 peak 4840 spectrum 1 weight 0.10000E+01 volume 0.28808E-02 ppm1 1.453 ppm2 7.116 CV 1 OR { 4840} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 85 and name H )) OR { 4840} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 85 and name H )) ASSI { 4851} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 126 and name H )) 4.200 2.200 1.800 peak 4851 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 2.402 ppm2 7.677 CV 1 OR { 4851} (( segid " " and resid 125 and name HB2 )) (( segid " " and resid 124 and name H )) ASSI { 4874} (( segid " " and resid 92 and name HG3 )) (( segid " " and resid 119 and name HG13)) 3.000 1.100 1.100 peak 4874 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 2.584 ppm2 1.304 CV 1 OR { 4874} (( segid " " and resid 92 and name HG3 )) (( segid " " and resid 98 and name HG2 )) ASSI { 4875} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HG )) 2.700 0.900 0.900 peak 4875 spectrum 1 weight 0.10000E+01 volume 0.34697E-02 ppm1 4.610 ppm2 1.293 CV 1 OR { 4875} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HG3 )) ASSI { 4900} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 111 and name HB2 )) 2.400 0.700 0.700 peak 4900 spectrum 1 weight 0.10000E+01 volume 0.56972E-02 ppm1 1.951 ppm2 1.700 CV 1 OR { 4900} ( segid " " and resid 111 and name HE% ) (( segid " " and resid 180 and name HG )) ASSI { 4918} (( segid " " and resid 87 and name HD3 )) ( segid " " and resid 101 and name HE% ) 2.900 1.100 1.100 peak 4918 spectrum 1 weight 0.10000E+01 volume 0.23188E-02 ppm1 3.515 ppm2 1.749 CV 1 OR { 4918} (( segid " " and resid 87 and name HD3 )) (( segid " " and resid 86 and name HB2 )) OR { 4918} (( segid " " and resid 87 and name HD3 )) (( segid " " and resid 86 and name HB3 )) ASSI { 4922} (( segid " " and resid 91 and name HB2 )) ( segid " " and resid 97 and name HG2%) 3.300 1.400 1.400 peak 4922 spectrum 1 weight 0.10000E+01 volume 0.97830E-03 ppm1 1.375 ppm2 0.696 CV 1 OR { 4922} (( segid " " and resid 91 and name HB2 )) ( segid " " and resid 192 and name HD2%) ASSI { 4940} (( segid " " and resid 194 and name HB3 )) (( segid " " and resid 173 and name HZ3 )) 3.800 1.800 1.800 peak 4940 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 1.718 ppm2 6.714 CV 1 OR { 4940} (( segid " " and resid 82 and name HB3 )) (( segid " " and resid 82 and name HE )) ASSI { 4947} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 102 and name H )) 4.200 2.200 1.800 peak 4947 spectrum 1 weight 0.10000E+01 volume 0.79213E-03 ppm1 1.562 ppm2 8.823 CV 1 OR { 4947} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 19 and name H )) ASSI { 4951} (( segid " " and resid 101 and name HB3 )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 4951 spectrum 1 weight 0.10000E+01 volume 0.11611E-02 ppm1 1.583 ppm2 4.875 CV 1 OR { 4951} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 5 and name HA )) ASSI { 4964} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 127 and name H )) 4.300 2.300 1.700 peak 4964 spectrum 1 weight 0.10000E+01 volume 0.63978E-03 ppm1 1.839 ppm2 7.843 CV 1 OR { 4964} (( segid " " and resid 126 and name HB2 )) (( segid " " and resid 199 and name H )) ASSI { 4991} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 106 and name HB3 )) 3.900 1.900 1.900 peak 4991 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 1.456 ppm2 1.937 CV 1 OR { 4991} (( segid " " and resid 106 and name HD2 )) ( segid " " and resid 111 and name HE% ) ASSI { 4992} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 111 and name HG3 )) 4.000 2.000 2.000 peak 4992 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 1.464 ppm2 2.267 CV 1 OR { 4992} (( segid " " and resid 106 and name HD2 )) (( segid " " and resid 103 and name HB2 )) ASSI { 5005} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HE3 )) 2.700 0.900 0.900 peak 5005 spectrum 1 weight 0.10000E+01 volume 0.32294E-02 ppm1 1.545 ppm2 2.750 CV 1 OR { 5005} (( segid " " and resid 106 and name HD3 )) (( segid " " and resid 106 and name HE2 )) OR { 5005} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HE2 )) ASSI { 5025} (( segid " " and resid 131 and name HA )) (( segid " " and resid 192 and name H )) 4.000 2.000 2.000 peak 5025 spectrum 1 weight 0.10000E+01 volume 0.66009E-03 ppm1 4.436 ppm2 9.052 CV 1 OR { 5025} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HE )) ASSI { 5068} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 91 and name HA )) 2.900 1.100 1.100 peak 5068 spectrum 1 weight 0.10000E+01 volume 0.24643E-02 ppm1 1.909 ppm2 4.865 CV 1 OR { 5068} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 97 and name HA )) ASSI { 5110} (( segid " " and resid 33 and name HG2 )) ( segid " " and resid 40 and name HD2%) 4.100 2.100 1.900 peak 5110 spectrum 1 weight 0.10000E+01 volume 0.73457E-03 ppm1 1.151 ppm2 0.731 CV 1 OR { 5110} (( segid " " and resid 33 and name HG3 )) ( segid " " and resid 32 and name HG2%) OR { 5110} (( segid " " and resid 33 and name HG2 )) ( segid " " and resid 32 and name HG2%) ASSI { 5120} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HD3 )) 3.100 1.200 1.200 peak 5120 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 2.326 ppm2 3.787 CV 1 OR { 5120} (( segid " " and resid 43 and name HB3 )) (( segid " " and resid 44 and name HD2 )) ASSI { 5132} (( segid " " and resid 89 and name HB3 )) ( segid " " and resid 190 and name HG2%) 3.400 1.400 1.400 peak 5132 spectrum 1 weight 0.10000E+01 volume 0.19194E-02 ppm1 1.824 ppm2 0.916 CV 1 OR { 5132} (( segid " " and resid 89 and name HB2 )) ( segid " " and resid 190 and name HG2%) OR { 5132} (( segid " " and resid 97 and name HB )) ( segid " " and resid 190 and name HG2%) ASSI { 5134} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 90 and name H )) 4.400 2.400 1.600 peak 5134 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 1.270 ppm2 8.812 CV 1 OR { 5134} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 90 and name H )) ASSI { 5137} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 98 and name HB3 )) 2.200 0.600 0.600 peak 5137 spectrum 1 weight 0.10000E+01 volume 0.69023E-02 ppm1 1.279 ppm2 1.515 CV 1 OR { 5137} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HB2 )) OR { 5137} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HB2 )) OR { 5137} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 89 and name HD3 )) ASSI { 5138} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HB2 )) 2.300 0.700 0.700 peak 5138 spectrum 1 weight 0.10000E+01 volume 0.80463E-02 ppm1 1.319 ppm2 1.491 CV 1 OR { 5138} (( segid " " and resid 89 and name HG3 )) (( segid " " and resid 89 and name HD2 )) OR { 5138} (( segid " " and resid 89 and name HG3 )) (( segid " " and resid 89 and name HD3 )) OR { 5138} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 98 and name HB3 )) ASSI { 5159} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 126 and name H )) 3.300 1.300 1.300 peak 5159 spectrum 1 weight 0.10000E+01 volume 0.14116E-02 ppm1 2.127 ppm2 7.676 CV 1 OR { 5159} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 123 and name HD21)) ASSI { 5178} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 10 and name HG2%) 3.900 1.900 1.900 peak 5178 spectrum 1 weight 0.10000E+01 volume 0.80228E-03 ppm1 1.797 ppm2 0.905 CV 1 OR { 5178} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 13 and name HG1%) ASSI { 5190} (( segid " " and resid 113 and name HG3 )) (( segid " " and resid 124 and name HD2 )) 3.600 1.600 1.600 peak 5190 spectrum 1 weight 0.10000E+01 volume 0.84288E-03 ppm1 2.306 ppm2 7.079 CV 1 OR { 5190} (( segid " " and resid 43 and name HB3 )) ( segid " " and resid 47 and name HE% ) ASSI { 5195} (( segid " " and resid 126 and name HG3 )) ( segid " " and resid 199 and name HE% ) 4.600 2.700 1.400 peak 5195 spectrum 1 weight 0.10000E+01 volume 0.57887E-03 ppm1 2.126 ppm2 6.627 CV 1 OR { 5195} (( segid " " and resid 126 and name HG3 )) (( segid " " and resid 123 and name HD22)) ASSI { 5196} (( segid " " and resid 126 and name HG2 )) ( segid " " and resid 199 and name HE% ) 4.200 2.200 1.800 peak 5196 spectrum 1 weight 0.10000E+01 volume 0.59915E-03 ppm1 1.785 ppm2 6.606 CV 1 OR { 5196} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 123 and name HD22)) ASSI { 5198} (( segid " " and resid 194 and name HG3 )) (( segid " " and resid 194 and name HE )) 3.600 1.700 1.700 peak 5198 spectrum 1 weight 0.10000E+01 volume 0.71426E-03 ppm1 1.432 ppm2 7.331 CV 1 OR { 5198} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HE )) OR { 5198} (( segid " " and resid 194 and name HG2 )) (( segid " " and resid 194 and name HE )) ASSI { 5233} (( segid " " and resid 106 and name HG3 )) (( segid " " and resid 106 and name HG2 )) 2.000 0.500 0.500 peak 5233 spectrum 1 weight 0.10000E+01 volume 0.46208E-02 ppm1 1.143 ppm2 1.327 CV 1 OR { 5233} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HB3 )) ASSI { 5234} (( segid " " and resid 89 and name HG3 )) (( segid " " and resid 89 and name HB3 )) 2.600 0.900 0.900 peak 5234 spectrum 1 weight 0.10000E+01 volume 0.45293E-02 ppm1 1.320 ppm2 1.821 CV 1 OR { 5234} (( segid " " and resid 89 and name HG3 )) (( segid " " and resid 89 and name HB2 )) OR { 5234} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 106 and name HB2 )) ASSI { 5235} (( segid " " and resid 106 and name HG2 )) (( segid " " and resid 106 and name HB3 )) 2.700 0.900 0.900 peak 5235 spectrum 1 weight 0.10000E+01 volume 0.23933E-02 ppm1 1.320 ppm2 1.948 CV 1 OR { 5235} (( segid " " and resid 98 and name HG3 )) ( segid " " and resid 92 and name HE% ) ASSI { 5244} (( segid " " and resid 63 and name HG3 )) ( segid " " and resid 25 and name HG2%) 3.800 1.800 1.800 peak 5244 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 2.284 ppm2 0.999 CV 1 OR { 5244} (( segid " " and resid 63 and name HG3 )) (( segid " " and resid 66 and name HG3 )) ASSI { 5251} (( segid " " and resid 131 and name HD2 )) (( segid " " and resid 185 and name HB )) 4.000 2.000 2.000 peak 5251 spectrum 1 weight 0.10000E+01 volume 0.11205E-02 ppm1 2.961 ppm2 1.655 CV 1 OR { 5251} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 68 and name HG )) ASSI { 5257} (( segid " " and resid 194 and name HD3 )) (( segid " " and resid 173 and name HH2 )) 4.100 2.100 1.900 peak 5257 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 2.976 ppm2 6.841 CV 1 OR { 5257} (( segid " " and resid 91 and name HD2 )) (( segid " " and resid 91 and name HH22)) ASSI { 5279} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 4 and name HD2%) 3.600 1.600 1.600 peak 5279 spectrum 1 weight 0.10000E+01 volume 0.15301E-02 ppm1 1.728 ppm2 0.705 CV 1 OR { 5279} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 102 and name HG1%) OR { 5279} (( segid " " and resid 74 and name HB2 )) ( segid " " and resid 4 and name HD1%) ASSI { 5283} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name H )) 3.400 1.500 1.500 peak 5283 spectrum 1 weight 0.10000E+01 volume 0.69733E-03 ppm1 1.435 ppm2 7.135 CV 1 OR { 5283} (( segid " " and resid 8 and name HG12)) ( segid " " and resid 19 and name HE% ) ASSI { 5284} (( segid " " and resid 80 and name HA )) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 5284 spectrum 1 weight 0.10000E+01 volume 0.79890E-03 ppm1 5.164 ppm2 4.903 CV 1 OR { 5284} (( segid " " and resid 80 and name HA )) (( segid " " and resid 79 and name HA )) ASSI { 5286} (( segid " " and resid 132 and name HA )) ( segid " " and resid 133 and name HD2%) 4.000 2.000 2.000 peak 5286 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 4.120 ppm2 0.795 CV 1 OR { 5286} (( segid " " and resid 135 and name HA )) ( segid " " and resid 133 and name HD1%) OR { 5286} (( segid " " and resid 132 and name HA )) ( segid " " and resid 133 and name HD1%) ASSI { 5294} (( segid " " and resid 131 and name HD3 )) (( segid " " and resid 131 and name HB2 )) 2.600 0.800 0.800 peak 5294 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 3.087 ppm2 2.000 CV 1 OR { 5294} (( segid " " and resid 178 and name HD3 )) (( segid " " and resid 178 and name HB3 )) ASSI { 5295} (( segid " " and resid 131 and name HD3 )) (( segid " " and resid 131 and name HB2 )) 2.600 0.900 0.900 peak 5295 spectrum 1 weight 0.10000E+01 volume 0.23493E-02 ppm1 3.045 ppm2 1.998 CV 1 OR { 5295} (( segid " " and resid 178 and name HD2 )) (( segid " " and resid 178 and name HB3 )) ASSI { 5336} (( segid " " and resid 185 and name HB )) (( segid " " and resid 185 and name HA )) 3.200 1.300 1.300 peak 5336 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 1.687 ppm2 3.845 CV 1 OR { 5336} (( segid " " and resid 186 and name HB3 )) (( segid " " and resid 187 and name HA )) ASSI { 5355} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HG2 )) 3.900 1.900 1.900 peak 5355 spectrum 1 weight 0.10000E+01 volume 0.94445E-03 ppm1 1.974 ppm2 2.723 CV 1 OR { 5355} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 110 and name HB2 )) ASSI { 5356} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.100 1.200 1.200 peak 5356 spectrum 1 weight 0.10000E+01 volume 0.24542E-02 ppm1 3.873 ppm2 1.967 CV 1 OR { 5356} (( segid " " and resid 31 and name HA )) (( segid " " and resid 34 and name HB2 )) ASSI { 5371} (( segid " " and resid 103 and name HB3 )) (( segid " " and resid 85 and name HE21)) 4.200 2.200 1.800 peak 5371 spectrum 1 weight 0.10000E+01 volume 0.59238E-03 ppm1 2.650 ppm2 6.474 CV 1 OR { 5371} (( segid " " and resid 46 and name HB3 )) (( segid " " and resid 85 and name HE21)) ASSI { 5379} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 15 and name H )) 3.700 1.700 1.700 peak 5379 spectrum 1 weight 0.10000E+01 volume 0.26944E-02 ppm1 0.821 ppm2 8.892 CV 1 OR { 5379} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 10 and name H )) ASSI { 5382} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 126 and name H )) 3.000 1.100 1.100 peak 5382 spectrum 1 weight 0.10000E+01 volume 0.15775E-02 ppm1 1.809 ppm2 7.680 CV 1 OR { 5382} (( segid " " and resid 126 and name HG2 )) (( segid " " and resid 123 and name HD21)) ASSI { 5394} (( segid " " and resid 183 and name HB2 )) (( segid " " and resid 184 and name H )) 3.700 1.700 1.700 peak 5394 spectrum 1 weight 0.10000E+01 volume 0.67025E-03 ppm1 2.125 ppm2 7.680 CV 1 OR { 5394} (( segid " " and resid 126 and name HB3 )) (( segid " " and resid 126 and name H )) ASSI { 5411} (( segid " " and resid 134 and name HG3 )) (( segid " " and resid 134 and name H )) 2.300 0.700 0.700 peak 5411 spectrum 1 weight 0.10000E+01 volume 0.24643E-02 ppm1 2.537 ppm2 8.151 CV 1 OR { 5411} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 1 and name H )) ASSI { 5424} (( segid " " and resid 174 and name HA )) (( segid " " and resid 175 and name HA )) 4.400 2.400 1.600 peak 5424 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 4.267 ppm2 4.652 CV 1 OR { 5424} (( segid " " and resid 174 and name HA )) (( segid " " and resid 173 and name HA )) ASSI { 5441} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 101 and name HB2 )) 2.400 2.400 3.600 peak 5441 spectrum 1 weight 0.10000E+01 volume 0.15094E-01 ppm1 0.636 ppm2 1.905 CV 1 OR { 5441} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 118 and name HB3 )) ASSI { 5475} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 53 and name HB2 )) 4.500 2.500 1.500 peak 5475 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 3.711 ppm2 2.138 CV 1 OR { 5475} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 53 and name HB2 )) OR { 5475} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 50 and name HB3 )) OR { 5475} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 50 and name HB3 )) OR { 5475} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 79 and name HG3 )) OR { 5475} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 79 and name HG2 )) OR { 5475} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 79 and name HG3 )) ASSI { 5476} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 174 and name HB2 )) 4.300 2.300 1.700 peak 5476 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 3.712 ppm2 1.282 CV 1 OR { 5476} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 106 and name HG2 )) OR { 5476} (( segid " " and resid 128 and name HB3 )) (( segid " " and resid 174 and name HB2 )) OR { 5476} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 51 and name HG )) OR { 5476} (( segid " " and resid 52 and name HB3 )) (( segid " " and resid 51 and name HG )) OR { 5476} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 60 and name HG13)) ASSI { 5479} (( segid " " and resid 194 and name HG2 )) ( segid " " and resid 93 and name HD1%) 4.000 2.000 2.000 peak 5479 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 1.434 ppm2 0.953 CV 1 OR { 5479} (( segid " " and resid 8 and name HG12)) (( segid " " and resid 32 and name HG13)) OR { 5479} (( segid " " and resid 8 and name HG12)) ( segid " " and resid 16 and name HG2%) OR { 5479} (( segid " " and resid 8 and name HG12)) (( segid " " and resid 32 and name HG12)) ASSI { 5480} (( segid " " and resid 79 and name HG3 )) ( segid " " and resid 51 and name HD2%) 2.500 0.800 0.800 peak 5480 spectrum 1 weight 0.10000E+01 volume 0.79381E-02 ppm1 2.146 ppm2 0.726 CV 1 OR { 5480} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 51 and name HD2%) OR { 5480} (( segid " " and resid 79 and name HG2 )) ( segid " " and resid 8 and name HD1%) OR { 5480} (( segid " " and resid 79 and name HG3 )) ( segid " " and resid 8 and name HD1%) ASSI { 5481} (( segid " " and resid 186 and name HG3 )) ( segid " " and resid 133 and name HD1%) 4.000 2.000 2.000 peak 5481 spectrum 1 weight 0.10000E+01 volume 0.15233E-02 ppm1 2.397 ppm2 0.757 CV 1 OR { 5481} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 25 and name HG1%) OR { 5481} (( segid " " and resid 63 and name HG2 )) ( segid " " and resid 49 and name HD1%) ASSI { 5482} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 51 and name HG )) 3.400 1.400 1.400 peak 5482 spectrum 1 weight 0.10000E+01 volume 0.17196E-02 ppm1 2.151 ppm2 1.310 CV 1 OR { 5482} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 49 and name HB3 )) OR { 5482} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 6 and name HB2 )) ASSI { 5484} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 189 and name H )) 4.000 2.000 2.000 peak 5484 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 0.755 ppm2 6.937 CV 1 OR { 5484} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 19 and name HZ )) OR { 5484} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 19 and name HZ )) ASSI { 5485} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 8 and name HA )) 3.800 1.800 1.800 peak 5485 spectrum 1 weight 0.10000E+01 volume 0.20107E-02 ppm1 0.744 ppm2 4.866 CV 1 OR { 5485} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 101 and name HA )) OR { 5485} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 67 and name HA )) ASSI { 5487} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 63 and name HG2 )) 4.000 2.000 2.000 peak 5487 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 0.756 ppm2 2.387 CV 1 OR { 5487} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 84 and name HE2 )) OR { 5487} ( segid " " and resid 185 and name HG2%) (( segid " " and resid 186 and name HG3 )) ASSI { 5488} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 49 and name HB3 )) 3.500 1.600 1.600 peak 5488 spectrum 1 weight 0.10000E+01 volume 0.42719E-02 ppm1 0.749 ppm2 1.259 CV 1 OR { 5488} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HG2 )) OR { 5488} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 100 and name HG12)) OR { 5488} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HG3 )) ASSI { 5490} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 98 and name HG2 )) 3.500 1.500 1.500 peak 5490 spectrum 1 weight 0.10000E+01 volume 0.20514E-02 ppm1 1.075 ppm2 1.281 CV 1 OR { 5490} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 98 and name HG3 )) OR { 5490} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 119 and name HG13)) ASSI { 5494} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 129 and name HB3 )) 2.800 1.000 1.000 peak 5494 spectrum 1 weight 0.10000E+01 volume 0.69800E-02 ppm1 0.488 ppm2 1.511 CV 1 OR { 5494} ( segid " " and resid 108 and name HG1%) (( segid " " and resid 112 and name HG )) OR { 5494} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 192 and name HB3 )) OR { 5494} ( segid " " and resid 130 and name HG2%) (( segid " " and resid 194 and name HB2 )) ASSI { 5495} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 108 and name HG2%) 3.700 1.800 1.800 peak 5495 spectrum 1 weight 0.10000E+01 volume 0.30805E-02 ppm1 0.637 ppm2 0.930 CV 1 OR { 5495} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 196 and name HB2 )) OR { 5495} ( segid " " and resid 112 and name HD2%) ( segid " " and resid 108 and name HG2%) OR { 5495} ( segid " " and resid 112 and name HD2%) ( segid " " and resid 93 and name HD1%) ASSI { 5498} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 90 and name HB )) 3.300 1.300 1.300 peak 5498 spectrum 1 weight 0.10000E+01 volume 0.73152E-02 ppm1 0.642 ppm2 1.631 CV 1 OR { 5498} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 112 and name HB2 )) OR { 5498} ( segid " " and resid 115 and name HD1%) (( segid " " and resid 191 and name HB2 )) ASSI { 5499} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 113 and name H )) 4.000 2.000 2.000 peak 5499 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 0.683 ppm2 7.652 CV 1 OR { 5499} ( segid " " and resid 112 and name HD2%) (( segid " " and resid 126 and name H )) OR { 5499} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 173 and name H )) ASSI { 5500} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 3 and name H )) 4.000 2.000 2.000 peak 5500 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 0.746 ppm2 7.830 CV 1 OR { 5500} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 72 and name H )) OR { 5500} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 127 and name H )) OR { 5500} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 124 and name HE1 )) ASSI { 5502} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 75 and name H )) 3.700 1.700 1.700 peak 5502 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 0.746 ppm2 8.352 CV 1 OR { 5502} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 116 and name H )) OR { 5502} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 68 and name H )) ASSI { 5503} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 73 and name HA )) 4.000 2.000 2.000 peak 5503 spectrum 1 weight 0.10000E+01 volume 0.18347E-02 ppm1 0.732 ppm2 4.223 CV 1 OR { 5503} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 28 and name HA )) OR { 5503} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 63 and name HA )) OR { 5503} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 114 and name HB )) OR { 5503} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 73 and name HA )) ASSI { 5504} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 124 and name HB3 )) 4.300 2.300 1.700 peak 5504 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 0.747 ppm2 3.050 CV 1 OR { 5504} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 176 and name HB2 )) ASSI { 5506} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 66 and name HE2 )) 4.500 2.500 1.500 peak 5506 spectrum 1 weight 0.10000E+01 volume 0.20446E-02 ppm1 0.747 ppm2 2.293 CV 1 OR { 5506} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 66 and name HE3 )) OR { 5506} ( segid " " and resid 112 and name HD1%) (( segid " " and resid 108 and name HB )) ASSI { 5509} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 118 and name HB2 )) 3.500 1.600 1.600 peak 5509 spectrum 1 weight 0.10000E+01 volume 0.48779E-02 ppm1 0.686 ppm2 1.908 CV 1 OR { 5509} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 118 and name HB3 )) OR { 5509} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 101 and name HB2 )) OR { 5509} ( segid " " and resid 100 and name HG2%) ( segid " " and resid 92 and name HE% ) ASSI { 5510} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 111 and name HG2 )) 4.400 2.400 1.600 peak 5510 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 0.638 ppm2 2.580 CV 1 OR { 5510} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 103 and name HB3 )) ASSI { 5511} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 111 and name HG3 )) 4.100 2.100 1.900 peak 5511 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 0.636 ppm2 2.244 CV 1 OR { 5511} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 111 and name HG3 )) ASSI { 5512} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 114 and name HA )) 4.400 2.400 1.600 peak 5512 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 0.686 ppm2 3.833 CV 1 OR { 5512} ( segid " " and resid 100 and name HG2%) (( segid " " and resid 112 and name HA )) ASSI { 5514} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 102 and name HA )) 3.000 1.100 1.100 peak 5514 spectrum 1 weight 0.10000E+01 volume 0.37574E-02 ppm1 0.635 ppm2 4.621 CV 1 OR { 5514} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 89 and name HA )) OR { 5514} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 88 and name HA )) ASSI { 5516} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 114 and name H )) 4.600 2.600 1.400 peak 5516 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 0.637 ppm2 7.460 CV 1 OR { 5516} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 119 and name H )) ASSI { 5517} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 87 and name HG2 )) 2.300 2.300 3.700 peak 5517 spectrum 1 weight 0.10000E+01 volume 0.26642E-02 ppm1 0.905 ppm2 2.086 CV 1 OR { 5517} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 85 and name HG3 )) ASSI { 5518} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 98 and name HB2 )) 3.700 1.700 1.700 peak 5518 spectrum 1 weight 0.10000E+01 volume 0.42076E-02 ppm1 0.821 ppm2 1.651 CV 1 OR { 5518} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 91 and name HG2 )) ASSI { 5519} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 194 and name HD2 )) 3.900 1.900 1.900 peak 5519 spectrum 1 weight 0.10000E+01 volume 0.21732E-02 ppm1 0.961 ppm2 2.994 CV 1 OR { 5519} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 116 and name HB2 )) OR { 5519} ( segid " " and resid 93 and name HD2%) (( segid " " and resid 194 and name HD3 )) ASSI { 5522} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 181 and name HD3 )) 4.200 2.200 1.800 peak 5522 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 0.790 ppm2 3.166 CV 1 OR { 5522} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HB3 )) ASSI { 5523} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 21 and name HB2 )) 3.700 1.700 1.700 peak 5523 spectrum 1 weight 0.10000E+01 volume 0.20175E-02 ppm1 0.739 ppm2 2.054 CV 1 OR { 5523} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 72 and name HB2 )) OR { 5523} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 18 and name HG2 )) OR { 5523} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 2 and name HB )) OR { 5523} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 63 and name HB3 )) OR { 5523} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 80 and name HG2 )) OR { 5523} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 66 and name HB2 )) ASSI { 5525} ( segid " " and resid 40 and name HD2%) ( segid " " and resid 39 and name HB% ) 3.800 1.800 1.800 peak 5525 spectrum 1 weight 0.10000E+01 volume 0.48880E-02 ppm1 0.734 ppm2 1.121 CV 1 OR { 5525} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 33 and name HG3 )) ASSI { 5526} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 6 and name HB2 )) 3.500 1.600 1.600 peak 5526 spectrum 1 weight 0.10000E+01 volume 0.28671E-02 ppm1 0.835 ppm2 1.347 CV 1 OR { 5526} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 41 and name HB% ) OR { 5526} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 73 and name HB3 )) ASSI { 5527} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 20 and name HB3 )) 4.300 2.300 1.700 peak 5527 spectrum 1 weight 0.10000E+01 volume 0.22782E-02 ppm1 1.107 ppm2 2.130 CV 1 OR { 5527} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 21 and name HG2 )) OR { 5527} ( segid " " and resid 3 and name HB% ) (( segid " " and resid 21 and name HB2 )) ASSI { 5528} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 81 and name HB3 )) 2.500 2.500 3.500 peak 5528 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 0.662 ppm2 3.129 CV 1 OR { 5528} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 35 and name HD3 )) ASSI { 5529} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 31 and name HB2 )) 3.900 1.900 1.900 peak 5529 spectrum 1 weight 0.10000E+01 volume 0.28603E-02 ppm1 0.111 ppm2 1.957 CV 1 OR { 5529} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 38 and name HB3 )) OR { 5529} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 80 and name HB2 )) OR { 5529} ( segid " " and resid 32 and name HD1%) (( segid " " and resid 34 and name HB2 )) ASSI { 5530} ( segid " " and resid 32 and name HG2%) ( segid " " and resid 79 and name HE% ) 3.500 1.500 1.500 peak 5530 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 0.738 ppm2 1.474 CV 1 OR { 5530} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 36 and name HG13)) OR { 5530} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 17 and name HB3 )) OR { 5530} ( segid " " and resid 32 and name HG2%) (( segid " " and resid 17 and name HB2 )) ASSI { 5533} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 32 and name HG13)) 3.100 1.200 1.200 peak 5533 spectrum 1 weight 0.10000E+01 volume 0.59915E-02 ppm1 1.683 ppm2 0.995 CV 1 OR { 5533} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 28 and name HB% ) OR { 5533} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 32 and name HG12)) ASSI { 5534} ( segid " " and resid 17 and name HE% ) (( segid " " and resid 36 and name HG12)) 3.800 1.800 1.800 peak 5534 spectrum 1 weight 0.10000E+01 volume 0.44210E-02 ppm1 1.683 ppm2 0.848 CV 1 OR { 5534} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 36 and name HG2%) OR { 5534} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 49 and name HD2%) ASSI { 5535} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 32 and name HG2%) 3.100 1.200 1.200 peak 5535 spectrum 1 weight 0.10000E+01 volume 0.12718E-01 ppm1 1.684 ppm2 0.728 CV 1 OR { 5535} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 8 and name HD1%) OR { 5535} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 8 and name HG2%) ASSI { 5537} ( segid " " and resid 14 and name HG1%) (( segid " " and resid 16 and name HB )) 3.800 1.800 1.800 peak 5537 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 0.826 ppm2 3.919 CV 1 OR { 5537} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 38 and name HA )) ASSI { 5539} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 8 and name HG13)) 3.500 1.500 1.500 peak 5539 spectrum 1 weight 0.10000E+01 volume 0.40081E-02 ppm1 0.687 ppm2 1.686 CV 1 OR { 5539} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 15 and name HB3 )) OR { 5539} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 15 and name HD3 )) OR { 5539} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 40 and name HB2 )) OR { 5539} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 33 and name HB3 )) ASSI { 5540} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 15 and name HB2 )) 3.200 1.300 1.300 peak 5540 spectrum 1 weight 0.10000E+01 volume 0.32126E-02 ppm1 0.688 ppm2 1.480 CV 1 OR { 5540} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 36 and name HG13)) OR { 5540} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 17 and name HB2 )) OR { 5540} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 79 and name HE% ) ASSI { 5541} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 38 and name HG2 )) 3.700 1.800 1.800 peak 5541 spectrum 1 weight 0.10000E+01 volume 0.27588E-02 ppm1 0.872 ppm2 2.184 CV 1 OR { 5541} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 13 and name HB )) ASSI { 5542} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 18 and name HG3 )) 5.500 3.700 0.500 peak 5542 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 0.705 ppm2 2.057 CV 1 OR { 5542} ( segid " " and resid 6 and name HD1%) ( segid " " and resid 31 and name HE% ) ASSI { 5543} ( segid " " and resid 6 and name HD1%) ( segid " " and resid 28 and name HB% ) 4.400 2.400 1.600 peak 5543 spectrum 1 weight 0.10000E+01 volume 0.16655E-02 ppm1 0.709 ppm2 0.993 CV 1 OR { 5543} ( segid " " and resid 6 and name HD1%) ( segid " " and resid 78 and name HG2%) ASSI { 5544} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 6 and name HD1%) 4.900 3.000 1.100 peak 5544 spectrum 1 weight 0.10000E+01 volume 0.86997E-03 ppm1 3.597 ppm2 0.706 CV 1 OR { 5544} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 4 and name HD1%) OR { 5544} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 4 and name HD2%) ASSI { 5545} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 4 and name HD2%) 4.800 2.900 1.200 peak 5545 spectrum 1 weight 0.10000E+01 volume 0.89028E-03 ppm1 3.549 ppm2 0.708 CV 1 OR { 5545} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 4 and name HD1%) OR { 5545} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 6 and name HD1%) ASSI { 5548} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 133 and name H )) 2.500 2.500 3.500 peak 5548 spectrum 1 weight 0.10000E+01 volume 0.16756E-02 ppm1 0.718 ppm2 8.208 CV 1 OR { 5548} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 171 and name H )) OR { 5548} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 198 and name H )) ASSI { 5549} ( segid " " and resid 193 and name HD2%) (( segid " " and resid 193 and name H )) 3.300 1.300 1.300 peak 5549 spectrum 1 weight 0.10000E+01 volume 0.61474E-02 ppm1 0.719 ppm2 7.890 CV 1 OR { 5549} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 193 and name H )) OR { 5549} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 3 and name H )) ASSI { 5551} ( segid " " and resid 192 and name HD1%) (( segid " " and resid 190 and name HB )) 3.700 1.700 1.700 peak 5551 spectrum 1 weight 0.10000E+01 volume 0.20040E-02 ppm1 0.714 ppm2 3.883 CV 1 OR { 5551} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 21 and name HD2 )) ASSI { 5553} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 90 and name HG13)) 2.400 2.400 3.600 peak 5553 spectrum 1 weight 0.10000E+01 volume 0.26133E-02 ppm1 0.572 ppm2 1.217 CV 1 OR { 5553} ( segid " " and resid 193 and name HD1%) (( segid " " and resid 195 and name HB2 )) ASSI { 5555} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 8 and name H )) 4.000 2.000 2.000 peak 5555 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 2.798 ppm2 9.046 CV 1 OR { 5555} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 8 and name H )) OR { 5555} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 79 and name H )) OR { 5555} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 79 and name H )) ASSI { 5556} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 9 and name HA )) 4.600 2.600 1.400 peak 5556 spectrum 1 weight 0.10000E+01 volume 0.13879E-02 ppm1 2.800 ppm2 5.319 CV 1 OR { 5556} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 78 and name HA )) OR { 5556} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 78 and name HA )) OR { 5556} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 9 and name HA )) ASSI { 5557} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 16 and name HA )) 3.500 1.500 1.500 peak 5557 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 2.798 ppm2 4.939 CV 1 OR { 5557} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 16 and name HA )) OR { 5557} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 14 and name HA )) OR { 5557} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 14 and name HA )) OR { 5557} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 6 and name HA )) OR { 5557} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 6 and name HA )) ASSI { 5558} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 7 and name HA )) 3.300 1.300 1.300 peak 5558 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 2.808 ppm2 4.526 CV 1 OR { 5558} (( segid " " and resid 89 and name HE2 )) (( segid " " and resid 188 and name HA )) OR { 5558} (( segid " " and resid 89 and name HE3 )) (( segid " " and resid 188 and name HA )) OR { 5558} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 7 and name HA )) ASSI { 5559} (( segid " " and resid 106 and name HE3 )) (( segid " " and resid 114 and name HB )) 3.300 1.400 1.400 peak 5559 spectrum 1 weight 0.10000E+01 volume 0.27115E-02 ppm1 2.801 ppm2 4.252 CV 1 OR { 5559} (( segid " " and resid 106 and name HE3 )) (( segid " " and resid 104 and name HA )) OR { 5559} (( segid " " and resid 83 and name HE2 )) (( segid " " and resid 100 and name HA )) OR { 5559} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 13 and name HA )) OR { 5559} (( segid " " and resid 83 and name HE3 )) (( segid " " and resid 100 and name HA )) OR { 5559} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 176 and name HA )) ASSI { 5560} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 193 and name HB2 )) 3.600 1.600 1.600 peak 5560 spectrum 1 weight 0.10000E+01 volume 0.30805E-02 ppm1 2.799 ppm2 1.003 CV 1 OR { 5560} (( segid " " and resid 7 and name HE2 )) ( segid " " and resid 78 and name HG2%) OR { 5560} (( segid " " and resid 7 and name HE3 )) ( segid " " and resid 78 and name HG2%) OR { 5560} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 193 and name HB2 )) OR { 5560} (( segid " " and resid 127 and name HB3 )) ( segid " " and resid 93 and name HD2%) ASSI { 5561} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 28 and name HB% ) 2.500 0.800 0.800 peak 5561 spectrum 1 weight 0.10000E+01 volume 0.67906E-02 ppm1 1.471 ppm2 0.997 CV 1 OR { 5561} ( segid " " and resid 79 and name HE% ) ( segid " " and resid 78 and name HG2%) ASSI { 5562} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 8 and name HB )) 2.500 2.500 3.500 peak 5562 spectrum 1 weight 0.10000E+01 volume 0.38794E-02 ppm1 1.470 ppm2 2.055 CV 1 OR { 5562} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 80 and name HG2 )) ASSI { 5563} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 80 and name H )) 4.000 2.000 2.000 peak 5563 spectrum 1 weight 0.10000E+01 volume 0.20344E-02 ppm1 1.473 ppm2 9.147 CV 1 OR { 5563} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 50 and name H )) ASSI { 5565} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 64 and name HA )) 3.400 1.400 1.400 peak 5565 spectrum 1 weight 0.10000E+01 volume 0.41197E-02 ppm1 2.029 ppm2 3.911 CV 1 OR { 5565} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 68 and name HA )) OR { 5565} ( segid " " and resid 24 and name HE% ) (( segid " " and resid 70 and name HA )) ASSI { 5567} ( segid " " and resid 73 and name HD1%) ( segid " " and resid 19 and name HE% ) 4.100 2.100 1.900 peak 5567 spectrum 1 weight 0.10000E+01 volume 0.12660E-02 ppm1 0.794 ppm2 7.146 CV 1 OR { 5567} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 183 and name H )) ASSI { 5568} ( segid " " and resid 191 and name HD2%) (( segid " " and resid 189 and name H )) 3.300 1.300 1.300 peak 5568 spectrum 1 weight 0.10000E+01 volume 0.20446E-02 ppm1 0.791 ppm2 6.933 CV 1 OR { 5568} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 189 and name H )) ASSI { 5569} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 183 and name HE21)) 3.600 3.600 2.400 peak 5569 spectrum 1 weight 0.10000E+01 volume 0.19295E-02 ppm1 0.796 ppm2 6.489 CV 1 OR { 5569} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 183 and name HE21)) OR { 5569} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 85 and name HE21)) ASSI { 5570} ( segid " " and resid 133 and name HD1%) (( segid " " and resid 185 and name HA )) 3.100 1.200 1.200 peak 5570 spectrum 1 weight 0.10000E+01 volume 0.16892E-02 ppm1 0.794 ppm2 3.840 CV 1 OR { 5570} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 187 and name HA )) OR { 5570} ( segid " " and resid 88 and name HD2%) (( segid " " and resid 112 and name HA )) ASSI { 5571} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 59 and name H )) 4.100 2.100 1.900 peak 5571 spectrum 1 weight 0.10000E+01 volume 0.12728E-02 ppm1 1.629 ppm2 7.336 CV 1 OR { 5571} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 59 and name H )) OR { 5571} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 185 and name H )) OR { 5571} (( segid " " and resid 57 and name HD3 )) (( segid " " and resid 185 and name H )) ASSI { 5573} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 55 and name HB3 )) 4.100 2.100 1.900 peak 5573 spectrum 1 weight 0.10000E+01 volume 0.13236E-02 ppm1 1.581 ppm2 2.434 CV 1 OR { 5573} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 55 and name HB3 )) OR { 5573} (( segid " " and resid 98 and name HD3 )) (( segid " " and resid 92 and name HG2 )) ASSI { 5576} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 80 and name HB2 )) 4.200 2.300 1.800 peak 5576 spectrum 1 weight 0.10000E+01 volume 0.18043E-02 ppm1 0.718 ppm2 1.971 CV 1 OR { 5576} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 80 and name HB3 )) OR { 5576} ( segid " " and resid 8 and name HD1%) (( segid " " and resid 31 and name HB2 )) ASSI { 5577} (( segid " " and resid 4 and name HG )) (( segid " " and resid 5 and name H )) 3.800 1.800 1.800 peak 5577 spectrum 1 weight 0.10000E+01 volume 0.14996E-02 ppm1 1.475 ppm2 8.643 CV 1 OR { 5577} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 28 and name H )) OR { 5577} (( segid " " and resid 133 and name HG )) (( segid " " and resid 132 and name H )) ASSI { 5580} (( segid " " and resid 80 and name HG3 )) ( segid " " and resid 8 and name HG2%) 4.200 2.200 1.800 peak 5580 spectrum 1 weight 0.10000E+01 volume 0.92752E-03 ppm1 2.391 ppm2 0.721 CV 1 OR { 5580} (( segid " " and resid 80 and name HG3 )) ( segid " " and resid 8 and name HD1%) OR { 5580} (( segid " " and resid 80 and name HG3 )) ( segid " " and resid 10 and name HD1%) ASSI { 5581} ( segid " " and resid 90 and name HG2%) ( segid " " and resid 93 and name HD1%) 3.700 1.700 1.700 peak 5581 spectrum 1 weight 0.10000E+01 volume 0.31684E-02 ppm1 0.641 ppm2 0.941 CV 1 OR { 5581} ( segid " " and resid 90 and name HG2%) ( segid " " and resid 93 and name HD2%) OR { 5581} ( segid " " and resid 90 and name HG2%) ( segid " " and resid 190 and name HG2%) ASSI { 5582} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 5582 spectrum 1 weight 0.10000E+01 volume 0.15030E-02 ppm1 4.208 ppm2 2.631 CV 1 OR { 5582} (( segid " " and resid 126 and name HA )) (( segid " " and resid 197 and name HB3 )) ASSI { 5583} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 104 and name H )) 4.500 2.500 1.500 peak 5583 spectrum 1 weight 0.10000E+01 volume 0.80905E-03 ppm1 1.892 ppm2 8.363 CV 1 OR { 5583} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 101 and name H )) ASSI { 5587} (( segid " " and resid 193 and name HG )) (( segid " " and resid 130 and name H )) 3.700 1.700 1.700 peak 5587 spectrum 1 weight 0.10000E+01 volume 0.81244E-03 ppm1 1.370 ppm2 8.799 CV 1 OR { 5587} (( segid " " and resid 193 and name HG )) (( segid " " and resid 195 and name H )) ASSI { 5588} ( segid " " and resid 171 and name HD1%) (( segid " " and resid 132 and name HG2 )) 3.100 1.200 1.200 peak 5588 spectrum 1 weight 0.10000E+01 volume 0.63438E-02 ppm1 0.695 ppm2 1.998 CV 1 OR { 5588} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 80 and name HB2 )) OR { 5588} ( segid " " and resid 51 and name HD2%) (( segid " " and resid 80 and name HB3 )) ASSI { 5590} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 49 and name HB3 )) 4.200 2.200 1.800 peak 5590 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 2.139 ppm2 1.291 CV 1 OR { 5590} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 60 and name HG13)) OR { 5590} (( segid " " and resid 82 and name HD3 )) (( segid " " and resid 83 and name HB2 )) OR { 5590} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 83 and name HB2 )) ASSI { 5591} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 32 and name HG2%) 3.800 1.800 1.800 peak 5591 spectrum 1 weight 0.10000E+01 volume 0.44717E-02 ppm1 2.050 ppm2 0.720 CV 1 OR { 5591} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 49 and name HD1%) OR { 5591} ( segid " " and resid 31 and name HE% ) ( segid " " and resid 8 and name HD1%) ASSI { 5594} (( segid " " and resid 138 and name HE3 )) ( segid " " and resid 133 and name HD1%) 2.800 1.000 1.000 peak 5594 spectrum 1 weight 0.10000E+01 volume 0.88216E-02 ppm1 2.907 ppm2 0.823 CV 1 OR { 5594} (( segid " " and resid 138 and name HE2 )) ( segid " " and resid 133 and name HD1%) OR { 5594} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 115 and name HG12)) OR { 5594} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 115 and name HG12)) OR { 5594} (( segid " " and resid 98 and name HE3 )) (( segid " " and resid 115 and name HG13)) OR { 5594} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 115 and name HG13)) ASSI { 5595} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 36 and name HG12)) 3.300 1.300 1.300 peak 5595 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 1.579 ppm2 0.910 CV 1 OR { 5595} (( segid " " and resid 15 and name HD2 )) ( segid " " and resid 13 and name HG1%) OR { 5595} (( segid " " and resid 15 and name HD2 )) ( segid " " and resid 16 and name HG2%) OR { 5595} (( segid " " and resid 98 and name HD2 )) ( segid " " and resid 99 and name HG2%) ASSI { 5596} (( segid " " and resid 15 and name HD2 )) ( segid " " and resid 36 and name HD1%) 3.400 1.400 1.400 peak 5596 spectrum 1 weight 0.10000E+01 volume 0.55178E-02 ppm1 1.581 ppm2 0.652 CV 1 OR { 5596} (( segid " " and resid 98 and name HD3 )) ( segid " " and resid 100 and name HG2%) OR { 5596} (( segid " " and resid 98 and name HD2 )) ( segid " " and resid 100 and name HG2%) OR { 5596} (( segid " " and resid 98 and name HD3 )) ( segid " " and resid 90 and name HG2%) OR { 5596} (( segid " " and resid 98 and name HD3 )) ( segid " " and resid 100 and name HD1%) OR { 5596} (( segid " " and resid 98 and name HD2 )) ( segid " " and resid 90 and name HG2%) OR { 5596} (( segid " " and resid 98 and name HD2 )) ( segid " " and resid 100 and name HD1%) ASSI { 5597} (( segid " " and resid 89 and name HD3 )) (( segid " " and resid 100 and name HA )) 3.800 1.800 1.800 peak 5597 spectrum 1 weight 0.10000E+01 volume 0.82595E-03 ppm1 1.462 ppm2 4.250 CV 1 OR { 5597} (( segid " " and resid 89 and name HD2 )) (( segid " " and resid 100 and name HA )) OR { 5597} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 76 and name HA3 )) OR { 5597} (( segid " " and resid 83 and name HD3 )) (( segid " " and resid 100 and name HA )) OR { 5597} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 100 and name HA )) OR { 5597} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 13 and name HA )) OR { 5597} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 13 and name HA )) OR { 5597} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 104 and name HA )) ASSI { 5598} (( segid " " and resid 17 and name HG3 )) ( segid " " and resid 8 and name HD1%) 3.800 1.800 1.800 peak 5598 spectrum 1 weight 0.10000E+01 volume 0.23865E-02 ppm1 2.072 ppm2 0.724 CV 1 OR { 5598} (( segid " " and resid 17 and name HG3 )) ( segid " " and resid 8 and name HG2%) OR { 5598} (( segid " " and resid 17 and name HG3 )) ( segid " " and resid 32 and name HG2%) ASSI { 5603} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 71 and name HA )) 4.000 2.000 2.000 peak 5603 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 0.831 ppm2 3.969 CV 1 OR { 5603} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 68 and name HA )) ASSI { 5604} ( segid " " and resid 109 and name HG2%) (( segid " " and resid 108 and name H )) 4.300 2.300 1.700 peak 5604 spectrum 1 weight 0.10000E+01 volume 0.18212E-02 ppm1 1.178 ppm2 7.904 CV 1 OR { 5604} ( segid " " and resid 0 and name HG2%) (( segid " " and resid 3 and name H )) ASSI { 5605} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 106 and name HD2 )) 3.000 1.100 1.100 peak 5605 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 0.595 ppm2 1.503 CV 1 OR { 5605} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 178 and name HG3 )) OR { 5605} ( segid " " and resid 180 and name HD2%) (( segid " " and resid 131 and name HB3 )) ASSI { 5607} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 177 and name H )) 3.800 1.900 1.900 peak 5607 spectrum 1 weight 0.10000E+01 volume 0.11171E-02 ppm1 0.683 ppm2 8.791 CV 1 OR { 5607} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 186 and name H )) OR { 5607} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 109 and name H )) ASSI { 5611} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 129 and name HB3 )) 4.200 2.200 1.800 peak 5611 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 0.678 ppm2 1.485 CV 1 OR { 5611} ( segid " " and resid 174 and name HD2%) (( segid " " and resid 131 and name HB3 )) ASSI { 5613} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 194 and name HD3 )) 4.300 2.300 1.700 peak 5613 spectrum 1 weight 0.10000E+01 volume 0.17772E-02 ppm1 0.616 ppm2 2.995 CV 1 OR { 5613} ( segid " " and resid 171 and name HD2%) (( segid " " and resid 173 and name HB2 )) ASSI { 5619} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 134 and name HG3 )) 3.500 1.500 1.500 peak 5619 spectrum 1 weight 0.10000E+01 volume 0.24813E-02 ppm1 2.140 ppm2 2.557 CV 1 OR { 5619} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 134 and name HG3 )) OR { 5619} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 169 and name HB2 )) OR { 5619} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 169 and name HB2 )) ASSI { 5621} (( segid " " and resid 135 and name HG2 )) ( segid " " and resid 185 and name HG1%) 3.600 1.700 1.700 peak 5621 spectrum 1 weight 0.10000E+01 volume 0.29146E-02 ppm1 2.147 ppm2 0.708 CV 1 OR { 5621} (( segid " " and resid 135 and name HG3 )) ( segid " " and resid 185 and name HG1%) OR { 5621} (( segid " " and resid 170 and name HG3 )) ( segid " " and resid 171 and name HD1%) OR { 5621} (( segid " " and resid 170 and name HG2 )) ( segid " " and resid 171 and name HD1%) OR { 5621} (( segid " " and resid 135 and name HG3 )) ( segid " " and resid 185 and name HG2%) ASSI { 5624} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 135 and name HB3 )) 3.600 1.600 1.600 peak 5624 spectrum 1 weight 0.10000E+01 volume 0.23188E-02 ppm1 1.319 ppm2 1.977 CV 1 OR { 5624} (( segid " " and resid 137 and name HG3 )) (( segid " " and resid 136 and name HB2 )) OR { 5624} (( segid " " and resid 137 and name HG2 )) (( segid " " and resid 135 and name HB3 )) ASSI { 5626} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 132 and name HB2 )) 3.400 1.400 1.400 peak 5626 spectrum 1 weight 0.10000E+01 volume 0.32126E-02 ppm1 0.831 ppm2 1.920 CV 1 OR { 5626} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 44 and name HG3 )) OR { 5626} ( segid " " and resid 6 and name HD2%) (( segid " " and resid 68 and name HB2 )) OR { 5626} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 135 and name HB2 )) OR { 5626} ( segid " " and resid 133 and name HD2%) (( segid " " and resid 134 and name HB3 )) ASSI { 5633} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 119 and name HA )) 4.500 2.500 1.500 peak 5633 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 1.913 ppm2 4.308 CV 1 OR { 5633} ( segid " " and resid 92 and name HE% ) (( segid " " and resid 95 and name HA2 )) ASSI { 5636} (( segid " " and resid 98 and name HG3 )) (( segid " " and resid 99 and name H )) 3.600 1.600 1.600 peak 5636 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 1.289 ppm2 8.427 CV 1 OR { 5636} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 99 and name H )) OR { 5636} (( segid " " and resid 89 and name HG2 )) (( segid " " and resid 191 and name H )) ASSI { 5639} ( segid " " and resid 90 and name HD1%) (( segid " " and resid 111 and name HG2 )) 4.100 2.100 1.900 peak 5639 spectrum 1 weight 0.10000E+01 volume 0.13337E-02 ppm1 0.638 ppm2 2.580 CV 1 OR { 5639} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 111 and name HG2 )) ASSI { 5643} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 132 and name HG2 )) 3.900 1.900 1.900 peak 5643 spectrum 1 weight 0.10000E+01 volume 0.11272E-02 ppm1 0.232 ppm2 1.993 CV 1 OR { 5643} ( segid " " and resid 130 and name HG1%) (( segid " " and resid 131 and name HB2 )) ASSI { 5644} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 119 and name HD1%) 4.100 2.100 1.900 peak 5644 spectrum 1 weight 0.10000E+01 volume 0.25895E-02 ppm1 1.643 ppm2 0.638 CV 1 OR { 5644} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 100 and name HG2%) OR { 5644} (( segid " " and resid 98 and name HB2 )) ( segid " " and resid 100 and name HD1%) ASSI { 5646} (( segid " " and resid 30 and name HG3 )) (( segid " " and resid 28 and name H )) 4.500 2.500 1.500 peak 5646 spectrum 1 weight 0.10000E+01 volume 0.79551E-03 ppm1 1.629 ppm2 8.634 CV 1 OR { 5646} (( segid " " and resid 8 and name HG13)) (( segid " " and resid 16 and name H )) OR { 5646} (( segid " " and resid 8 and name HG13)) (( segid " " and resid 7 and name H )) OR { 5646} (( segid " " and resid 8 and name HG13)) (( segid " " and resid 82 and name H )) ASSI { 5647} ( segid " " and resid 190 and name HG2%) ( segid " " and resid 97 and name HG1%) 2.200 2.200 3.800 peak 5647 spectrum 1 weight 0.10000E+01 volume 0.80024E-02 ppm1 0.926 ppm2 0.829 CV 1 OR { 5647} ( segid " " and resid 190 and name HG2%) ( segid " " and resid 133 and name HD2%) ASSI { 5650} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 101 and name HA )) 4.700 2.700 1.300 peak 5650 spectrum 1 weight 0.10000E+01 volume 0.66686E-03 ppm1 2.074 ppm2 4.848 CV 1 OR { 5650} (( segid " " and resid 85 and name HG3 )) (( segid " " and resid 86 and name HA )) ASSI { 5657} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 36 and name HD1%) 3.100 1.200 1.200 peak 5657 spectrum 1 weight 0.10000E+01 volume 0.99962E-02 ppm1 1.683 ppm2 0.672 CV 1 OR { 5657} ( segid " " and resid 17 and name HE% ) ( segid " " and resid 8 and name HD1%) ASSI { 5658} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 122 and name HA )) 3.700 1.700 1.700 peak 5658 spectrum 1 weight 0.10000E+01 volume 0.12627E-02 ppm1 1.473 ppm2 4.231 CV 1 OR { 5658} ( segid " " and resid 117 and name HB% ) (( segid " " and resid 122 and name HB )) OR { 5658} ( segid " " and resid 79 and name HE% ) (( segid " " and resid 40 and name HA )) ASSI { 5660} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 98 and name HB2 )) 3.900 1.900 1.900 peak 5660 spectrum 1 weight 0.10000E+01 volume 0.17873E-02 ppm1 1.071 ppm2 1.639 CV 1 OR { 5660} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 91 and name HG2 )) ASSI { 5661} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 7 and name H )) 3.000 3.000 3.000 peak 5661 spectrum 1 weight 0.10000E+01 volume 0.14319E-02 ppm1 0.934 ppm2 8.659 CV 1 OR { 5661} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 5 and name H )) ASSI { 5664} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name H )) 2.800 1.000 1.000 peak 5664 spectrum 1 weight 0.10000E+01 volume 0.32700E-02 ppm1 2.189 ppm2 8.367 CV 1 OR { 5664} (( segid " " and resid 136 and name HG3 )) (( segid " " and resid 136 and name H )) OR { 5664} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 169 and name H )) OR { 5664} (( segid " " and resid 135 and name HG3 )) (( segid " " and resid 169 and name H )) ASSI { 66} (( segid " " and resid 1 and name H )) ( segid " " and resid 2 and name HG1%) 3.300 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.26583E-02 ppm1 8.145 ppm2 0.865 CV 1 OR { 66} (( segid " " and resid 1 and name H )) ( segid " " and resid 2 and name HG2%) OR { 66} (( segid " " and resid 67 and name H )) (( segid " " and resid 66 and name HD3 )) ASSI { 77} (( segid " " and resid 67 and name H )) (( segid " " and resid 66 and name HA )) 2.100 0.500 0.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10761E-01 ppm1 8.145 ppm2 4.399 CV 1 OR { 77} (( segid " " and resid 1 and name H )) (( segid " " and resid 1 and name HA )) ASSI { 102} (( segid " " and resid 198 and name H )) (( segid " " and resid 197 and name HB3 )) 2.300 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.57300E-02 ppm1 8.148 ppm2 2.687 CV 1 OR { 102} (( segid " " and resid 198 and name H )) (( segid " " and resid 198 and name HB2 )) ASSI { 168} (( segid " " and resid 195 and name H )) (( segid " " and resid 194 and name HD2 )) 4.300 2.300 1.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10404E-02 ppm1 8.782 ppm2 3.005 CV 1 OR { 168} (( segid " " and resid 62 and name H )) (( segid " " and resid 61 and name HB2 )) ASSI { 173} (( segid " " and resid 194 and name H )) (( segid " " and resid 194 and name HG2 )) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12939E-02 ppm1 8.645 ppm2 1.409 CV 1 OR { 173} (( segid " " and resid 194 and name H )) (( segid " " and resid 193 and name HG )) OR { 173} (( segid " " and resid 194 and name H )) (( segid " " and resid 194 and name HG3 )) ASSI { 179} (( segid " " and resid 195 and name H )) (( segid " " and resid 195 and name HB2 )) 2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.22123E-02 ppm1 8.782 ppm2 1.189 CV 1 OR { 179} (( segid " " and resid 62 and name H )) (( segid " " and resid 62 and name HB2 )) ASSI { 197} (( segid " " and resid 192 and name H )) (( segid " " and resid 191 and name HB2 )) 3.600 1.700 1.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 9.084 ppm2 1.644 CV 1 OR { 197} (( segid " " and resid 192 and name H )) (( segid " " and resid 130 and name HB )) ASSI { 212} (( segid " " and resid 193 and name H )) (( segid " " and resid 192 and name HB2 )) 3.700 1.700 1.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.18331E-02 ppm1 7.884 ppm2 1.380 CV 1 OR { 212} (( segid " " and resid 193 and name H )) (( segid " " and resid 91 and name HB2 )) ASSI { 238} (( segid " " and resid 110 and name H )) (( segid " " and resid 109 and name HB )) 2.300 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.51030E-02 ppm1 7.021 ppm2 4.014 CV 1 OR { 238} (( segid " " and resid 189 and name H )) (( segid " " and resid 189 and name HA )) ASSI { 300} (( segid " " and resid 184 and name H )) (( segid " " and resid 180 and name HA )) 4.700 2.800 1.300 peak 300 spectrum 1 weight 0.10000E+01 volume 0.47069E-03 ppm1 7.703 ppm2 3.842 CV 1 OR { 300} (( segid " " and resid 184 and name H )) (( segid " " and resid 185 and name HA )) ASSI { 343} (( segid " " and resid 58 and name H )) (( segid " " and resid 57 and name HB2 )) 3.000 1.200 1.200 peak 343 spectrum 1 weight 0.10000E+01 volume 0.12100E-02 ppm1 7.991 ppm2 1.792 CV 1 OR { 343} (( segid " " and resid 182 and name H )) (( segid " " and resid 181 and name HB3 )) ASSI { 347} (( segid " " and resid 182 and name H )) ( segid " " and resid 179 and name HG2%) 3.200 1.300 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 8.021 ppm2 1.190 CV 1 OR { 347} (( segid " " and resid 58 and name H )) (( segid " " and resid 58 and name HG3 )) ASSI { 356} (( segid " " and resid 181 and name H )) (( segid " " and resid 182 and name HB3 )) 5.100 3.300 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.36395E-03 ppm1 8.749 ppm2 2.325 CV 1 OR { 356} (( segid " " and resid 112 and name H )) (( segid " " and resid 113 and name HG3 )) ASSI { 377} (( segid " " and resid 180 and name H )) (( segid " " and resid 180 and name HB3 )) 3.800 1.800 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.13987E-02 ppm1 8.964 ppm2 1.176 CV 1 OR { 377} (( segid " " and resid 180 and name H )) ( segid " " and resid 179 and name HG2%) ASSI { 458} (( segid " " and resid 173 and name H )) ( segid " " and resid 174 and name HD2%) 4.800 2.800 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.57548E-03 ppm1 7.716 ppm2 0.686 CV 1 OR { 458} (( segid " " and resid 173 and name H )) ( segid " " and resid 171 and name HD1%) ASSI { 483} (( segid " " and resid 171 and name H )) (( segid " " and resid 170 and name HG3 )) 4.200 2.200 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.14501E-02 ppm1 8.208 ppm2 2.121 CV 1 OR { 483} (( segid " " and resid 171 and name H )) (( segid " " and resid 170 and name HG2 )) OR { 483} (( segid " " and resid 133 and name H )) (( segid " " and resid 132 and name HG3 )) ASSI { 544} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HB3 )) 2.600 0.800 0.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.89560E-02 ppm1 8.082 ppm2 1.789 CV 1 OR { 544} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HB3 )) ASSI { 588} (( segid " " and resid 132 and name H )) (( segid " " and resid 131 and name H )) 4.600 2.700 1.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 8.668 ppm2 8.427 CV 1 OR { 588} (( segid " " and resid 132 and name H )) (( segid " " and resid 191 and name H )) ASSI { 600} (( segid " " and resid 132 and name H )) (( segid " " and resid 132 and name HG2 )) 3.500 1.500 1.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.16274E-02 ppm1 8.664 ppm2 1.998 CV 1 OR { 600} (( segid " " and resid 132 and name H )) (( segid " " and resid 131 and name HB2 )) ASSI { 706} (( segid " " and resid 126 and name H )) (( segid " " and resid 127 and name HB3 )) 4.800 2.900 1.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.50689E-03 ppm1 7.706 ppm2 2.789 CV 1 OR { 706} (( segid " " and resid 126 and name H )) (( segid " " and resid 123 and name HB2 )) ASSI { 726} (( segid " " and resid 7 and name H )) (( segid " " and resid 7 and name HB3 )) 3.700 1.700 1.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.19818E-02 ppm1 8.677 ppm2 1.324 CV 1 OR { 726} (( segid " " and resid 7 and name H )) (( segid " " and resid 6 and name HB2 )) ASSI { 728} (( segid " " and resid 7 and name H )) (( segid " " and resid 7 and name HG3 )) 3.200 1.300 1.300 peak 728 spectrum 1 weight 0.10000E+01 volume 0.16235E-02 ppm1 8.684 ppm2 1.145 CV 1 OR { 728} (( segid " " and resid 123 and name H )) ( segid " " and resid 122 and name HG2%) ASSI { 750} (( segid " " and resid 121 and name H )) (( segid " " and resid 121 and name HB )) 2.500 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.40913E-02 ppm1 7.936 ppm2 1.225 CV 1 OR { 750} (( segid " " and resid 121 and name H )) (( segid " " and resid 119 and name HG12)) ASSI { 787} (( segid " " and resid 117 and name H )) (( segid " " and resid 119 and name H )) 3.900 1.900 1.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.74889E-03 ppm1 7.755 ppm2 7.476 CV 1 OR { 787} (( segid " " and resid 117 and name H )) (( segid " " and resid 114 and name H )) ASSI { 817} (( segid " " and resid 115 and name H )) (( segid " " and resid 112 and name HA )) 3.200 1.300 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11738E-02 ppm1 8.534 ppm2 3.845 CV 1 OR { 817} (( segid " " and resid 115 and name H )) (( segid " " and resid 114 and name HA )) ASSI { 862} (( segid " " and resid 18 and name H )) (( segid " " and resid 17 and name HB3 )) 2.800 1.000 1.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.51203E-02 ppm1 7.657 ppm2 1.466 CV 1 OR { 862} (( segid " " and resid 18 and name H )) (( segid " " and resid 18 and name HB3 )) ASSI { 873} (( segid " " and resid 113 and name H )) ( segid " " and resid 112 and name HD2%) 4.600 2.600 1.400 peak 873 spectrum 1 weight 0.10000E+01 volume 0.99280E-03 ppm1 7.650 ppm2 0.655 CV 1 OR { 873} (( segid " " and resid 113 and name H )) ( segid " " and resid 115 and name HD1%) ASSI { 951} (( segid " " and resid 105 and name H )) (( segid " " and resid 103 and name HB3 )) 3.900 1.900 1.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.63836E-03 ppm1 8.597 ppm2 2.616 CV 1 OR { 951} (( segid " " and resid 105 and name H )) (( segid " " and resid 104 and name HB2 )) ASSI { 978} (( segid " " and resid 104 and name H )) (( segid " " and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 978 spectrum 1 weight 0.10000E+01 volume 0.12424E-02 ppm1 8.395 ppm2 2.625 CV 1 OR { 978} (( segid " " and resid 104 and name H )) (( segid " " and resid 103 and name HB3 )) ASSI { 985} (( segid " " and resid 103 and name H )) (( segid " " and resid 106 and name HG3 )) 4.700 2.700 1.300 peak 985 spectrum 1 weight 0.10000E+01 volume 0.65361E-03 ppm1 8.022 ppm2 1.160 CV 1 OR { 985} (( segid " " and resid 103 and name H )) ( segid " " and resid 114 and name HG2%) ASSI { 1012} (( segid " " and resid 99 and name H )) (( segid " " and resid 100 and name H )) 4.000 2.000 2.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 8.413 ppm2 9.148 CV 1 OR { 1012} (( segid " " and resid 99 and name H )) (( segid " " and resid 98 and name H )) ASSI { 1018} (( segid " " and resid 100 and name H )) (( segid " " and resid 89 and name HA )) 3.700 1.700 1.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.16178E-02 ppm1 9.165 ppm2 4.637 CV 1 OR { 1018} (( segid " " and resid 100 and name H )) (( segid " " and resid 87 and name HA )) ASSI { 1024} (( segid " " and resid 31 and name H )) (( segid " " and resid 30 and name HD3 )) 4.500 2.600 1.500 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.69744E-03 ppm1 8.328 ppm2 3.220 CV 1 OR { 1024} (( segid " " and resid 31 and name H )) (( segid " " and resid 32 and name HA )) ASSI { 1031} (( segid " " and resid 98 and name H )) (( segid " " and resid 98 and name HB2 )) 3.400 1.500 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.17055E-02 ppm1 9.132 ppm2 1.641 CV 1 OR { 1031} (( segid " " and resid 98 and name H )) (( segid " " and resid 90 and name HB )) ASSI { 1060} (( segid " " and resid 100 and name H )) ( segid " " and resid 100 and name HG2%) 2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.26926E-02 ppm1 9.132 ppm2 0.686 CV 1 OR { 1060} (( segid " " and resid 98 and name H )) ( segid " " and resid 97 and name HG2%) ASSI { 1129} (( segid " " and resid 91 and name H )) (( segid " " and resid 92 and name HA )) 4.600 2.700 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.31632E-03 ppm1 9.214 ppm2 4.559 CV 1 OR { 1129} (( segid " " and resid 91 and name H )) (( segid " " and resid 190 and name HA )) ASSI { 1136} (( segid " " and resid 91 and name H )) (( segid " " and resid 90 and name HB )) 3.800 1.800 1.800 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.11586E-02 ppm1 9.215 ppm2 1.654 CV 1 OR { 1136} (( segid " " and resid 91 and name H )) (( segid " " and resid 191 and name HB2 )) ASSI { 1161} (( segid " " and resid 89 and name H )) ( segid " " and resid 99 and name HG2%) 4.300 2.300 1.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.53736E-03 ppm1 8.484 ppm2 0.915 CV 1 OR { 1161} (( segid " " and resid 89 and name H )) ( segid " " and resid 190 and name HG2%) ASSI { 1211} (( segid " " and resid 86 and name H )) (( segid " " and resid 85 and name HB2 )) 3.500 1.600 1.600 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.10671E-02 ppm1 9.302 ppm2 1.562 CV 1 OR { 1211} (( segid " " and resid 86 and name H )) (( segid " " and resid 101 and name HB3 )) ASSI { 1214} (( segid " " and resid 84 and name H )) (( segid " " and resid 46 and name HB2 )) 5.100 3.300 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.29728E-03 ppm1 8.101 ppm2 2.325 CV 1 OR { 1214} (( segid " " and resid 84 and name H )) (( segid " " and resid 84 and name HE3 )) ASSI { 1231} (( segid " " and resid 84 and name H )) (( segid " " and resid 84 and name HB3 )) 3.600 1.600 1.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 8.103 ppm2 0.928 CV 1 OR { 1231} (( segid " " and resid 84 and name H )) (( segid " " and resid 83 and name HG2 )) ASSI { 1260} (( segid " " and resid 82 and name H )) (( segid " " and resid 50 and name HB2 )) 4.500 2.500 1.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.72793E-03 ppm1 8.678 ppm2 2.433 CV 1 OR { 1260} (( segid " " and resid 82 and name H )) (( segid " " and resid 81 and name HB2 )) ASSI { 1270} (( segid " " and resid 80 and name H )) (( segid " " and resid 81 and name HA )) 4.400 2.400 1.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.39827E-03 ppm1 9.174 ppm2 5.429 CV 1 OR { 1270} (( segid " " and resid 80 and name H )) (( segid " " and resid 49 and name HA )) ASSI { 1311} (( segid " " and resid 79 and name H )) (( segid " " and resid 79 and name HA )) 2.900 1.100 1.100 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 9.052 ppm2 4.906 CV 1 OR { 1311} (( segid " " and resid 79 and name H )) (( segid " " and resid 8 and name HA )) ASSI { 1318} (( segid " " and resid 79 and name H )) (( segid " " and resid 79 and name HB3 )) 3.300 1.300 1.300 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.13663E-02 ppm1 9.053 ppm2 1.821 CV 1 OR { 1318} (( segid " " and resid 79 and name H )) (( segid " " and resid 7 and name HB2 )) ASSI { 1322} (( segid " " and resid 79 and name H )) (( segid " " and resid 6 and name HB2 )) 4.400 2.400 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.67265E-03 ppm1 9.051 ppm2 1.334 CV 1 OR { 1322} (( segid " " and resid 79 and name H )) (( segid " " and resid 7 and name HB3 )) ASSI { 1372} (( segid " " and resid 75 and name H )) (( segid " " and resid 75 and name HA )) 3.400 1.400 1.400 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 8.364 ppm2 4.719 CV 1 OR { 1372} (( segid " " and resid 75 and name H )) (( segid " " and resid 4 and name HA )) ASSI { 1441} (( segid " " and resid 71 and name H )) (( segid " " and resid 70 and name HA )) 3.300 1.300 1.300 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.15073E-02 ppm1 7.557 ppm2 3.925 CV 1 OR { 1441} (( segid " " and resid 71 and name H )) (( segid " " and resid 68 and name HA )) ASSI { 1459} (( segid " " and resid 31 and name H )) (( segid " " and resid 32 and name H )) 3.000 1.100 1.100 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.11110E-02 ppm1 8.345 ppm2 8.084 CV 1 OR { 1459} (( segid " " and resid 68 and name H )) (( segid " " and resid 69 and name H )) ASSI { 1485} (( segid " " and resid 68 and name H )) (( segid " " and resid 68 and name HG )) 2.600 0.800 0.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.23286E-02 ppm1 8.350 ppm2 1.657 CV 1 OR { 1485} (( segid " " and resid 31 and name H )) (( segid " " and resid 30 and name HG3 )) ASSI { 1518} (( segid " " and resid 66 and name H )) ( segid " " and resid 24 and name HE% ) 3.000 1.100 1.100 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.41654E-02 ppm1 7.469 ppm2 2.048 CV 1 OR { 1518} (( segid " " and resid 66 and name H )) (( segid " " and resid 66 and name HB2 )) ASSI { 1587} (( segid " " and resid 60 and name H )) (( segid " " and resid 60 and name HG12)) 3.000 1.100 1.100 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.24982E-02 ppm1 7.231 ppm2 0.929 CV 1 OR { 1587} (( segid " " and resid 60 and name H )) (( segid " " and resid 51 and name HB2 )) ASSI { 1617} (( segid " " and resid 125 and name H )) (( segid " " and resid 125 and name HB3 )) 3.500 1.600 1.600 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.13377E-02 ppm1 8.026 ppm2 2.452 CV 1 OR { 1617} (( segid " " and resid 58 and name H )) (( segid " " and resid 55 and name HB3 )) ASSI { 1644} (( segid " " and resid 57 and name H )) (( segid " " and resid 57 and name HD3 )) 3.600 1.600 1.600 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.22428E-02 ppm1 8.133 ppm2 1.638 CV 1 OR { 1644} (( segid " " and resid 57 and name H )) (( segid " " and resid 57 and name HD2 )) OR { 1644} (( segid " " and resid 57 and name H )) (( segid " " and resid 58 and name HD2 )) ASSI { 1671} (( segid " " and resid 53 and name H )) (( segid " " and resid 59 and name HA3 )) 3.000 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.59569E-02 ppm1 8.027 ppm2 3.709 CV 1 OR { 1671} (( segid " " and resid 53 and name H )) (( segid " " and resid 52 and name HB3 )) ASSI { 1713} (( segid " " and resid 51 and name H )) (( segid " " and resid 60 and name HG13)) 3.600 1.600 1.600 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 8.431 ppm2 1.306 CV 1 OR { 1713} (( segid " " and resid 51 and name H )) (( segid " " and resid 51 and name HG )) ASSI { 1724} (( segid " " and resid 50 and name H )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.18198E-02 ppm1 9.124 ppm2 5.427 CV 1 OR { 1724} (( segid " " and resid 50 and name H )) (( segid " " and resid 81 and name HA )) ASSI { 1756} (( segid " " and resid 48 and name H )) (( segid " " and resid 49 and name HA )) 4.300 2.300 1.700 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 8.610 ppm2 5.417 CV 1 OR { 1756} (( segid " " and resid 48 and name H )) (( segid " " and resid 81 and name HA )) ASSI { 1843} (( segid " " and resid 40 and name H )) (( segid " " and resid 40 and name HB2 )) 3.200 1.300 1.300 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.42533E-02 ppm1 7.365 ppm2 1.701 CV 1 OR { 1843} (( segid " " and resid 40 and name H )) (( segid " " and resid 33 and name HB3 )) ASSI { 1872} (( segid " " and resid 38 and name H )) (( segid " " and resid 38 and name HG2 )) 3.100 1.200 1.200 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.24010E-02 ppm1 9.469 ppm2 2.243 CV 1 OR { 1872} (( segid " " and resid 38 and name H )) (( segid " " and resid 37 and name HB3 )) ASSI { 1879} (( segid " " and resid 36 and name H )) (( segid " " and resid 36 and name HB )) 2.500 0.800 0.800 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.43370E-02 ppm1 7.977 ppm2 1.873 CV 1 OR { 1879} (( segid " " and resid 39 and name H )) (( segid " " and resid 36 and name HB )) ASSI { 1905} (( segid " " and resid 36 and name H )) (( segid " " and resid 37 and name HD3 )) 3.900 1.900 1.900 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.97755E-03 ppm1 7.981 ppm2 3.760 CV 1 OR { 1905} (( segid " " and resid 39 and name H )) (( segid " " and resid 37 and name HD2 )) OR { 1905} (( segid " " and resid 36 and name H )) (( segid " " and resid 37 and name HD2 )) ASSI { 1956} (( segid " " and resid 32 and name H )) (( segid " " and resid 32 and name HG12)) 4.200 2.200 1.800 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.99089E-03 ppm1 8.088 ppm2 0.986 CV 1 OR { 1956} (( segid " " and resid 32 and name H )) ( segid " " and resid 28 and name HB% ) ASSI { 2007} (( segid " " and resid 28 and name H )) (( segid " " and resid 23 and name HB )) 4.400 2.400 1.600 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.83464E-03 ppm1 8.611 ppm2 3.913 CV 1 OR { 2007} (( segid " " and resid 28 and name H )) (( segid " " and resid 29 and name HA )) ASSI { 2020} (( segid " " and resid 28 and name H )) ( segid " " and resid 49 and name HD1%) 4.000 2.000 2.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 8.611 ppm2 0.750 CV 1 OR { 2020} (( segid " " and resid 28 and name H )) ( segid " " and resid 25 and name HG1%) ASSI { 2052} (( segid " " and resid 26 and name H )) (( segid " " and resid 25 and name HB )) 2.900 1.100 1.100 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 8.697 ppm2 2.741 CV 1 OR { 2052} (( segid " " and resid 26 and name H )) (( segid " " and resid 24 and name HG3 )) ASSI { 2078} (( segid " " and resid 25 and name H )) (( segid " " and resid 25 and name HB )) 2.700 0.900 0.900 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.17131E-02 ppm1 9.462 ppm2 2.748 CV 1 OR { 2078} (( segid " " and resid 25 and name H )) (( segid " " and resid 24 and name HG3 )) ASSI { 2111} (( segid " " and resid 22 and name H )) (( segid " " and resid 20 and name HB3 )) 2.800 1.000 1.000 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.22333E-02 ppm1 7.377 ppm2 2.125 CV 1 OR { 2111} (( segid " " and resid 22 and name H )) (( segid " " and resid 21 and name HG2 )) ASSI { 2115} (( segid " " and resid 23 and name H )) ( segid " " and resid 23 and name HG2%) 3.000 1.100 1.100 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.21095E-02 ppm1 7.709 ppm2 1.370 CV 1 OR { 2115} (( segid " " and resid 23 and name H )) ( segid " " and resid 67 and name HB% ) ASSI { 2202} (( segid " " and resid 14 and name H )) ( segid " " and resid 13 and name HG2%) 2.300 0.600 0.600 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.52441E-02 ppm1 8.202 ppm2 0.803 CV 1 OR { 2202} (( segid " " and resid 14 and name H )) ( segid " " and resid 14 and name HG1%) ASSI { 2227} (( segid " " and resid 6 and name H )) (( segid " " and resid 5 and name H )) 4.100 2.100 1.900 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 8.885 ppm2 8.664 CV 1 OR { 2227} (( segid " " and resid 6 and name H )) (( segid " " and resid 7 and name H )) ASSI { 2242} (( segid " " and resid 6 and name H )) (( segid " " and resid 17 and name HB3 )) 3.900 1.900 1.900 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.79081E-03 ppm1 8.883 ppm2 1.471 CV 1 OR { 2242} (( segid " " and resid 6 and name H )) (( segid " " and resid 17 and name HB2 )) OR { 2242} (( segid " " and resid 6 and name H )) ( segid " " and resid 79 and name HE% ) ASSI { 2250} (( segid " " and resid 9 and name H )) (( segid " " and resid 79 and name H )) 4.000 2.000 2.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.61169E-03 ppm1 8.855 ppm2 9.039 CV 1 OR { 2250} (( segid " " and resid 9 and name H )) (( segid " " and resid 8 and name H )) ASSI { 2265} (( segid " " and resid 9 and name H )) (( segid " " and resid 79 and name HB3 )) 4.900 3.000 1.100 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.40016E-03 ppm1 8.854 ppm2 1.814 CV 1 OR { 2265} (( segid " " and resid 9 and name H )) (( segid " " and resid 14 and name HB )) ASSI { 2270} (( segid " " and resid 8 and name H )) (( segid " " and resid 15 and name HB2 )) 3.900 1.900 1.900 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.81368E-03 ppm1 9.021 ppm2 1.469 CV 1 OR { 2270} (( segid " " and resid 8 and name H )) (( segid " " and resid 17 and name HB2 )) ASSI { 2276} (( segid " " and resid 8 and name H )) ( segid " " and resid 14 and name HG2%) 3.200 1.300 1.300 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.24429E-02 ppm1 9.025 ppm2 0.721 CV 1 OR { 2276} (( segid " " and resid 8 and name H )) ( segid " " and resid 8 and name HD1%) ASSI { 2292} (( segid " " and resid 5 and name H )) (( segid " " and resid 4 and name HA )) 2.500 0.800 0.800 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 8.655 ppm2 4.720 CV 1 OR { 2292} (( segid " " and resid 5 and name H )) (( segid " " and resid 75 and name HA )) ASSI { 2301} (( segid " " and resid 4 and name H )) (( segid " " and resid 21 and name HB3 )) 4.800 2.800 1.200 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.48020E-03 ppm1 8.726 ppm2 2.347 CV 1 OR { 2301} (( segid " " and resid 4 and name H )) (( segid " " and resid 20 and name HG2 )) ASSI { 2312} (( segid " " and resid 5 and name H )) ( segid " " and resid 4 and name HD1%) 3.700 1.800 1.800 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.28622E-02 ppm1 8.655 ppm2 0.706 CV 1 OR { 2312} (( segid " " and resid 5 and name H )) ( segid " " and resid 6 and name HD1%) ASSI { 2325} (( segid " " and resid 3 and name H )) (( segid " " and resid 21 and name HB3 )) 4.900 3.000 1.100 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.48782E-03 ppm1 7.851 ppm2 2.358 CV 1 OR { 2325} (( segid " " and resid 3 and name H )) (( segid " " and resid 20 and name HG2 )) OR { 2325} (( segid " " and resid 3 and name H )) (( segid " " and resid 20 and name HG3 )) ASSI { 2445} (( segid " " and resid 123 and name HD22)) (( segid " " and resid 123 and name HA )) 5.100 3.200 0.900 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.71268E-03 ppm1 6.688 ppm2 4.897 CV 1 OR { 2445} (( segid " " and resid 18 and name HE22)) (( segid " " and resid 5 and name HA )) ASSI { 2477} (( segid " " and resid 85 and name HE22)) ( segid " " and resid 114 and name HG2%) 4.300 2.300 1.700 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.76605E-03 ppm1 7.282 ppm2 1.160 CV 1 OR { 2477} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 84 and name HB2 )) ASSI { 2496} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 102 and name HA )) 4.100 2.100 1.900 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.72793E-03 ppm1 7.283 ppm2 4.655 CV 1 OR { 2496} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 85 and name HA )) ASSI { 2504} (( segid " " and resid 91 and name HE )) ( segid " " and resid 97 and name HG2%) 3.100 1.200 1.200 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.19932E-02 ppm1 7.935 ppm2 0.702 CV 1 OR { 2504} (( segid " " and resid 91 and name HE )) ( segid " " and resid 192 and name HD2%) ASSI { 2512} (( segid " " and resid 33 and name HE )) (( segid " " and resid 44 and name HA )) 4.800 2.900 1.200 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.46686E-03 ppm1 7.669 ppm2 4.222 CV 1 OR { 2512} (( segid " " and resid 33 and name HE )) (( segid " " and resid 40 and name HA )) ASSI { 2527} (( segid " " and resid 178 and name HE )) (( segid " " and resid 178 and name HG3 )) 3.200 1.300 1.300 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.30281E-02 ppm1 7.408 ppm2 1.523 CV 1 OR { 2527} (( segid " " and resid 86 and name HE )) (( segid " " and resid 86 and name HG3 )) ASSI { 2610} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 50 and name HB2 )) 4.100 2.100 1.900 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.68601E-03 ppm1 10.989 ppm2 2.420 CV 1 OR { 2610} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 105 and name HB3 )) ASSI { 2614} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 86 and name HG3 )) 6.000 4.600 0.000 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.23820E-03 ppm1 10.990 ppm2 1.526 CV 1 OR { 2614} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 82 and name HG3 )) ASSI { 2627} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HA )) 2.100 0.600 0.600 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.13476E-01 ppm1 8.081 ppm2 4.210 CV 1 OR { 2627} (( segid " " and resid 13 and name H )) (( segid " " and resid 13 and name HA )) ASSI { 2657} (( segid " " and resid 181 and name H )) (( segid " " and resid 181 and name HA )) 3.200 1.300 1.300 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.13472E-02 ppm1 8.746 ppm2 3.988 CV 1 OR { 2657} (( segid " " and resid 112 and name H )) (( segid " " and resid 111 and name HA )) ASSI { 2700} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 132 and name HG2 )) 2.800 2.800 3.200 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.58119E-03 ppm1 10.155 ppm2 1.981 CV 1 OR { 2700} (( segid " " and resid 173 and name HE1 )) (( segid " " and resid 170 and name HB3 )) ASSI { 2702} (( segid " " and resid 131 and name HE )) (( segid " " and resid 133 and name HG )) 4.100 2.100 1.900 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.17112E-02 ppm1 9.030 ppm2 1.463 CV 1 OR { 2702} (( segid " " and resid 131 and name HE )) (( segid " " and resid 133 and name HB3 )) OR { 2702} (( segid " " and resid 131 and name HE )) (( segid " " and resid 129 and name HB3 )) ASSI { 2703} (( segid " " and resid 200 and name H )) (( segid " " and resid 197 and name HB3 )) 4.300 2.300 1.700 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.82701E-03 ppm1 8.238 ppm2 2.688 CV 1 OR { 2703} (( segid " " and resid 200 and name H )) (( segid " " and resid 201 and name HB3 )) ASSI { 2704} (( segid " " and resid 194 and name H )) ( segid " " and resid 129 and name HD2%) 2.600 2.600 3.400 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.84797E-03 ppm1 8.641 ppm2 0.637 CV 1 OR { 2704} (( segid " " and resid 194 and name H )) ( segid " " and resid 112 and name HD2%) OR { 2704} (( segid " " and resid 194 and name H )) ( segid " " and resid 90 and name HG2%) ASSI { 2705} (( segid " " and resid 193 and name H )) (( segid " " and resid 91 and name HB3 )) 3.800 1.800 1.800 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.63265E-03 ppm1 7.886 ppm2 1.656 CV 1 OR { 2705} (( segid " " and resid 193 and name H )) (( segid " " and resid 90 and name HB )) ASSI { 2706} (( segid " " and resid 191 and name H )) (( segid " " and resid 91 and name HB2 )) 3.900 1.900 1.900 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.63073E-03 ppm1 8.422 ppm2 1.361 CV 1 OR { 2706} (( segid " " and resid 191 and name H )) (( segid " " and resid 192 and name HG )) OR { 2706} (( segid " " and resid 191 and name H )) (( segid " " and resid 192 and name HB2 )) ASSI { 2707} (( segid " " and resid 110 and name H )) (( segid " " and resid 106 and name HB3 )) 3.300 1.400 1.400 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.36338E-02 ppm1 7.022 ppm2 1.908 CV 1 OR { 2707} (( segid " " and resid 110 and name H )) (( segid " " and resid 113 and name HB2 )) OR { 2707} (( segid " " and resid 110 and name H )) ( segid " " and resid 111 and name HE% ) ASSI { 2708} (( segid " " and resid 110 and name H )) ( segid " " and resid 112 and name HD2%) 4.500 2.600 1.500 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.66694E-03 ppm1 7.022 ppm2 0.685 CV 1 OR { 2708} (( segid " " and resid 110 and name H )) ( segid " " and resid 115 and name HD1%) OR { 2708} (( segid " " and resid 110 and name H )) ( segid " " and resid 129 and name HD1%) OR { 2708} (( segid " " and resid 189 and name H )) ( segid " " and resid 90 and name HD1%) OR { 2708} (( segid " " and resid 110 and name H )) ( segid " " and resid 102 and name HG2%) OR { 2708} (( segid " " and resid 110 and name H )) ( segid " " and resid 174 and name HD1%) OR { 2708} (( segid " " and resid 110 and name H )) ( segid " " and resid 88 and name HD1%) OR { 2708} (( segid " " and resid 110 and name H )) ( segid " " and resid 129 and name HD2%) OR { 2708} (( segid " " and resid 189 and name H )) ( segid " " and resid 192 and name HD2%) ASSI { 2714} (( segid " " and resid 186 and name H )) ( segid " " and resid 185 and name HG2%) 3.500 1.500 1.500 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.20428E-02 ppm1 8.813 ppm2 0.758 CV 1 OR { 2714} (( segid " " and resid 186 and name H )) ( segid " " and resid 133 and name HD1%) ASSI { 2715} (( segid " " and resid 185 and name H )) ( segid " " and resid 180 and name HD2%) 3.000 3.000 3.000 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.82701E-03 ppm1 7.337 ppm2 0.602 CV 1 OR { 2715} (( segid " " and resid 185 and name H )) ( segid " " and resid 90 and name HD1%) ASSI { 2716} (( segid " " and resid 184 and name H )) (( segid " " and resid 57 and name HB3 )) 3.000 3.000 3.000 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.52023E-03 ppm1 7.699 ppm2 1.790 CV 1 OR { 2716} (( segid " " and resid 184 and name H )) (( segid " " and resid 181 and name HB3 )) OR { 2716} (( segid " " and resid 184 and name H )) (( segid " " and resid 57 and name HB2 )) OR { 2716} (( segid " " and resid 184 and name H )) (( segid " " and resid 189 and name HB2 )) ASSI { 2718} (( segid " " and resid 112 and name H )) ( segid " " and resid 115 and name HD1%) 3.900 1.900 1.900 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.20256E-02 ppm1 8.752 ppm2 0.683 CV 1 OR { 2718} (( segid " " and resid 112 and name H )) ( segid " " and resid 112 and name HD2%) ASSI { 2722} (( segid " " and resid 170 and name H )) (( segid " " and resid 133 and name HB3 )) 5.100 3.300 0.900 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.51260E-03 ppm1 7.909 ppm2 1.441 CV 1 OR { 2722} (( segid " " and resid 170 and name H )) (( segid " " and resid 171 and name HG )) ASSI { 2723} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HA )) 2.000 0.500 0.500 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.19433E-01 ppm1 8.083 ppm2 4.252 CV 1 OR { 2723} (( segid " " and resid 13 and name H )) (( segid " " and resid 13 and name HA )) OR { 2723} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HA )) ASSI { 2727} (( segid " " and resid 138 and name H )) (( segid " " and resid 135 and name HB2 )) 2.900 1.100 1.100 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.34586E-02 ppm1 8.132 ppm2 1.896 CV 1 OR { 2727} (( segid " " and resid 137 and name H )) (( segid " " and resid 135 and name HB2 )) OR { 2727} (( segid " " and resid 137 and name H )) (( segid " " and resid 136 and name HB3 )) ASSI { 2728} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HG2 )) 3.000 1.100 1.100 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.72201E-02 ppm1 8.083 ppm2 1.325 CV 1 OR { 2728} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HG3 )) OR { 2728} (( segid " " and resid 138 and name H )) (( segid " " and resid 138 and name HG3 )) OR { 2728} (( segid " " and resid 138 and name H )) (( segid " " and resid 137 and name HG2 )) ASSI { 2729} (( segid " " and resid 133 and name H )) (( segid " " and resid 169 and name HA )) 3.900 1.900 1.900 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.93943E-03 ppm1 8.207 ppm2 4.437 CV 1 OR { 2729} (( segid " " and resid 133 and name H )) (( segid " " and resid 134 and name HA )) OR { 2729} (( segid " " and resid 133 and name H )) (( segid " " and resid 131 and name HA )) OR { 2729} (( segid " " and resid 171 and name H )) (( segid " " and resid 169 and name HA )) ASSI { 2731} (( segid " " and resid 131 and name H )) (( segid " " and resid 132 and name H )) 4.500 2.500 1.500 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.47069E-03 ppm1 8.420 ppm2 8.706 CV 1 OR { 2731} (( segid " " and resid 64 and name H )) (( segid " " and resid 26 and name H )) ASSI { 2732} (( segid " " and resid 127 and name H )) (( segid " " and resid 125 and name HB3 )) 4.500 2.600 1.500 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.47257E-03 ppm1 7.806 ppm2 2.450 CV 1 OR { 2732} (( segid " " and resid 127 and name H )) (( segid " " and resid 197 and name HB2 )) ASSI { 2733} (( segid " " and resid 127 and name H )) ( segid " " and resid 112 and name HD1%) 4.400 2.400 1.600 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 7.807 ppm2 0.734 CV 1 OR { 2733} (( segid " " and resid 127 and name H )) ( segid " " and resid 193 and name HD2%) ASSI { 2736} (( segid " " and resid 118 and name H )) (( segid " " and resid 119 and name HG12)) 4.200 2.200 1.800 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.77176E-03 ppm1 7.686 ppm2 1.255 CV 1 OR { 2736} (( segid " " and resid 118 and name H )) (( segid " " and resid 119 and name HG13)) OR { 2736} (( segid " " and resid 118 and name H )) (( segid " " and resid 100 and name HG12)) ASSI { 2737} (( segid " " and resid 118 and name H )) ( segid " " and resid 115 and name HG2%) 4.500 2.600 1.500 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.11872E-02 ppm1 7.688 ppm2 0.758 CV 1 OR { 2737} (( segid " " and resid 118 and name H )) (( segid " " and resid 115 and name HG13)) OR { 2737} (( segid " " and resid 118 and name H )) ( segid " " and resid 119 and name HG2%) OR { 2737} (( segid " " and resid 118 and name H )) (( segid " " and resid 115 and name HG12)) ASSI { 2738} (( segid " " and resid 190 and name H )) (( segid " " and resid 131 and name HB3 )) 4.600 2.700 1.400 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 8.674 ppm2 1.558 CV 1 OR { 2738} (( segid " " and resid 7 and name H )) (( segid " " and resid 4 and name HB2 )) OR { 2738} (( segid " " and resid 190 and name H )) (( segid " " and resid 192 and name HB3 )) OR { 2738} (( segid " " and resid 7 and name H )) (( segid " " and resid 18 and name HB2 )) ASSI { 2739} (( segid " " and resid 121 and name H )) ( segid " " and resid 117 and name HB% ) 3.300 3.300 2.700 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.48973E-03 ppm1 7.939 ppm2 1.437 CV 1 OR { 2739} (( segid " " and resid 121 and name H )) (( segid " " and resid 193 and name HG )) ASSI { 2740} (( segid " " and resid 120 and name H )) (( segid " " and resid 117 and name HA )) 3.100 1.200 1.200 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.22257E-02 ppm1 7.546 ppm2 4.112 CV 1 OR { 2740} (( segid " " and resid 120 and name H )) (( segid " " and resid 118 and name HA )) OR { 2740} (( segid " " and resid 120 and name H )) (( segid " " and resid 121 and name HA )) ASSI { 2742} (( segid " " and resid 117 and name H )) (( segid " " and resid 119 and name HG12)) 4.200 2.200 1.800 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.74698E-03 ppm1 7.754 ppm2 1.221 CV 1 OR { 2742} (( segid " " and resid 117 and name H )) (( segid " " and resid 121 and name HB )) ASSI { 2744} (( segid " " and resid 116 and name H )) (( segid " " and resid 118 and name HB2 )) 4.900 3.000 1.100 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.52594E-03 ppm1 8.348 ppm2 1.936 CV 1 OR { 2744} (( segid " " and resid 116 and name H )) (( segid " " and resid 113 and name HB2 )) OR { 2744} (( segid " " and resid 116 and name H )) (( segid " " and resid 119 and name HB )) OR { 2744} (( segid " " and resid 116 and name H )) (( segid " " and resid 118 and name HB3 )) ASSI { 2745} (( segid " " and resid 93 and name H )) ( segid " " and resid 92 and name HE% ) 5.100 3.200 0.900 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.49164E-03 ppm1 8.533 ppm2 1.922 CV 1 OR { 2745} (( segid " " and resid 115 and name H )) (( segid " " and resid 113 and name HB2 )) OR { 2745} (( segid " " and resid 115 and name H )) (( segid " " and resid 118 and name HB2 )) OR { 2745} (( segid " " and resid 93 and name H )) (( segid " " and resid 119 and name HB )) OR { 2745} (( segid " " and resid 115 and name H )) (( segid " " and resid 118 and name HB3 )) ASSI { 2746} (( segid " " and resid 113 and name H )) (( segid " " and resid 112 and name HB3 )) 2.600 0.800 0.800 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.25477E-02 ppm1 7.651 ppm2 1.805 CV 1 OR { 2746} (( segid " " and resid 124 and name H )) (( segid " " and resid 126 and name HG2 )) ASSI { 2747} (( segid " " and resid 114 and name H )) (( segid " " and resid 112 and name HB3 )) 4.400 2.400 1.600 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.83464E-03 ppm1 7.488 ppm2 1.803 CV 1 OR { 2747} (( segid " " and resid 114 and name H )) (( segid " " and resid 118 and name HG3 )) OR { 2747} (( segid " " and resid 33 and name H )) (( segid " " and resid 47 and name HB3 )) ASSI { 2748} (( segid " " and resid 114 and name H )) (( segid " " and resid 112 and name HB2 )) 4.400 2.500 1.600 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.79272E-03 ppm1 7.487 ppm2 1.631 CV 1 OR { 2748} (( segid " " and resid 33 and name H )) (( segid " " and resid 35 and name HG3 )) OR { 2748} (( segid " " and resid 33 and name H )) ( segid " " and resid 17 and name HE% ) OR { 2748} (( segid " " and resid 33 and name H )) (( segid " " and resid 40 and name HG )) OR { 2748} (( segid " " and resid 114 and name H )) (( segid " " and resid 118 and name HG2 )) OR { 2748} (( segid " " and resid 33 and name H )) (( segid " " and resid 35 and name HG2 )) ASSI { 2749} (( segid " " and resid 111 and name H )) ( segid " " and resid 115 and name HD1%) 5.200 3.300 0.800 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.59644E-03 ppm1 8.415 ppm2 0.656 CV 1 OR { 2749} (( segid " " and resid 111 and name H )) ( segid " " and resid 112 and name HD2%) OR { 2749} (( segid " " and resid 111 and name H )) ( segid " " and resid 88 and name HD1%) OR { 2749} (( segid " " and resid 111 and name H )) ( segid " " and resid 174 and name HD1%) ASSI { 2750} (( segid " " and resid 106 and name H )) (( segid " " and resid 103 and name HB3 )) 4.100 2.200 1.900 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 7.227 ppm2 2.606 CV 1 OR { 2750} (( segid " " and resid 106 and name H )) (( segid " " and resid 110 and name HB3 )) ASSI { 2751} (( segid " " and resid 104 and name H )) (( segid " " and resid 102 and name HB )) 4.500 2.600 1.500 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.46877E-03 ppm1 8.399 ppm2 1.952 CV 1 OR { 2751} (( segid " " and resid 104 and name H )) (( segid " " and resid 106 and name HB3 )) OR { 2751} (( segid " " and resid 104 and name H )) ( segid " " and resid 111 and name HE% ) OR { 2751} (( segid " " and resid 83 and name H )) (( segid " " and resid 43 and name HG2 )) ASSI { 2753} (( segid " " and resid 99 and name H )) (( segid " " and resid 90 and name HG12)) 4.800 2.800 1.200 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.43065E-03 ppm1 8.414 ppm2 1.081 CV 1 OR { 2753} (( segid " " and resid 99 and name H )) (( segid " " and resid 100 and name HG13)) ASSI { 2754} (( segid " " and resid 99 and name H )) ( segid " " and resid 100 and name HG2%) 4.400 2.500 1.600 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.82130E-03 ppm1 8.415 ppm2 0.669 CV 1 OR { 2754} (( segid " " and resid 99 and name H )) ( segid " " and resid 100 and name HD1%) OR { 2754} (( segid " " and resid 99 and name H )) ( segid " " and resid 90 and name HG2%) ASSI { 2757} (( segid " " and resid 95 and name H )) ( segid " " and resid 193 and name HD2%) 4.700 2.800 1.300 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.52403E-03 ppm1 7.981 ppm2 0.711 CV 1 OR { 2757} (( segid " " and resid 95 and name H )) ( segid " " and resid 97 and name HG2%) ASSI { 2758} (( segid " " and resid 96 and name H )) ( segid " " and resid 97 and name HG2%) 5.000 3.200 1.000 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.34111E-03 ppm1 8.048 ppm2 0.681 CV 1 OR { 2758} (( segid " " and resid 96 and name H )) ( segid " " and resid 193 and name HD2%) ASSI { 2759} (( segid " " and resid 92 and name H )) (( segid " " and resid 91 and name HB3 )) 4.500 2.500 1.500 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.74318E-03 ppm1 8.936 ppm2 1.646 CV 1 OR { 2759} (( segid " " and resid 92 and name H )) (( segid " " and resid 90 and name HB )) ASSI { 2760} (( segid " " and resid 90 and name H )) (( segid " " and resid 89 and name H )) 4.700 2.800 1.300 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.42494E-03 ppm1 8.810 ppm2 8.446 CV 1 OR { 2760} (( segid " " and resid 90 and name H )) (( segid " " and resid 99 and name H )) ASSI { 2762} (( segid " " and resid 86 and name H )) (( segid " " and resid 85 and name HG2 )) 4.400 2.400 1.600 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.99280E-03 ppm1 9.303 ppm2 1.882 CV 1 OR { 2762} (( segid " " and resid 86 and name H )) (( segid " " and resid 88 and name HB2 )) OR { 2762} (( segid " " and resid 86 and name H )) (( segid " " and resid 101 and name HB2 )) OR { 2762} (( segid " " and resid 86 and name H )) (( segid " " and resid 87 and name HG3 )) ASSI { 2763} (( segid " " and resid 82 and name H )) ( segid " " and resid 8 and name HG2%) 2.800 2.800 3.200 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.56786E-03 ppm1 8.681 ppm2 0.739 CV 1 OR { 2763} (( segid " " and resid 82 and name H )) ( segid " " and resid 49 and name HD1%) OR { 2763} (( segid " " and resid 82 and name H )) ( segid " " and resid 8 and name HD1%) OR { 2763} (( segid " " and resid 82 and name H )) ( segid " " and resid 32 and name HG2%) OR { 2763} (( segid " " and resid 82 and name H )) ( segid " " and resid 25 and name HG1%) ASSI { 2764} (( segid " " and resid 78 and name H )) (( segid " " and resid 7 and name HD3 )) 4.100 2.100 1.900 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.35253E-03 ppm1 8.156 ppm2 1.459 CV 1 OR { 2764} (( segid " " and resid 78 and name H )) ( segid " " and resid 79 and name HE% ) OR { 2764} (( segid " " and resid 78 and name H )) (( segid " " and resid 8 and name HG12)) ASSI { 2765} (( segid " " and resid 78 and name H )) (( segid " " and resid 73 and name HB3 )) 5.000 3.100 1.000 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.38874E-03 ppm1 8.160 ppm2 1.336 CV 1 OR { 2765} (( segid " " and resid 78 and name H )) (( segid " " and resid 51 and name HG )) OR { 2765} (( segid " " and resid 78 and name H )) (( segid " " and resid 7 and name HB3 )) ASSI { 2767} (( segid " " and resid 77 and name H )) (( segid " " and resid 74 and name HG3 )) 3.700 1.700 1.700 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.87084E-03 ppm1 8.070 ppm2 1.617 CV 1 OR { 2767} (( segid " " and resid 77 and name H )) (( segid " " and resid 6 and name HB3 )) OR { 2767} (( segid " " and resid 53 and name H )) (( segid " " and resid 58 and name HD3 )) OR { 2767} (( segid " " and resid 53 and name H )) (( segid " " and resid 58 and name HD2 )) ASSI { 2769} (( segid " " and resid 73 and name H )) ( segid " " and resid 51 and name HD2%) 4.200 2.200 1.800 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.17207E-02 ppm1 6.773 ppm2 0.708 CV 1 OR { 2769} (( segid " " and resid 73 and name H )) ( segid " " and resid 4 and name HD2%) OR { 2769} (( segid " " and resid 73 and name H )) ( segid " " and resid 6 and name HD1%) ASSI { 2770} (( segid " " and resid 72 and name H )) ( segid " " and resid 51 and name HD2%) 5.700 4.000 0.300 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.34491E-03 ppm1 7.824 ppm2 0.718 CV 1 OR { 2770} (( segid " " and resid 72 and name H )) ( segid " " and resid 6 and name HD1%) ASSI { 2772} (( segid " " and resid 71 and name H )) ( segid " " and resid 4 and name HD2%) 4.900 3.100 1.100 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.52974E-03 ppm1 7.557 ppm2 0.721 CV 1 OR { 2772} (( segid " " and resid 71 and name H )) ( segid " " and resid 6 and name HD1%) OR { 2772} (( segid " " and resid 71 and name H )) ( segid " " and resid 4 and name HD1%) OR { 2772} (( segid " " and resid 71 and name H )) ( segid " " and resid 51 and name HD2%) ASSI { 2773} (( segid " " and resid 69 and name H )) (( segid " " and resid 73 and name HG )) 4.600 2.600 1.400 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.49353E-03 ppm1 8.077 ppm2 1.498 CV 1 OR { 2773} (( segid " " and resid 69 and name H )) (( segid " " and resid 4 and name HG )) OR { 2773} (( segid " " and resid 69 and name H )) (( segid " " and resid 73 and name HB2 )) ASSI { 2774} (( segid " " and resid 69 and name H )) (( segid " " and resid 66 and name HG2 )) 5.000 3.200 1.000 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.42494E-03 ppm1 8.081 ppm2 0.988 CV 1 OR { 2774} (( segid " " and resid 69 and name H )) ( segid " " and resid 28 and name HB% ) OR { 2774} (( segid " " and resid 69 and name H )) (( segid " " and resid 66 and name HG3 )) ASSI { 2775} (( segid " " and resid 68 and name H )) (( segid " " and resid 66 and name HD3 )) 5.100 3.300 0.900 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.38111E-03 ppm1 8.337 ppm2 0.877 CV 1 OR { 2775} (( segid " " and resid 31 and name H )) ( segid " " and resid 49 and name HD2%) OR { 2775} (( segid " " and resid 68 and name H )) ( segid " " and resid 6 and name HD2%) OR { 2775} (( segid " " and resid 68 and name H )) ( segid " " and resid 49 and name HD2%) OR { 2775} (( segid " " and resid 31 and name H )) ( segid " " and resid 40 and name HD1%) ASSI { 2784} (( segid " " and resid 77 and name H )) (( segid " " and resid 73 and name HB3 )) 5.100 3.200 0.900 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 8.028 ppm2 1.306 CV 1 OR { 2784} (( segid " " and resid 53 and name H )) (( segid " " and resid 60 and name HG13)) OR { 2784} (( segid " " and resid 53 and name H )) (( segid " " and resid 51 and name HG )) OR { 2784} (( segid " " and resid 53 and name H )) (( segid " " and resid 58 and name HG2 )) ASSI { 2786} (( segid " " and resid 48 and name H )) (( segid " " and resid 84 and name HB3 )) 5.300 3.600 0.700 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.45161E-03 ppm1 8.609 ppm2 0.906 CV 1 OR { 2786} (( segid " " and resid 48 and name H )) (( segid " " and resid 83 and name HG3 )) OR { 2786} (( segid " " and resid 48 and name H )) (( segid " " and resid 83 and name HG2 )) ASSI { 2787} (( segid " " and resid 48 and name H )) (( segid " " and resid 82 and name HB2 )) 5.000 3.100 1.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.45544E-03 ppm1 8.608 ppm2 1.461 CV 1 OR { 2787} (( segid " " and resid 48 and name H )) (( segid " " and resid 82 and name HG2 )) OR { 2787} (( segid " " and resid 48 and name H )) (( segid " " and resid 49 and name HB2 )) OR { 2787} (( segid " " and resid 48 and name H )) (( segid " " and resid 83 and name HD2 )) OR { 2787} (( segid " " and resid 48 and name H )) (( segid " " and resid 83 and name HD3 )) ASSI { 2788} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name HG2 )) 4.800 2.800 1.200 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.55261E-03 ppm1 7.850 ppm2 1.868 CV 1 OR { 2788} (( segid " " and resid 127 and name H )) (( segid " " and resid 126 and name HB2 )) OR { 2788} (( segid " " and resid 46 and name H )) (( segid " " and resid 47 and name HB3 )) ASSI { 2790} (( segid " " and resid 42 and name H )) (( segid " " and resid 44 and name HB3 )) 4.500 2.500 1.500 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.10900E-02 ppm1 7.584 ppm2 1.967 CV 1 OR { 2790} (( segid " " and resid 42 and name H )) (( segid " " and resid 43 and name HG2 )) OR { 2790} (( segid " " and resid 42 and name H )) (( segid " " and resid 43 and name HG3 )) ASSI { 2791} (( segid " " and resid 42 and name H )) (( segid " " and resid 43 and name HB3 )) 5.000 3.200 1.000 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 7.584 ppm2 2.318 CV 1 OR { 2791} (( segid " " and resid 42 and name H )) (( segid " " and resid 46 and name HB2 )) ASSI { 2793} (( segid " " and resid 2 and name H )) (( segid " " and resid 20 and name HG2 )) 4.700 2.700 1.300 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.49353E-03 ppm1 7.973 ppm2 2.353 CV 1 OR { 2793} (( segid " " and resid 2 and name H )) (( segid " " and resid 21 and name HB3 )) OR { 2793} (( segid " " and resid 2 and name H )) (( segid " " and resid 20 and name HG3 )) ASSI { 2796} (( segid " " and resid 30 and name H )) ( segid " " and resid 32 and name HG2%) 4.100 2.100 1.900 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.65552E-03 ppm1 7.176 ppm2 0.744 CV 1 OR { 2796} (( segid " " and resid 30 and name H )) ( segid " " and resid 49 and name HD1%) ASSI { 2797} (( segid " " and resid 28 and name H )) (( segid " " and resid 30 and name H )) 4.300 2.300 1.700 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.52023E-03 ppm1 8.610 ppm2 7.144 CV 1 OR { 2797} (( segid " " and resid 28 and name H )) ( segid " " and resid 19 and name HE% ) ASSI { 2799} (( segid " " and resid 27 and name H )) (( segid " " and resid 23 and name HA )) 4.400 2.400 1.600 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.71648E-03 ppm1 6.716 ppm2 3.911 CV 1 OR { 2799} (( segid " " and resid 27 and name H )) (( segid " " and resid 23 and name HB )) OR { 2799} (( segid " " and resid 27 and name H )) (( segid " " and resid 29 and name HA )) ASSI { 2802} (( segid " " and resid 22 and name H )) (( segid " " and resid 20 and name HB2 )) 3.600 1.600 1.600 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.96230E-03 ppm1 7.377 ppm2 1.923 CV 1 OR { 2802} (( segid " " and resid 22 and name H )) (( segid " " and resid 21 and name HG3 )) ASSI { 2805} (( segid " " and resid 17 and name H )) (( segid " " and resid 8 and name HG13)) 4.500 2.500 1.500 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.79081E-03 ppm1 9.133 ppm2 1.673 CV 1 OR { 2805} (( segid " " and resid 17 and name H )) ( segid " " and resid 17 and name HE% ) ASSI { 2808} (( segid " " and resid 6 and name H )) (( segid " " and resid 4 and name HB2 )) 4.500 2.500 1.500 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.12005E-02 ppm1 8.886 ppm2 1.563 CV 1 OR { 2808} (( segid " " and resid 6 and name H )) (( segid " " and resid 18 and name HB2 )) ASSI { 2811} (( segid " " and resid 4 and name H )) (( segid " " and resid 18 and name HG2 )) 4.400 2.500 1.600 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.45924E-03 ppm1 8.726 ppm2 2.031 CV 1 OR { 2811} (( segid " " and resid 4 and name H )) (( segid " " and resid 18 and name HG3 )) OR { 2811} (( segid " " and resid 4 and name H )) (( segid " " and resid 2 and name HB )) ASSI { 2813} (( segid " " and resid 172 and name HD22)) ( segid " " and resid 185 and name HG1%) 2.600 2.600 3.400 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.73173E-03 ppm1 6.980 ppm2 0.677 CV 1 OR { 2813} (( segid " " and resid 172 and name HD22)) ( segid " " and resid 174 and name HD2%) ASSI { 2814} (( segid " " and resid 172 and name HD21)) ( segid " " and resid 185 and name HG1%) 2.600 2.600 3.400 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.73935E-03 ppm1 7.388 ppm2 0.687 CV 1 OR { 2814} (( segid " " and resid 172 and name HD21)) ( segid " " and resid 174 and name HD2%) ASSI { 2817} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 131 and name HB3 )) 4.000 2.000 2.000 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.83081E-03 ppm1 7.389 ppm2 1.564 CV 1 OR { 2817} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 133 and name HB2 )) OR { 2817} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 138 and name HD3 )) ASSI { 2818} (( segid " " and resid 172 and name HD21)) (( segid " " and resid 131 and name HB2 )) 3.300 1.300 1.300 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.98709E-03 ppm1 7.390 ppm2 1.996 CV 1 OR { 2818} (( segid " " and resid 202 and name HE22)) (( segid " " and resid 202 and name HB2 )) ASSI { 2821} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 84 and name HB3 )) 5.000 3.100 1.000 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.51640E-03 ppm1 7.283 ppm2 0.927 CV 1 OR { 2821} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 83 and name HG2 )) ASSI { 2822} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 85 and name HB2 )) 4.500 2.500 1.500 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.11071E-02 ppm1 7.284 ppm2 1.560 CV 1 OR { 2822} (( segid " " and resid 85 and name HE22)) (( segid " " and resid 101 and name HB3 )) ASSI { 2825} (( segid " " and resid 178 and name HE )) (( segid " " and resid 178 and name HB3 )) 3.600 1.600 1.600 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.12996E-02 ppm1 7.409 ppm2 1.982 CV 1 OR { 2825} (( segid " " and resid 86 and name HE )) (( segid " " and resid 187 and name HG2 )) ASSI { 2826} (( segid " " and resid 178 and name HE )) (( segid " " and resid 183 and name HG3 )) 3.600 1.600 1.600 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.23076E-02 ppm1 7.408 ppm2 2.594 CV 1 OR { 2826} (( segid " " and resid 86 and name HE )) (( segid " " and resid 104 and name HB2 )) OR { 2826} (( segid " " and resid 178 and name HE )) (( segid " " and resid 182 and name HG2 )) ASSI { 2827} (( segid " " and resid 86 and name HE )) (( segid " " and resid 88 and name HA )) 3.900 1.900 1.900 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.62311E-03 ppm1 7.402 ppm2 4.629 CV 1 OR { 2827} (( segid " " and resid 86 and name HE )) (( segid " " and resid 87 and name HA )) OR { 2827} (( segid " " and resid 86 and name HE )) (( segid " " and resid 85 and name HA )) ASSI { 2829} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 82 and name HD3 )) 5.100 3.300 0.900 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.23629E-03 ppm1 10.987 ppm2 2.178 CV 1 OR { 2829} (( segid " " and resid 61 and name HE1 )) (( segid " " and resid 50 and name HB3 )) ASSI { 2830} (( segid " " and resid 92 and name H )) (( segid " " and resid 91 and name HB3 )) 4.600 2.600 1.400 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.45732E-03 ppm1 8.936 ppm2 1.715 CV 1 OR { 2830} (( segid " " and resid 92 and name H )) (( segid " " and resid 93 and name HB2 )) ASSI { 2834} (( segid " " and resid 69 and name H )) (( segid " " and resid 22 and name HB2 )) 3.100 3.100 2.900 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.30679E-03 ppm1 8.076 ppm2 3.795 CV 1 OR { 2834} (( segid " " and resid 69 and name H )) (( segid " " and resid 21 and name HD3 )) ASSI { 2835} (( segid " " and resid 90 and name H )) (( segid " " and resid 98 and name HG3 )) 3.900 1.900 1.900 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 8.806 ppm2 1.293 CV 1 OR { 2835} (( segid " " and resid 90 and name H )) (( segid " " and resid 89 and name HG2 )) OR { 2835} (( segid " " and resid 90 and name H )) (( segid " " and resid 98 and name HG2 )) OR { 2835} (( segid " " and resid 90 and name H )) (( segid " " and resid 89 and name HG3 )) ASSI { 2836} (( segid " " and resid 91 and name H )) ( segid " " and resid 97 and name HG2%) 4.100 2.100 1.900 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.11167E-02 ppm1 9.212 ppm2 0.694 CV 1 OR { 2836} (( segid " " and resid 91 and name H )) ( segid " " and resid 192 and name HD1%) OR { 2836} (( segid " " and resid 91 and name H )) ( segid " " and resid 193 and name HD2%) OR { 2836} (( segid " " and resid 91 and name H )) ( segid " " and resid 192 and name HD2%) OR { 2836} (( segid " " and resid 91 and name H )) ( segid " " and resid 115 and name HG2%) OR { 2836} (( segid " " and resid 91 and name H )) ( segid " " and resid 115 and name HD1%) ASSI { 2838} (( segid " " and resid 102 and name H )) (( segid " " and resid 102 and name HA )) 3.800 1.800 1.800 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.39827E-03 ppm1 8.779 ppm2 4.608 CV 1 OR { 2838} (( segid " " and resid 102 and name H )) (( segid " " and resid 87 and name HA )) ASSI { 2839} (( segid " " and resid 127 and name H )) (( segid " " and resid 125 and name HA )) 3.800 1.800 1.800 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.79272E-03 ppm1 7.806 ppm2 4.417 CV 1 OR { 2839} (( segid " " and resid 127 and name H )) (( segid " " and resid 124 and name HA )) ASSI { 2845} (( segid " " and resid 123 and name H )) ( segid " " and resid 127 and name HE% ) 5.300 3.600 0.700 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.36207E-03 ppm1 8.688 ppm2 6.648 CV 1 OR { 2845} (( segid " " and resid 123 and name H )) (( segid " " and resid 123 and name HD22)) ASSI { 2846} (( segid " " and resid 23 and name H )) ( segid " " and resid 19 and name HD% ) 5.800 4.300 0.200 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.32775E-03 ppm1 7.709 ppm2 7.061 CV 1 OR { 2846} (( segid " " and resid 23 and name H )) ( segid " " and resid 26 and name HD% ) ASSI { 1} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 60 and name HG13)) 3.800 1.900 1.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.17038E-02 ppm1 5.489 ppm2 1.288 CV 1 OR { 1} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 49 and name HB3 )) OR { 1} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 51 and name HG )) ASSI { 5} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 47 and name HB3 )) 3.600 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 6.811 ppm2 1.785 CV 1 OR { 5} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 49 and name HG )) ASSI { 9} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 49 and name HD2%) 3.900 1.900 1.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.23615E-02 ppm1 7.114 ppm2 0.877 CV 1 OR { 9} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 6 and name HD2%) OR { 9} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 73 and name HD1%) OR { 9} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 36 and name HG2%) ASSI { 16} ( segid " " and resid 19 and name HD% ) ( segid " " and resid 6 and name HD1%) 2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.76589E-02 ppm1 7.053 ppm2 0.710 CV 1 OR { 16} ( segid " " and resid 19 and name HD% ) ( segid " " and resid 8 and name HD1%) ASSI { 19} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 17 and name HB3 )) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.34558E-02 ppm1 7.053 ppm2 1.466 CV 1 OR { 19} ( segid " " and resid 19 and name HD% ) ( segid " " and resid 79 and name HE% ) ASSI { 40} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.31379E-02 ppm1 7.064 ppm2 2.599 CV 1 OR { 40} ( segid " " and resid 26 and name HD% ) (( segid " " and resid 24 and name HG2 )) ASSI { 41} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 27 and name HB2 )) 2.700 0.900 0.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.32374E-02 ppm1 6.778 ppm2 2.593 CV 1 OR { 41} ( segid " " and resid 26 and name HE% ) (( segid " " and resid 24 and name HG2 )) ASSI { 68} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.29456E-02 ppm1 7.075 ppm2 1.344 CV 1 OR { 68} ( segid " " and resid 47 and name HE% ) ( segid " " and resid 41 and name HB% ) ASSI { 82} ( segid " " and resid 50 and name HE% ) (( segid " " and resid 52 and name HB3 )) 3.300 1.400 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.24353E-02 ppm1 6.499 ppm2 3.701 CV 1 OR { 82} ( segid " " and resid 50 and name HE% ) (( segid " " and resid 59 and name HA3 )) ASSI { 87} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 61 and name HA )) 3.400 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.99466E-03 ppm1 5.505 ppm2 4.882 CV 1 OR { 87} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 79 and name HA )) ASSI { 98} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 80 and name H )) 4.100 2.100 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.10941E-02 ppm1 5.497 ppm2 9.133 CV 1 OR { 98} ( segid " " and resid 50 and name HD% ) (( segid " " and resid 50 and name H )) ASSI { 174} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 81 and name HA )) 3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.28012E-02 ppm1 6.809 ppm2 5.407 CV 1 OR { 174} ( segid " " and resid 81 and name HD% ) (( segid " " and resid 49 and name HA )) ASSI { 213} ( segid " " and resid 127 and name HE% ) (( segid " " and resid 124 and name HA )) 3.800 1.800 1.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.12161E-02 ppm1 6.624 ppm2 4.386 CV 1 OR { 213} ( segid " " and resid 199 and name HE% ) (( segid " " and resid 200 and name HA )) ASSI { 232} (( segid " " and resid 173 and name HH2 )) (( segid " " and resid 194 and name HE )) 2.600 0.900 0.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.30738E-02 ppm1 6.848 ppm2 7.327 CV 1 OR { 232} (( segid " " and resid 173 and name HH2 )) (( segid " " and resid 173 and name HZ2 )) ASSI { 271} (( segid " " and resid 19 and name HZ )) (( segid " " and resid 32 and name HG13)) 3.500 1.500 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.15369E-02 ppm1 6.963 ppm2 0.989 CV 1 OR { 271} (( segid " " and resid 19 and name HZ )) ( segid " " and resid 28 and name HB% ) ASSI { 272} (( segid " " and resid 19 and name HZ )) (( segid " " and resid 17 and name HB3 )) 3.000 1.100 1.100 peak 272 spectrum 1 weight 0.10000E+01 volume 0.19540E-02 ppm1 6.957 ppm2 1.460 CV 1 OR { 272} (( segid " " and resid 19 and name HZ )) (( segid " " and resid 17 and name HB2 )) OR { 272} (( segid " " and resid 19 and name HZ )) (( segid " " and resid 8 and name HG12)) ASSI { 273} (( segid " " and resid 19 and name HZ )) (( segid " " and resid 8 and name HG13)) 2.900 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.22845E-02 ppm1 6.963 ppm2 1.674 CV 1 OR { 273} (( segid " " and resid 19 and name HZ )) ( segid " " and resid 17 and name HE% ) ASSI { 275} (( segid " " and resid 19 and name HZ )) ( segid " " and resid 19 and name HE% ) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.75403E-02 ppm1 6.960 ppm2 7.114 CV 1 OR { 275} (( segid " " and resid 197 and name HZ )) ( segid " " and resid 197 and name HE% ) ASSI { 280} ( segid " " and resid 198 and name HD% ) (( segid " " and resid 198 and name HB2 )) 2.600 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.56920E-02 ppm1 6.962 ppm2 2.685 CV 1 OR { 280} ( segid " " and resid 197 and name HD% ) (( segid " " and resid 197 and name HB3 )) ASSI { 282} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 195 and name HD3 )) 3.500 1.500 1.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 7.096 ppm2 2.685 CV 1 OR { 282} ( segid " " and resid 198 and name HE% ) (( segid " " and resid 198 and name HB2 )) ASSI { 283} ( segid " " and resid 198 and name HD% ) (( segid " " and resid 198 and name H )) 3.800 1.800 1.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13540E-02 ppm1 6.961 ppm2 8.155 CV 1 OR { 283} ( segid " " and resid 197 and name HD% ) (( segid " " and resid 198 and name H )) ASSI { 304} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 17 and name HB3 )) 2.600 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.51563E-02 ppm1 7.120 ppm2 1.468 CV 1 OR { 304} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 17 and name HB2 )) OR { 304} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 79 and name HE% ) OR { 304} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 83 and name HD3 )) ASSI { 305} ( segid " " and resid 19 and name HE% ) ( segid " " and resid 17 and name HE% ) 2.800 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.37540E-02 ppm1 7.122 ppm2 1.660 CV 1 OR { 305} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 8 and name HG13))
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