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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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607677 |
2n71 ![]() ![]() |
25789 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 14 and name HH2 )) 3.500 1.500 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.52409E-03 ppm1 1.089 ppm2 7.151 CV 1 OR { 1} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 34 and name HN )) ASSI { 2} (( segid " " and resid 46 and name HN )) (( segid " " and resid 20 and name HN )) 4.200 2.200 1.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14422E-03 ppm1 7.245 ppm2 9.783 CV 1 OR { 2} (( segid " " and resid 42 and name HN )) (( segid " " and resid 20 and name HN )) ASSI { 9} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HN )) 4.300 2.300 1.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.13344E-03 ppm1 8.449 ppm2 9.788 CV 1 OR { 9} (( segid " " and resid 44 and name HN )) (( segid " " and resid 20 and name HN )) ASSI { 13} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.100 1.200 1.200 peak 13 spectrum 1 weight 0.10000E+01 volume 0.72108E-03 ppm1 1.090 ppm2 8.226 CV 1 OR { 13} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HN )) ASSI { 19} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HD3 )) 2.100 0.500 0.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.10445E-01 ppm1 4.518 ppm2 3.048 CV 1 OR { 19} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB3 )) OR { 19} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB3 )) ASSI { 28} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 3.600 1.600 1.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.47577E-03 ppm1 8.382 ppm2 8.235 CV 1 OR { 28} (( segid " " and resid 50 and name HN )) (( segid " " and resid 24 and name HN )) OR { 28} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 40} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 18 and name HN )) 4.500 2.600 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.10556E-03 ppm1 8.730 ppm2 8.245 CV 1 OR { 40} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 49 and name HN )) ASSI { 50} (( segid " " and resid 14 and name HZ3 )) (( segid " " and resid 14 and name HE1 )) 4.900 3.000 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.65047E-04 ppm1 7.056 ppm2 10.304 CV 1 OR { 50} ( segid " " and resid 15 and name HD% ) (( segid " " and resid 14 and name HE1 )) ASSI { 56} (( segid " " and resid 50 and name HN )) (( segid " " and resid 19 and name HN )) 5.200 3.300 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.62445E-04 ppm1 8.383 ppm2 9.680 CV 1 OR { 56} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 57} (( segid " " and resid 17 and name HN )) (( segid " " and resid 25 and name HN )) 3.300 1.300 1.300 peak 57 spectrum 1 weight 0.10000E+01 volume 0.70993E-03 ppm1 8.361 ppm2 9.531 CV 1 OR { 57} (( segid " " and resid 50 and name HN )) (( segid " " and resid 25 and name HN )) ASSI { 58} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 4.200 2.200 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.18361E-03 ppm1 8.242 ppm2 9.682 CV 1 OR { 58} (( segid " " and resid 24 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 59} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 4.300 2.300 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.16095E-03 ppm1 8.228 ppm2 9.532 CV 1 OR { 59} (( segid " " and resid 18 and name HN )) (( segid " " and resid 25 and name HN )) ASSI { 71} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 5.000 3.100 1.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.63560E-04 ppm1 8.824 ppm2 9.197 CV 1 OR { 71} (( segid " " and resid 21 and name HN )) (( segid " " and resid 45 and name HN )) ASSI { 84} (( segid " " and resid 30 and name HD22)) (( segid " " and resid 26 and name HN )) 4.400 2.400 1.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10594E-03 ppm1 7.191 ppm2 9.282 CV 1 OR { 84} (( segid " " and resid 14 and name HH2 )) (( segid " " and resid 26 and name HN )) ASSI { 89} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 8.452 ppm2 8.808 CV 1 OR { 89} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HN )) ASSI { 90} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 3.000 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 8.504 ppm2 8.839 CV 1 OR { 90} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 92} (( segid " " and resid 4 and name HN )) (( segid " " and resid 2 and name HN )) 5.000 3.100 1.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.58727E-04 ppm1 8.379 ppm2 8.814 CV 1 OR { 92} (( segid " " and resid 4 and name HN )) (( segid " " and resid 6 and name HN )) ASSI { 105} ( segid " " and resid 15 and name HD% ) (( segid " " and resid 14 and name HN )) 5.000 3.200 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.46090E-04 ppm1 7.067 ppm2 8.835 CV 1 OR { 105} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 21 and name HN )) OR { 105} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 43 and name HN )) ASSI { 107} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 6 and name HN )) 3.500 1.600 1.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.36910E-03 ppm1 6.894 ppm2 8.845 CV 1 OR { 107} ( segid " " and resid 31 and name HE% ) (( segid " " and resid 43 and name HN )) ASSI { 112} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD21)) 6.000 4.900 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.14682E-04 ppm1 7.342 ppm2 8.128 CV 1 OR { 112} (( segid " " and resid 27 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 115} (( segid " " and resid 30 and name HD22)) (( segid " " and resid 31 and name HN )) 4.300 2.300 1.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.15797E-03 ppm1 7.258 ppm2 7.848 CV 1 OR { 115} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 116} (( segid " " and resid 42 and name HN )) (( segid " " and resid 35 and name HE21)) 4.200 2.200 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.18956E-03 ppm1 7.256 ppm2 7.724 CV 1 OR { 116} (( segid " " and resid 30 and name HD22)) (( segid " " and resid 35 and name HN )) OR { 116} (( segid " " and resid 46 and name HN )) (( segid " " and resid 23 and name HN )) ASSI { 122} (( segid " " and resid 7 and name HE )) (( segid " " and resid 9 and name HN )) 4.400 2.500 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.74339E-04 ppm1 7.173 ppm2 8.308 CV 1 OR { 122} (( segid " " and resid 34 and name HN )) (( segid " " and resid 29 and name HN )) OR { 122} (( segid " " and resid 34 and name HN )) (( segid " " and resid 9 and name HN )) OR { 122} (( segid " " and resid 34 and name HN )) (( segid " " and resid 4 and name HN )) OR { 122} (( segid " " and resid 14 and name HH2 )) (( segid " " and resid 11 and name HN )) ASSI { 128} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 30 and name HN )) 4.800 2.900 1.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.69135E-04 ppm1 7.039 ppm2 8.659 CV 1 OR { 128} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 32 and name HN )) ASSI { 129} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 24 and name HN )) 4.400 2.400 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.82516E-04 ppm1 7.022 ppm2 8.190 CV 1 OR { 129} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 24 and name HN )) OR { 129} ( segid " " and resid 25 and name HD% ) (( segid " " and resid 48 and name HN )) OR { 129} (( segid " " and resid 35 and name HE22)) (( segid " " and resid 41 and name HN )) OR { 129} (( segid " " and resid 14 and name HZ3 )) (( segid " " and resid 49 and name HN )) ASSI { 134} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 34 and name HE21)) 1.800 0.400 0.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.16131E-01 ppm1 6.904 ppm2 7.953 CV 1 OR { 134} (( segid " " and resid 37 and name HE22)) (( segid " " and resid 37 and name HE21)) ASSI { 144} (( segid " " and resid 27 and name HD22)) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.18065E-03 ppm1 6.292 ppm2 8.278 CV 1 OR { 144} (( segid " " and resid 27 and name HD22)) (( segid " " and resid 29 and name HN )) ASSI { 149} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 3.200 1.300 1.300 peak 149 spectrum 1 weight 0.10000E+01 volume 0.91439E-03 ppm1 8.359 ppm2 8.496 CV 1 OR { 149} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HN )) OR { 149} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 153} (( segid " " and resid 27 and name HD21)) (( segid " " and resid 30 and name HN )) 5.000 3.100 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.65418E-04 ppm1 8.114 ppm2 8.667 CV 1 OR { 153} (( segid " " and resid 10 and name HN )) (( segid " " and resid 30 and name HN )) ASSI { 162} (( segid " " and resid 33 and name HN )) (( segid " " and resid 29 and name HN )) 3.900 1.900 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.17692E-03 ppm1 7.949 ppm2 8.308 CV 1 OR { 162} (( segid " " and resid 34 and name HE21)) (( segid " " and resid 4 and name HN )) OR { 162} (( segid " " and resid 37 and name HE21)) (( segid " " and resid 4 and name HN )) ASSI { 171} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 44 and name HN )) 4.700 2.700 1.300 peak 171 spectrum 1 weight 0.10000E+01 volume 0.65418E-04 ppm1 7.682 ppm2 8.453 CV 1 OR { 171} (( segid " " and resid 38 and name HN )) (( segid " " and resid 3 and name HN )) OR { 171} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 22 and name HN )) ASSI { 174} (( segid " " and resid 14 and name HZ2 )) (( segid " " and resid 49 and name HN )) 4.700 2.800 1.300 peak 174 spectrum 1 weight 0.10000E+01 volume 0.83260E-04 ppm1 7.450 ppm2 8.240 CV 1 OR { 174} (( segid " " and resid 30 and name HD21)) (( segid " " and resid 29 and name HN )) ASSI { 177} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HE21)) 3.900 1.900 1.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.22599E-03 ppm1 7.718 ppm2 7.982 CV 1 OR { 177} (( segid " " and resid 35 and name HN )) (( segid " " and resid 33 and name HN )) OR { 177} (( segid " " and resid 35 and name HN )) (( segid " " and resid 37 and name HE21)) ASSI { 187} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 30 and name HD21)) 4.700 2.700 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.51294E-04 ppm1 6.932 ppm2 7.455 CV 1 OR { 187} (( segid " " and resid 37 and name HE22)) (( segid " " and resid 30 and name HD21)) ASSI { 191} ( segid " " and resid 25 and name HE% ) ( segid " " and resid 25 and name HD% ) 2.100 0.500 0.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.60586E-02 ppm1 6.773 ppm2 7.091 CV 1 OR { 191} ( segid " " and resid 15 and name HE% ) ( segid " " and resid 15 and name HD% ) ASSI { 192} ( segid " " and resid 31 and name HD% ) ( segid " " and resid 25 and name HD% ) 2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.14867E-02 ppm1 6.736 ppm2 7.044 CV 1 OR { 192} ( segid " " and resid 31 and name HD% ) (( segid " " and resid 35 and name HE22)) ASSI { 204} (( segid " " and resid 27 and name HA )) ( segid " " and resid 25 and name HD% ) 3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.20704E-03 ppm1 5.454 ppm2 7.087 CV 1 OR { 204} (( segid " " and resid 27 and name HA )) ( segid " " and resid 15 and name HD% ) ASSI { 208} (( segid " " and resid 18 and name HA )) (( segid " " and resid 50 and name HN )) 4.100 2.100 1.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.19142E-03 ppm1 5.213 ppm2 8.378 CV 1 OR { 208} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) ASSI { 215} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HZ3 )) 4.300 2.300 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.16912E-03 ppm1 5.122 ppm2 7.064 CV 1 OR { 215} (( segid " " and resid 14 and name HA )) ( segid " " and resid 15 and name HD% ) ASSI { 218} (( segid " " and resid 38 and name HA )) (( segid " " and resid 34 and name HE22)) 5.100 3.200 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.45347E-04 ppm1 5.028 ppm2 6.885 CV 1 OR { 218} (( segid " " and resid 38 and name HA )) (( segid " " and resid 37 and name HE22)) OR { 218} (( segid " " and resid 39 and name HA )) ( segid " " and resid 31 and name HE% ) ASSI { 225} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 3.900 1.900 1.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.20480E-03 ppm1 4.710 ppm2 8.189 CV 1 OR { 225} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) ASSI { 228} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 25 and name HD% ) 2.900 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.11225E-02 ppm1 4.708 ppm2 7.033 CV 1 OR { 228} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 35 and name HE22)) ASSI { 230} (( segid " " and resid 40 and name HA )) (( segid " " and resid 35 and name HN )) 3.400 1.400 1.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.50922E-03 ppm1 4.685 ppm2 7.728 CV 1 OR { 230} (( segid " " and resid 40 and name HA )) (( segid " " and resid 38 and name HN )) OR { 230} (( segid " " and resid 40 and name HA )) (( segid " " and resid 35 and name HE21)) ASSI { 237} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 3.000 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.95522E-03 ppm1 4.607 ppm2 7.242 CV 1 OR { 237} (( segid " " and resid 7 and name HA )) (( segid " " and resid 30 and name HD22)) ASSI { 239} (( segid " " and resid 11 and name HB )) (( segid " " and resid 13 and name HN )) 3.700 1.700 1.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.37541E-03 ppm1 4.584 ppm2 8.064 CV 1 OR { 239} (( segid " " and resid 11 and name HB )) (( segid " " and resid 10 and name HN )) ASSI { 243} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.65047E-03 ppm1 4.551 ppm2 8.487 CV 1 OR { 243} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) ASSI { 255} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.600 0.900 0.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 4.509 ppm2 8.239 CV 1 OR { 255} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 49 and name HN )) ASSI { 258} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HE3 )) 4.700 2.800 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.79171E-04 ppm1 4.512 ppm2 7.766 CV 1 OR { 258} (( segid " " and resid 21 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 260} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 46 and name HE1 )) 4.800 2.800 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.87349E-04 ppm1 4.498 ppm2 8.726 CV 1 OR { 260} (( segid " " and resid 9 and name HA )) (( segid " " and resid 7 and name HN )) ASSI { 265} (( segid " " and resid 8 and name HA )) (( segid " " and resid 30 and name HD21)) 4.600 2.700 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.96643E-04 ppm1 4.460 ppm2 7.465 CV 1 OR { 265} (( segid " " and resid 9 and name HA )) (( segid " " and resid 30 and name HD21)) ASSI { 276} (( segid " " and resid 50 and name HA )) (( segid " " and resid 46 and name HD2 )) 5.600 3.900 0.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.20295E-04 ppm1 4.386 ppm2 7.217 CV 1 OR { 276} (( segid " " and resid 50 and name HA )) (( segid " " and resid 46 and name HN )) OR { 276} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HD22)) ASSI { 278} (( segid " " and resid 29 and name HA )) (( segid " " and resid 31 and name HN )) 4.200 2.200 1.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.16949E-03 ppm1 4.373 ppm2 7.846 CV 1 OR { 278} (( segid " " and resid 37 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 279} (( segid " " and resid 29 and name HA )) (( segid " " and resid 33 and name HN )) 4.000 2.000 2.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.21150E-03 ppm1 4.369 ppm2 7.972 CV 1 OR { 279} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HE21)) ASSI { 283} (( segid " " and resid 29 and name HA )) (( segid " " and resid 34 and name HN )) 5.600 3.900 0.400 peak 283 spectrum 1 weight 0.10000E+01 volume 0.33006E-04 ppm1 4.354 ppm2 7.195 CV 1 OR { 283} (( segid " " and resid 37 and name HA )) (( segid " " and resid 34 and name HN )) ASSI { 295} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 11 and name HN )) 3.800 3.800 2.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.32263E-03 ppm1 4.306 ppm2 8.291 CV 1 OR { 295} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 29 and name HN )) ASSI { 309} (( segid " " and resid 28 and name HA )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.30739E-03 ppm1 4.214 ppm2 8.667 CV 1 OR { 309} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 315} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HE3 )) 3.300 3.300 2.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.68763E-03 ppm1 4.210 ppm2 7.773 CV 1 OR { 315} (( segid " " and resid 45 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 317} (( segid " " and resid 28 and name HA )) ( segid " " and resid 25 and name HD% ) 3.200 3.200 2.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.76569E-03 ppm1 4.208 ppm2 7.062 CV 1 OR { 317} (( segid " " and resid 13 and name HA )) ( segid " " and resid 15 and name HD% ) OR { 317} (( segid " " and resid 17 and name HA )) ( segid " " and resid 25 and name HD% ) OR { 317} (( segid " " and resid 28 and name HA )) ( segid " " and resid 15 and name HD% ) ASSI { 320} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.13419E-02 ppm1 4.195 ppm2 7.254 CV 1 OR { 320} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 324} (( segid " " and resid 20 and name HA )) (( segid " " and resid 46 and name HN )) 5.900 4.400 0.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.41630E-04 ppm1 4.134 ppm2 7.271 CV 1 OR { 324} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 46 and name HN )) ASSI { 330} (( segid " " and resid 16 and name HA )) (( segid " " and resid 14 and name HH2 )) 5.000 3.100 1.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.59843E-04 ppm1 4.098 ppm2 7.148 CV 1 OR { 330} (( segid " " and resid 24 and name HB )) (( segid " " and resid 14 and name HH2 )) ASSI { 331} (( segid " " and resid 16 and name HA )) ( segid " " and resid 25 and name HD% ) 5.600 3.900 0.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.26614E-04 ppm1 4.097 ppm2 7.067 CV 1 OR { 331} (( segid " " and resid 16 and name HA )) (( segid " " and resid 14 and name HZ3 )) OR { 331} (( segid " " and resid 16 and name HA )) ( segid " " and resid 15 and name HD% ) OR { 331} (( segid " " and resid 24 and name HB )) ( segid " " and resid 25 and name HD% ) ASSI { 336} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HN )) 6.000 6.000 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.32524E-05 ppm1 4.039 ppm2 7.177 CV 1 OR { 336} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 34 and name HN )) ASSI { 339} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.900 1.100 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.11745E-02 ppm1 3.994 ppm2 7.718 CV 1 OR { 339} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 341} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 12 and name HE )) 4.100 2.100 1.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.15314E-03 ppm1 3.995 ppm2 7.263 CV 1 OR { 341} (( segid " " and resid 35 and name HA )) (( segid " " and resid 42 and name HN )) ASSI { 342} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.18436E-03 ppm1 3.994 ppm2 7.180 CV 1 OR { 342} (( segid " " and resid 49 and name HA )) (( segid " " and resid 14 and name HH2 )) ASSI { 344} (( segid " " and resid 6 and name HA1 )) (( segid " " and resid 5 and name HN )) 4.800 2.900 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.73967E-04 ppm1 3.988 ppm2 8.536 CV 1 OR { 344} (( segid " " and resid 6 and name HA1 )) (( segid " " and resid 8 and name HN )) ASSI { 345} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 43 and name HN )) 2.900 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12340E-02 ppm1 3.983 ppm2 8.847 CV 1 OR { 345} (( segid " " and resid 6 and name HA1 )) (( segid " " and resid 6 and name HN )) ASSI { 362} (( segid " " and resid 23 and name HA )) ( segid " " and resid 25 and name HD% ) 3.600 3.600 2.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.36389E-03 ppm1 3.836 ppm2 7.033 CV 1 OR { 362} (( segid " " and resid 23 and name HA )) (( segid " " and resid 35 and name HE22)) ASSI { 369} (( segid " " and resid 43 and name HB )) (( segid " " and resid 31 and name HZ )) 3.800 1.800 1.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.40143E-03 ppm1 4.209 ppm2 6.672 CV 1 OR { 369} (( segid " " and resid 42 and name HA )) (( segid " " and resid 31 and name HZ )) ASSI { 370} (( segid " " and resid 43 and name HB )) ( segid " " and resid 31 and name HE% ) 4.000 2.000 2.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.21037E-03 ppm1 4.205 ppm2 6.907 CV 1 OR { 370} (( segid " " and resid 42 and name HA )) ( segid " " and resid 31 and name HE% ) OR { 370} (( segid " " and resid 28 and name HA )) ( segid " " and resid 31 and name HE% ) ASSI { 371} (( segid " " and resid 35 and name HA )) ( segid " " and resid 31 and name HE% ) 3.500 3.500 2.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.56497E-03 ppm1 4.035 ppm2 6.906 CV 1 OR { 371} (( segid " " and resid 32 and name HB3 )) ( segid " " and resid 31 and name HE% ) OR { 371} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HE22)) OR { 371} (( segid " " and resid 35 and name HA )) (( segid " " and resid 37 and name HE22)) ASSI { 372} (( segid " " and resid 32 and name HB3 )) ( segid " " and resid 31 and name HD% ) 3.700 3.700 2.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.37170E-03 ppm1 4.037 ppm2 6.737 CV 1 OR { 372} (( segid " " and resid 35 and name HA )) ( segid " " and resid 31 and name HD% ) ASSI { 374} (( segid " " and resid 6 and name HA1 )) (( segid " " and resid 34 and name HE22)) 4.000 2.000 2.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.22041E-03 ppm1 3.993 ppm2 6.904 CV 1 OR { 374} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 31 and name HE% ) OR { 374} (( segid " " and resid 35 and name HA )) ( segid " " and resid 31 and name HE% ) ASSI { 397} (( segid " " and resid 3 and name HB3 )) (( segid " " and resid 3 and name HN )) 3.300 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.65418E-03 ppm1 3.477 ppm2 8.505 CV 1 OR { 397} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) ASSI { 402} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 14 and name HZ2 )) 4.500 2.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11969E-03 ppm1 3.397 ppm2 7.455 CV 1 OR { 402} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 30 and name HD21)) ASSI { 407} (( segid " " and resid 48 and name HA2 )) (( segid " " and resid 49 and name HN )) 2.300 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.56126E-02 ppm1 3.390 ppm2 8.246 CV 1 OR { 407} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 29 and name HN )) ASSI { 410} (( segid " " and resid 29 and name HB3 )) (( segid " " and resid 12 and name HE )) 2.900 1.100 1.100 peak 410 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 3.392 ppm2 7.240 CV 1 OR { 410} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 14 and name HD1 )) ASSI { 413} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 30 and name HD22)) 6.000 6.000 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.93665E-05 ppm1 3.321 ppm2 7.246 CV 1 OR { 413} (( segid " " and resid 10 and name HB3 )) (( segid " " and resid 12 and name HE )) ASSI { 423} (( segid " " and resid 31 and name HA )) (( segid " " and resid 26 and name HN )) 4.400 2.500 1.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.71366E-04 ppm1 3.207 ppm2 9.273 CV 1 OR { 423} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 26 and name HN )) ASSI { 425} (( segid " " and resid 31 and name HA )) (( segid " " and resid 35 and name HE22)) 3.300 1.400 1.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.51666E-03 ppm1 3.210 ppm2 7.044 CV 1 OR { 425} (( segid " " and resid 31 and name HA )) ( segid " " and resid 25 and name HD% ) ASSI { 429} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HE )) 2.800 1.000 1.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 3.202 ppm2 7.233 CV 1 OR { 429} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HD1 )) OR { 429} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HD2 )) ASSI { 430} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.81773E-03 ppm1 3.172 ppm2 8.961 CV 1 OR { 430} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HN )) ASSI { 435} (( segid " " and resid 34 and name HG3 )) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.22450E-03 ppm1 3.083 ppm2 7.178 CV 1 OR { 435} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 34 and name HN )) ASSI { 439} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 12 and name HE )) 3.200 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.64675E-03 ppm1 3.048 ppm2 7.244 CV 1 OR { 439} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 14 and name HD1 )) ASSI { 441} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.29401E-02 ppm1 3.045 ppm2 8.845 CV 1 OR { 441} (( segid " " and resid 6 and name HA2 )) (( segid " " and resid 6 and name HN )) ASSI { 446} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 34 and name HN )) 3.800 1.800 1.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.28881E-03 ppm1 3.047 ppm2 7.174 CV 1 OR { 446} (( segid " " and resid 16 and name HD3 )) (( segid " " and resid 14 and name HH2 )) OR { 446} (( segid " " and resid 6 and name HA2 )) (( segid " " and resid 7 and name HE )) OR { 446} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 34 and name HN )) ASSI { 448} (( segid " " and resid 31 and name HB3 )) ( segid " " and resid 31 and name HE% ) 3.100 1.200 1.200 peak 448 spectrum 1 weight 0.10000E+01 volume 0.11857E-02 ppm1 3.043 ppm2 6.890 CV 1 OR { 448} (( segid " " and resid 6 and name HA2 )) (( segid " " and resid 34 and name HE22)) OR { 448} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 34 and name HE22)) ASSI { 449} (( segid " " and resid 4 and name HB3 )) (( segid " " and resid 5 and name HN )) 2.700 2.700 3.300 peak 449 spectrum 1 weight 0.10000E+01 volume 0.28992E-02 ppm1 3.012 ppm2 8.553 CV 1 OR { 449} (( segid " " and resid 6 and name HA2 )) (( segid " " and resid 5 and name HN )) ASSI { 454} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 27 and name HN )) 3.100 3.100 2.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.12898E-02 ppm1 2.993 ppm2 7.341 CV 1 OR { 454} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 27 and name HN )) ASSI { 459} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.19291E-02 ppm1 2.888 ppm2 8.189 CV 1 OR { 459} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 48 and name HN )) ASSI { 462} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 4 and name HN )) 2.900 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.14125E-02 ppm1 2.874 ppm2 8.361 CV 1 OR { 462} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 17 and name HN )) ASSI { 466} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 34 and name HE22)) 3.700 1.700 1.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.32857E-03 ppm1 2.865 ppm2 6.888 CV 1 OR { 466} (( segid " " and resid 25 and name HB3 )) ( segid " " and resid 31 and name HE% ) ASSI { 467} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 34 and name HE21)) 3.000 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.85115E-03 ppm1 2.863 ppm2 7.983 CV 1 OR { 467} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 37 and name HE21)) ASSI { 471} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.900 1.900 1.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.23565E-03 ppm1 2.821 ppm2 8.360 CV 1 OR { 471} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 9 and name HN )) ASSI { 472} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.28397E-02 ppm1 2.813 ppm2 9.305 CV 1 OR { 472} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) ASSI { 475} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 11 and name HN )) 4.700 2.800 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.98131E-04 ppm1 2.805 ppm2 8.281 CV 1 OR { 475} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 29 and name HN )) OR { 475} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 479} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HD22)) 2.900 1.000 1.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.15091E-02 ppm1 2.806 ppm2 7.249 CV 1 OR { 479} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 42 and name HN )) ASSI { 505} (( segid " " and resid 40 and name HD2 )) (( segid " " and resid 39 and name HN )) 3.700 1.800 1.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.38285E-03 ppm1 3.587 ppm2 7.826 CV 1 OR { 505} (( segid " " and resid 34 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 515} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 27 and name HD22)) 4.000 2.100 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.19774E-03 ppm1 2.803 ppm2 6.291 CV 1 OR { 515} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 27 and name HD22)) ASSI { 520} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 38 and name HN )) 2.000 2.000 4.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.17470E-01 ppm1 2.456 ppm2 7.712 CV 1 OR { 520} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 35 and name HN )) OR { 520} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 522} (( segid " " and resid 36 and name HG3 )) (( segid " " and resid 37 and name HE22)) 3.300 3.300 2.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.85492E-03 ppm1 2.455 ppm2 6.905 CV 1 OR { 522} (( segid " " and resid 39 and name HB2 )) ( segid " " and resid 31 and name HE% ) ASSI { 545} (( segid " " and resid 23 and name HB )) ( segid " " and resid 25 and name HD% ) 3.000 3.000 3.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.76197E-03 ppm1 2.224 ppm2 7.082 CV 1 OR { 545} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 14 and name HZ3 )) ASSI { 546} (( segid " " and resid 23 and name HB )) ( segid " " and resid 31 and name HD% ) 3.800 1.800 1.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.21521E-03 ppm1 2.222 ppm2 6.770 CV 1 OR { 546} (( segid " " and resid 23 and name HB )) ( segid " " and resid 25 and name HE% ) ASSI { 549} (( segid " " and resid 23 and name HB )) (( segid " " and resid 35 and name HE22)) 2.300 2.300 3.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.39771E-02 ppm1 2.216 ppm2 7.053 CV 1 OR { 549} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name HE22)) ASSI { 552} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 30 and name HD21)) 4.400 2.400 1.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.11039E-03 ppm1 2.192 ppm2 7.450 CV 1 OR { 552} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 14 and name HZ2 )) ASSI { 555} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 43 and name HN )) 3.000 3.000 3.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.15425E-02 ppm1 2.174 ppm2 8.844 CV 1 OR { 555} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 21 and name HN )) OR { 555} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 6 and name HN )) ASSI { 556} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HE21)) 4.000 2.000 2.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.26911E-03 ppm1 2.178 ppm2 7.982 CV 1 OR { 556} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 33 and name HN )) ASSI { 562} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HE21)) 2.500 0.800 0.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.26947E-02 ppm1 2.150 ppm2 7.723 CV 1 OR { 562} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name HN )) ASSI { 563} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 30 and name HD22)) 4.000 2.000 2.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.25759E-03 ppm1 2.147 ppm2 7.263 CV 1 OR { 563} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 42 and name HN )) ASSI { 564} (( segid " " and resid 35 and name HG3 )) ( segid " " and resid 31 and name HE% ) 4.600 2.700 1.400 peak 564 spectrum 1 weight 0.10000E+01 volume 0.10705E-03 ppm1 2.152 ppm2 6.901 CV 1 OR { 564} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HE22)) ASSI { 571} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HN )) 3.100 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.89582E-03 ppm1 2.060 ppm2 7.649 CV 1 OR { 571} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 37 and name HN )) ASSI { 574} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HN )) 4.100 2.100 1.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.30256E-03 ppm1 2.045 ppm2 7.178 CV 1 OR { 574} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 34 and name HN )) ASSI { 575} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HE21)) 2.800 1.000 1.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.15240E-02 ppm1 2.035 ppm2 7.985 CV 1 OR { 575} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HE21)) ASSI { 576} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 39 and name HN )) 4.000 2.000 2.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.25424E-03 ppm1 2.026 ppm2 7.829 CV 1 OR { 576} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 39 and name HN )) OR { 576} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 39 and name HN )) OR { 576} (( segid " " and resid 36 and name HB3 )) (( segid " " and resid 39 and name HN )) ASSI { 577} (( segid " " and resid 35 and name HG2 )) ( segid " " and resid 31 and name HE% ) 2.300 2.300 3.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.56870E-02 ppm1 2.026 ppm2 6.888 CV 1 OR { 577} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HE22)) ASSI { 578} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 32 and name HN )) 4.300 2.300 1.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.96643E-04 ppm1 2.012 ppm2 8.662 CV 1 OR { 578} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 32 and name HN )) OR { 578} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 30 and name HN )) ASSI { 579} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 48 and name HN )) 2.900 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.16540E-02 ppm1 2.013 ppm2 8.165 CV 1 OR { 579} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HN )) ASSI { 582} (( segid " " and resid 35 and name HG2 )) ( segid " " and resid 31 and name HD% ) 3.300 1.300 1.300 peak 582 spectrum 1 weight 0.10000E+01 volume 0.47577E-03 ppm1 2.005 ppm2 6.771 CV 1 OR { 582} (( segid " " and resid 13 and name HB3 )) ( segid " " and resid 15 and name HE% ) ASSI { 584} (( segid " " and resid 13 and name HB3 )) (( segid " " and resid 14 and name HN )) 2.600 2.600 3.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.32524E-02 ppm1 1.999 ppm2 8.839 CV 1 OR { 584} (( segid " " and resid 5 and name HB )) (( segid " " and resid 6 and name HN )) ASSI { 585} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 14 and name HZ2 )) 5.300 3.500 0.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.46462E-04 ppm1 1.999 ppm2 7.453 CV 1 OR { 585} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HD22)) ASSI { 589} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.300 1.400 1.400 peak 589 spectrum 1 weight 0.10000E+01 volume 0.10370E-02 ppm1 1.983 ppm2 8.236 CV 1 OR { 589} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HN )) ASSI { 591} (( segid " " and resid 5 and name HB )) (( segid " " and resid 34 and name HE21)) 3.700 1.700 1.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.37170E-03 ppm1 1.960 ppm2 7.959 CV 1 OR { 591} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HE21)) ASSI { 597} (( segid " " and resid 42 and name HB )) ( segid " " and resid 31 and name HE% ) 3.300 1.400 1.400 peak 597 spectrum 1 weight 0.10000E+01 volume 0.62073E-03 ppm1 1.953 ppm2 6.903 CV 1 OR { 597} (( segid " " and resid 5 and name HB )) (( segid " " and resid 34 and name HE22)) ASSI { 601} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 42 and name HN )) 4.800 2.900 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.62073E-04 ppm1 1.883 ppm2 7.265 CV 1 OR { 601} (( segid " " and resid 40 and name HG3 )) (( segid " " and resid 42 and name HN )) ASSI { 604} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 39 and name HN )) 4.700 2.800 1.300 peak 604 spectrum 1 weight 0.10000E+01 volume 0.96266E-04 ppm1 1.874 ppm2 7.834 CV 1 OR { 604} (( segid " " and resid 40 and name HG3 )) (( segid " " and resid 39 and name HN )) ASSI { 608} ( segid " " and resid 47 and name HE% ) (( segid " " and resid 48 and name HN )) 3.600 1.600 1.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.41630E-03 ppm1 1.845 ppm2 8.169 CV 1 OR { 608} (( segid " " and resid 40 and name HG3 )) (( segid " " and resid 41 and name HN )) ASSI { 621} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 8 and name HN )) 3.600 1.600 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.53524E-03 ppm1 1.741 ppm2 8.515 CV 1 OR { 621} (( segid " " and resid 8 and name HD3 )) (( segid " " and resid 8 and name HN )) ASSI { 622} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 34 and name HE21)) 4.200 2.200 1.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15611E-03 ppm1 1.736 ppm2 7.945 CV 1 OR { 622} (( segid " " and resid 8 and name HD3 )) (( segid " " and resid 34 and name HE21)) ASSI { 623} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 34 and name HE22)) 3.900 1.900 1.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.23454E-03 ppm1 1.737 ppm2 6.907 CV 1 OR { 623} (( segid " " and resid 8 and name HD3 )) (( segid " " and resid 34 and name HE22)) ASSI { 624} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 25 and name HD% ) 3.600 3.600 2.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.26539E-03 ppm1 1.672 ppm2 7.085 CV 1 OR { 624} (( segid " " and resid 42 and name HG13)) ( segid " " and resid 25 and name HD% ) OR { 624} (( segid " " and resid 12 and name HG3 )) ( segid " " and resid 15 and name HD% ) ASSI { 626} (( segid " " and resid 42 and name HG13)) ( segid " " and resid 31 and name HD% ) 3.700 1.800 1.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.20146E-03 ppm1 1.645 ppm2 6.743 CV 1 OR { 626} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 31 and name HD% ) OR { 626} (( segid " " and resid 42 and name HG13)) ( segid " " and resid 25 and name HE% ) ASSI { 630} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 31 and name HN )) 4.500 2.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.79171E-04 ppm1 1.643 ppm2 7.831 CV 1 OR { 630} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 39 and name HN )) OR { 630} (( segid " " and resid 42 and name HG13)) (( segid " " and resid 39 and name HN )) ASSI { 631} (( segid " " and resid 42 and name HG13)) (( segid " " and resid 42 and name HN )) 3.000 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 1.644 ppm2 7.261 CV 1 OR { 631} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 30 and name HD22)) ASSI { 632} (( segid " " and resid 42 and name HG13)) ( segid " " and resid 31 and name HE% ) 2.800 1.000 1.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.11560E-02 ppm1 1.639 ppm2 6.903 CV 1 OR { 632} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HE22)) ASSI { 634} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.900 1.000 1.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.11745E-02 ppm1 1.634 ppm2 7.719 CV 1 OR { 634} (( segid " " and resid 42 and name HG13)) (( segid " " and resid 35 and name HE21)) ASSI { 635} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.900 1.100 1.100 peak 635 spectrum 1 weight 0.10000E+01 volume 0.12155E-02 ppm1 1.633 ppm2 7.176 CV 1 OR { 635} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HE )) ASSI { 638} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 34 and name HE21)) 3.000 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 1.585 ppm2 7.973 CV 1 OR { 638} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 37 and name HE21)) OR { 638} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 34 and name HE21)) OR { 638} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 33 and name HN )) ASSI { 639} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HE )) 4.400 2.400 1.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10965E-03 ppm1 1.565 ppm2 7.228 CV 1 OR { 639} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 30 and name HD22)) ASSI { 643} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 45 and name HN )) 4.100 2.100 1.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.25052E-03 ppm1 1.423 ppm2 9.196 CV 1 OR { 643} (( segid " " and resid 44 and name HB )) (( segid " " and resid 45 and name HN )) ASSI { 645} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 48 and name HN )) 5.600 4.000 0.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.36091E-04 ppm1 1.418 ppm2 8.165 CV 1 OR { 645} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 48 and name HN )) OR { 645} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 651} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.300 1.400 1.400 peak 651 spectrum 1 weight 0.10000E+01 volume 0.12564E-02 ppm1 1.388 ppm2 7.242 CV 1 OR { 651} (( segid " " and resid 16 and name HG3 )) (( segid " " and resid 14 and name HD1 )) ASSI { 659} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 14 and name HZ3 )) 4.700 2.800 1.300 peak 659 spectrum 1 weight 0.10000E+01 volume 0.10259E-03 ppm1 1.329 ppm2 7.059 CV 1 OR { 659} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 35 and name HE22)) ASSI { 661} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 43 and name HN )) 2.900 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.18325E-02 ppm1 1.320 ppm2 8.844 CV 1 OR { 661} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 21 and name HN )) ASSI { 662} (( segid " " and resid 8 and name HG3 )) (( segid " " and resid 7 and name HN )) 3.200 3.200 2.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.51294E-03 ppm1 1.319 ppm2 8.772 CV 1 OR { 662} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 7 and name HN )) OR { 662} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 7 and name HN )) ASSI { 663} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 32 and name HN )) 3.700 1.800 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.32189E-03 ppm1 1.320 ppm2 8.665 CV 1 OR { 663} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 30 and name HN )) ASSI { 664} (( segid " " and resid 8 and name HG3 )) (( segid " " and resid 8 and name HN )) 3.300 1.400 1.400 peak 664 spectrum 1 weight 0.10000E+01 volume 0.77312E-03 ppm1 1.323 ppm2 8.514 CV 1 OR { 664} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 8 and name HN )) ASSI { 665} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 31 and name HN )) 4.900 3.000 1.100 peak 665 spectrum 1 weight 0.10000E+01 volume 0.52409E-04 ppm1 1.322 ppm2 7.846 CV 1 OR { 665} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 39 and name HN )) ASSI { 666} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 35 and name HE21)) 4.000 2.000 2.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.27914E-03 ppm1 1.319 ppm2 7.719 CV 1 OR { 666} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 35 and name HN )) ASSI { 669} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 37 and name HE22)) 2.900 1.100 1.100 peak 669 spectrum 1 weight 0.10000E+01 volume 0.14719E-02 ppm1 1.323 ppm2 6.905 CV 1 OR { 669} (( segid " " and resid 42 and name HG12)) ( segid " " and resid 31 and name HE% ) ASSI { 670} (( segid " " and resid 42 and name HG12)) ( segid " " and resid 31 and name HD% ) 6.000 4.600 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.11671E-04 ppm1 1.321 ppm2 6.736 CV 1 OR { 670} ( segid " " and resid 33 and name HB% ) ( segid " " and resid 31 and name HD% ) ASSI { 678} ( segid " " and resid 45 and name HB% ) ( segid " " and resid 25 and name HD% ) 3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.15909E-03 ppm1 1.174 ppm2 7.063 CV 1 OR { 678} ( segid " " and resid 45 and name HB% ) (( segid " " and resid 35 and name HE22)) OR { 678} ( segid " " and resid 43 and name HG2%) ( segid " " and resid 25 and name HD% ) ASSI { 679} ( segid " " and resid 43 and name HG2%) ( segid " " and resid 31 and name HE% ) 4.500 2.500 1.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.85115E-04 ppm1 1.171 ppm2 6.904 CV 1 OR { 679} ( segid " " and resid 45 and name HB% ) ( segid " " and resid 31 and name HE% ) ASSI { 692} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 14 and name HZ2 )) 3.600 1.600 1.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.44232E-03 ppm1 1.093 ppm2 7.451 CV 1 OR { 692} (( segid " " and resid 16 and name HD2 )) (( segid " " and resid 14 and name HZ2 )) ASSI { 695} (( segid " " and resid 16 and name HD2 )) ( segid " " and resid 15 and name HD% ) 3.500 1.500 1.500 peak 695 spectrum 1 weight 0.10000E+01 volume 0.50551E-03 ppm1 1.090 ppm2 7.060 CV 1 OR { 695} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HE22)) OR { 695} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 14 and name HZ3 )) ASSI { 717} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 21 and name HN )) 2.600 0.800 0.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.33267E-02 ppm1 0.911 ppm2 8.835 CV 1 OR { 717} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 43 and name HN )) ASSI { 728} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 14 and name HZ3 )) 4.600 2.600 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.11262E-03 ppm1 0.753 ppm2 7.060 CV 1 OR { 728} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 25 and name HD% ) OR { 728} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 15 and name HD% ) ASSI { 732} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 21 and name HN )) 4.600 2.600 1.400 peak 732 spectrum 1 weight 0.10000E+01 volume 0.82516E-04 ppm1 0.711 ppm2 8.816 CV 1 OR { 732} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 6 and name HN )) ASSI { 736} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 35 and name HE22)) 4.500 2.500 1.500 peak 736 spectrum 1 weight 0.10000E+01 volume 0.80286E-04 ppm1 0.714 ppm2 7.045 CV 1 OR { 736} ( segid " " and resid 23 and name HG1%) ( segid " " and resid 25 and name HD% ) ASSI { 741} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 19 and name HN )) 3.200 1.300 1.300 peak 741 spectrum 1 weight 0.10000E+01 volume 0.80658E-03 ppm1 0.627 ppm2 9.681 CV 1 OR { 741} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 19 and name HN )) ASSI { 742} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 742 spectrum 1 weight 0.10000E+01 volume 0.84747E-03 ppm1 0.624 ppm2 9.198 CV 1 OR { 742} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 45 and name HN )) ASSI { 743} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 21 and name HN )) 3.500 1.500 1.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.44232E-03 ppm1 0.623 ppm2 8.826 CV 1 OR { 743} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 43 and name HN )) ASSI { 745} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 34 and name HE21)) 3.800 3.800 2.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.16986E-03 ppm1 0.622 ppm2 7.982 CV 1 OR { 745} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 33 and name HN )) OR { 745} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 37 and name HE21)) OR { 745} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 33 and name HN )) ASSI { 746} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 39 and name HN )) 2.300 2.300 3.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.39400E-02 ppm1 0.622 ppm2 7.844 CV 1 OR { 746} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 31 and name HN )) ASSI { 748} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 42 and name HN )) 3.800 1.800 1.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.36091E-03 ppm1 0.624 ppm2 7.257 CV 1 OR { 748} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 46 and name HN )) ASSI { 749} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 34 and name HN )) 4.700 2.800 1.300 peak 749 spectrum 1 weight 0.10000E+01 volume 0.67277E-04 ppm1 0.625 ppm2 7.178 CV 1 OR { 749} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 46 and name HD2 )) OR { 749} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 46 and name HD2 )) OR { 749} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 14 and name HH2 )) OR { 749} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 14 and name HH2 )) ASSI { 750} ( segid " " and resid 42 and name HD1%) (( segid " " and resid 35 and name HE22)) 2.200 0.600 0.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.74339E-02 ppm1 0.620 ppm2 7.048 CV 1 OR { 750} ( segid " " and resid 17 and name HG2%) ( segid " " and resid 25 and name HD% ) ASSI { 752} ( segid " " and resid 42 and name HD1%) ( segid " " and resid 31 and name HD% ) 2.500 2.500 3.500 peak 752 spectrum 1 weight 0.10000E+01 volume 0.20777E-02 ppm1 0.622 ppm2 6.738 CV 1 OR { 752} ( segid " " and resid 17 and name HG2%) ( segid " " and resid 31 and name HD% ) ASSI { 757} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 32 and name HN )) 4.400 2.400 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.13344E-03 ppm1 0.587 ppm2 8.667 CV 1 OR { 757} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 30 and name HN )) ASSI { 788} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 35 and name HE22)) 3.300 1.300 1.300 peak 788 spectrum 1 weight 0.10000E+01 volume 0.46090E-03 ppm1 0.164 ppm2 7.043 CV 1 OR { 788} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 25 and name HD% ) ASSI { 793} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HB3 )) 3.000 3.000 3.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.13419E-02 ppm1 5.456 ppm2 3.058 CV 1 OR { 793} (( segid " " and resid 27 and name HA )) (( segid " " and resid 29 and name HB2 )) ASSI { 800} (( segid " " and resid 18 and name HA )) (( segid " " and resid 23 and name HB )) 5.300 3.600 0.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.43488E-04 ppm1 5.211 ppm2 2.216 CV 1 OR { 800} (( segid " " and resid 18 and name HA )) (( segid " " and resid 49 and name HB3 )) ASSI { 816} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name HD1%) 4.100 2.100 1.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11782E-03 ppm1 4.804 ppm2 0.602 CV 1 OR { 816} (( segid " " and resid 43 and name HA )) ( segid " " and resid 17 and name HG2%) ASSI { 825} (( segid " " and resid 24 and name HA )) (( segid " " and resid 49 and name HB3 )) 4.200 2.200 1.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.17098E-03 ppm1 4.779 ppm2 2.207 CV 1 OR { 825} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HB )) ASSI { 830} (( segid " " and resid 2 and name HA )) (( segid " " and resid 38 and name HB3 )) 3.900 1.900 1.900 peak 830 spectrum 1 weight 0.10000E+01 volume 0.21967E-03 ppm1 4.772 ppm2 3.067 CV 1 OR { 830} (( segid " " and resid 24 and name HA )) (( segid " " and resid 30 and name HB3 )) OR { 830} (( segid " " and resid 24 and name HA )) (( segid " " and resid 21 and name HB3 )) ASSI { 836} (( segid " " and resid 2 and name HA )) (( segid " " and resid 38 and name HB3 )) 3.400 3.400 2.600 peak 836 spectrum 1 weight 0.10000E+01 volume 0.52037E-03 ppm1 4.766 ppm2 3.054 CV 1 OR { 836} (( segid " " and resid 24 and name HA )) (( segid " " and resid 30 and name HB3 )) ASSI { 838} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 21 and name HB3 )) 4.600 2.600 1.400 peak 838 spectrum 1 weight 0.10000E+01 volume 0.81030E-04 ppm1 4.759 ppm2 3.013 CV 1 OR { 838} (( segid " " and resid 2 and name HA )) (( segid " " and resid 4 and name HB3 )) OR { 838} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 31 and name HB3 )) ASSI { 841} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 31 and name HA )) 2.800 2.800 3.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 4.722 ppm2 3.217 CV 1 OR { 841} (( segid " " and resid 24 and name HA )) (( segid " " and resid 31 and name HA )) ASSI { 843} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 23 and name HB )) 4.200 2.200 1.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.13492E-03 ppm1 4.715 ppm2 2.232 CV 1 OR { 843} (( segid " " and resid 24 and name HA )) (( segid " " and resid 49 and name HB3 )) ASSI { 848} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 42 and name HG2%) 4.600 2.700 1.400 peak 848 spectrum 1 weight 0.10000E+01 volume 0.95522E-04 ppm1 4.692 ppm2 0.911 CV 1 OR { 848} (( segid " " and resid 41 and name HA )) ( segid " " and resid 42 and name HG2%) OR { 848} (( segid " " and resid 40 and name HA )) ( segid " " and resid 42 and name HG2%) ASSI { 852} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HD2 )) 4.200 2.200 1.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.16057E-03 ppm1 4.682 ppm2 3.588 CV 1 OR { 852} (( segid " " and resid 41 and name HA )) (( segid " " and resid 40 and name HD2 )) ASSI { 856} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HG3 )) 2.900 1.100 1.100 peak 856 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 4.683 ppm2 1.878 CV 1 OR { 856} (( segid " " and resid 40 and name HA )) (( segid " " and resid 35 and name HB3 )) ASSI { 865} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB )) 2.500 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.31185E-02 ppm1 4.621 ppm2 2.024 CV 1 OR { 865} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) ASSI { 869} (( segid " " and resid 46 and name HA )) (( segid " " and resid 18 and name HB2 )) 4.300 2.300 1.700 peak 869 spectrum 1 weight 0.10000E+01 volume 0.12898E-03 ppm1 4.617 ppm2 1.406 CV 1 OR { 869} (( segid " " and resid 47 and name HA )) (( segid " " and resid 18 and name HB2 )) OR { 869} (( segid " " and resid 46 and name HA )) (( segid " " and resid 44 and name HB )) OR { 869} (( segid " " and resid 47 and name HA )) (( segid " " and resid 16 and name HG3 )) ASSI { 876} (( segid " " and resid 25 and name HA )) (( segid " " and resid 23 and name HB )) 5.100 3.300 0.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.29066E-04 ppm1 4.583 ppm2 2.224 CV 1 OR { 876} (( segid " " and resid 25 and name HA )) (( segid " " and resid 49 and name HB3 )) OR { 876} (( segid " " and resid 5 and name HA )) (( segid " " and resid 23 and name HB )) ASSI { 877} (( segid " " and resid 5 and name HA )) (( segid " " and resid 34 and name HB3 )) 3.100 3.100 2.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.86236E-03 ppm1 4.583 ppm2 2.178 CV 1 OR { 877} (( segid " " and resid 25 and name HA )) (( segid " " and resid 34 and name HB3 )) OR { 877} (( segid " " and resid 25 and name HA )) (( segid " " and resid 49 and name HB3 )) OR { 877} (( segid " " and resid 25 and name HA )) (( segid " " and resid 35 and name HG3 )) ASSI { 878} (( segid " " and resid 11 and name HB )) (( segid " " and resid 12 and name HG3 )) 4.500 2.500 1.500 peak 878 spectrum 1 weight 0.10000E+01 volume 0.11039E-03 ppm1 4.584 ppm2 1.693 CV 1 OR { 878} (( segid " " and resid 25 and name HA )) (( segid " " and resid 34 and name HB2 )) OR { 878} (( segid " " and resid 5 and name HA )) (( segid " " and resid 34 and name HB2 )) OR { 878} (( segid " " and resid 4 and name HA )) (( segid " " and resid 34 and name HB2 )) ASSI { 881} (( segid " " and resid 25 and name HA )) ( segid " " and resid 17 and name HG2%) 5.700 4.100 0.300 peak 881 spectrum 1 weight 0.10000E+01 volume 0.27691E-04 ppm1 4.581 ppm2 0.588 CV 1 OR { 881} (( segid " " and resid 46 and name HA )) ( segid " " and resid 17 and name HG2%) ASSI { 884} (( segid " " and resid 25 and name HA )) ( segid " " and resid 23 and name HG2%) 3.600 1.700 1.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.21632E-03 ppm1 4.579 ppm2 0.166 CV 1 OR { 884} (( segid " " and resid 5 and name HA )) ( segid " " and resid 23 and name HG2%) ASSI { 889} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.100 2.100 1.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.23862E-03 ppm1 4.527 ppm2 2.584 CV 1 OR { 889} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 50 and name HB2 )) ASSI { 891} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HG3 )) 3.700 1.800 1.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.51666E-03 ppm1 4.523 ppm2 1.420 CV 1 OR { 891} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 16 and name HG3 )) ASSI { 892} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HB3 )) 2.000 2.000 4.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.24420E-01 ppm1 4.523 ppm2 0.964 CV 1 OR { 892} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 16 and name HB3 )) ASSI { 893} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HA )) 4.600 2.700 1.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.75082E-04 ppm1 4.518 ppm2 3.215 CV 1 OR { 893} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HB2 )) ASSI { 895} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 18 and name HB3 )) 4.700 2.800 1.300 peak 895 spectrum 1 weight 0.10000E+01 volume 0.85492E-04 ppm1 4.513 ppm2 2.386 CV 1 OR { 895} (( segid " " and resid 21 and name HA )) (( segid " " and resid 18 and name HB3 )) ASSI { 896} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 49 and name HB2 )) 6.000 4.600 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.24829E-04 ppm1 4.518 ppm2 1.991 CV 1 OR { 896} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HB3 )) OR { 896} (( segid " " and resid 3 and name HA )) (( segid " " and resid 5 and name HB )) ASSI { 897} (( segid " " and resid 30 and name HA )) (( segid " " and resid 8 and name HD3 )) 3.600 3.600 2.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.25350E-03 ppm1 4.514 ppm2 1.744 CV 1 OR { 897} (( segid " " and resid 48 and name HA1 )) (( segid " " and resid 17 and name HB )) OR { 897} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HB )) ASSI { 900} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.700 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 4.511 ppm2 2.802 CV 1 OR { 900} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) ASSI { 903} (( segid " " and resid 30 and name HA )) (( segid " " and resid 8 and name HB3 )) 4.900 3.000 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.53152E-04 ppm1 4.497 ppm2 1.570 CV 1 OR { 903} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HB3 )) ASSI { 905} (( segid " " and resid 11 and name HA )) (( segid " " and resid 27 and name HB3 )) 3.900 1.900 1.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.25721E-03 ppm1 4.480 ppm2 3.564 CV 1 OR { 905} (( segid " " and resid 30 and name HA )) (( segid " " and resid 34 and name HA )) ASSI { 906} (( segid " " and resid 11 and name HA )) (( segid " " and resid 27 and name HB2 )) 3.300 3.300 2.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.88461E-03 ppm1 4.480 ppm2 3.154 CV 1 OR { 906} (( segid " " and resid 12 and name HA )) (( segid " " and resid 27 and name HB2 )) ASSI { 907} (( segid " " and resid 21 and name HA )) ( segid " " and resid 42 and name HD1%) 3.400 1.500 1.500 peak 907 spectrum 1 weight 0.10000E+01 volume 0.43116E-03 ppm1 4.480 ppm2 0.626 CV 1 OR { 907} (( segid " " and resid 48 and name HA1 )) ( segid " " and resid 17 and name HG1%) ASSI { 912} (( segid " " and resid 9 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.35906E-03 ppm1 4.454 ppm2 2.804 CV 1 OR { 912} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 913} (( segid " " and resid 8 and name HA )) (( segid " " and resid 34 and name HB3 )) 2.700 2.700 3.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.31520E-02 ppm1 4.455 ppm2 2.167 CV 1 OR { 913} (( segid " " and resid 9 and name HA )) (( segid " " and resid 34 and name HB3 )) ASSI { 938} (( segid " " and resid 10 and name HA )) ( segid " " and resid 9 and name HB% ) 3.300 1.400 1.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.50179E-03 ppm1 5.061 ppm2 1.335 CV 1 OR { 938} (( segid " " and resid 10 and name HA )) ( segid " " and resid 11 and name HG2%) OR { 938} (( segid " " and resid 39 and name HA )) (( segid " " and resid 42 and name HG12)) ASSI { 939} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB3 )) 2.500 0.800 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.29921E-02 ppm1 5.044 ppm2 2.813 CV 1 OR { 939} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 943} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HB2 )) 4.300 2.400 1.700 peak 943 spectrum 1 weight 0.10000E+01 volume 0.16057E-03 ppm1 5.036 ppm2 1.998 CV 1 OR { 943} (( segid " " and resid 38 and name HA )) (( segid " " and resid 40 and name HB2 )) OR { 943} (( segid " " and resid 38 and name HA )) (( segid " " and resid 5 and name HB )) OR { 943} (( segid " " and resid 39 and name HA )) (( segid " " and resid 35 and name HG2 )) ASSI { 944} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HG3 )) 4.300 2.300 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.23194E-03 ppm1 5.036 ppm2 1.894 CV 1 OR { 944} (( segid " " and resid 39 and name HA )) (( segid " " and resid 35 and name HB3 )) ASSI { 957} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.700 2.700 3.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.13195E-02 ppm1 4.363 ppm2 1.959 CV 1 OR { 957} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HB2 )) ASSI { 958} (( segid " " and resid 29 and name HA )) (( segid " " and resid 10 and name HB2 )) 4.400 2.400 1.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.14607E-03 ppm1 4.357 ppm2 2.796 CV 1 OR { 958} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HB2 )) ASSI { 978} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HB2 )) 4.000 2.000 2.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.20071E-03 ppm1 4.217 ppm2 1.425 CV 1 OR { 978} (( segid " " and resid 43 and name HB )) (( segid " " and resid 44 and name HB )) OR { 978} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HB )) ASSI { 979} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HB2 )) 5.700 4.000 0.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.31594E-04 ppm1 4.214 ppm2 3.212 CV 1 OR { 979} (( segid " " and resid 28 and name HA )) (( segid " " and resid 31 and name HA )) ASSI { 982} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HB3 )) 6.000 6.000 0.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.62073E-05 ppm1 4.205 ppm2 2.330 CV 1 OR { 982} (( segid " " and resid 45 and name HA )) (( segid " " and resid 18 and name HB3 )) ASSI { 984} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HB% ) 2.100 0.600 0.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.73596E-02 ppm1 4.205 ppm2 1.168 CV 1 OR { 984} (( segid " " and resid 43 and name HB )) ( segid " " and resid 43 and name HG2%) ASSI { 986} (( segid " " and resid 43 and name HB )) (( segid " " and resid 44 and name HG12)) 4.300 2.300 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.15500E-03 ppm1 4.203 ppm2 -0.603 CV 1 OR { 986} (( segid " " and resid 17 and name HA )) (( segid " " and resid 44 and name HG12)) OR { 986} (( segid " " and resid 28 and name HA )) (( segid " " and resid 44 and name HG12)) ASSI { 988} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HG2%) 3.300 1.400 1.400 peak 988 spectrum 1 weight 0.10000E+01 volume 0.70993E-03 ppm1 4.200 ppm2 0.350 CV 1 OR { 988} (( segid " " and resid 17 and name HA )) ( segid " " and resid 44 and name HG2%) OR { 988} (( segid " " and resid 43 and name HB )) ( segid " " and resid 44 and name HD1%) ASSI { 989} (( segid " " and resid 17 and name HA )) (( segid " " and resid 25 and name HB2 )) 5.100 3.200 0.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.58356E-04 ppm1 4.190 ppm2 2.813 CV 1 OR { 989} (( segid " " and resid 28 and name HA )) (( segid " " and resid 25 and name HB2 )) OR { 989} (( segid " " and resid 28 and name HA )) (( segid " " and resid 15 and name HB2 )) OR { 989} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HB2 )) OR { 989} (( segid " " and resid 42 and name HA )) (( segid " " and resid 39 and name HB3 )) ASSI { 990} (( segid " " and resid 42 and name HA )) (( segid " " and resid 35 and name HG3 )) 5.200 3.300 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.50179E-04 ppm1 4.189 ppm2 2.159 CV 1 OR { 990} (( segid " " and resid 28 and name HA )) (( segid " " and resid 34 and name HB3 )) ASSI { 996} (( segid " " and resid 17 and name HA )) (( segid " " and resid 47 and name HB2 )) 4.400 2.400 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.15389E-03 ppm1 4.171 ppm2 2.074 CV 1 OR { 996} (( segid " " and resid 1 and name HA )) (( segid " " and resid 37 and name HB3 )) ASSI { 1002} (( segid " " and resid 24 and name HB )) ( segid " " and resid 23 and name HG1%) 5.500 3.800 0.500 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.27914E-04 ppm1 4.142 ppm2 0.720 CV 1 OR { 1002} (( segid " " and resid 22 and name HA1 )) ( segid " " and resid 23 and name HG1%) ASSI { 1008} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 18 and name HB3 )) 3.600 1.600 1.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.50922E-03 ppm1 4.133 ppm2 2.352 CV 1 OR { 1008} (( segid " " and resid 20 and name HA )) (( segid " " and resid 18 and name HB3 )) ASSI { 1015} (( segid " " and resid 1 and name HA )) (( segid " " and resid 37 and name HB3 )) 4.200 2.200 1.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.15351E-03 ppm1 4.134 ppm2 2.030 CV 1 OR { 1015} (( segid " " and resid 20 and name HA )) (( segid " " and resid 35 and name HG2 )) ASSI { 1019} (( segid " " and resid 24 and name HB )) (( segid " " and resid 7 and name HB2 )) 4.300 2.300 1.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.85492E-04 ppm1 4.134 ppm2 1.792 CV 1 OR { 1019} (( segid " " and resid 24 and name HB )) (( segid " " and resid 7 and name HB3 )) OR { 1019} (( segid " " and resid 20 and name HA )) (( segid " " and resid 17 and name HB )) ASSI { 1024} (( segid " " and resid 24 and name HB )) (( segid " " and resid 50 and name HB2 )) 3.700 1.700 1.700 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.33230E-03 ppm1 4.117 ppm2 2.578 CV 1 OR { 1024} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 50 and name HB2 )) ASSI { 1027} (( segid " " and resid 20 and name HA )) (( segid " " and resid 42 and name HG12)) 5.400 3.600 0.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.36537E-04 ppm1 4.115 ppm2 1.323 CV 1 OR { 1027} (( segid " " and resid 16 and name HA )) ( segid " " and resid 11 and name HG2%) OR { 1027} (( segid " " and resid 24 and name HB )) ( segid " " and resid 9 and name HB% ) OR { 1027} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 42 and name HG12)) OR { 1027} (( segid " " and resid 1 and name HA )) ( segid " " and resid 33 and name HB% ) ASSI { 1030} (( segid " " and resid 24 and name HB )) (( segid " " and resid 49 and name HB3 )) 3.100 1.200 1.200 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.11894E-02 ppm1 4.110 ppm2 2.182 CV 1 OR { 1030} (( segid " " and resid 16 and name HA )) (( segid " " and resid 49 and name HB3 )) ASSI { 1033} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 18 and name HB3 )) 3.300 3.300 2.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.59100E-03 ppm1 4.104 ppm2 2.380 CV 1 OR { 1033} (( segid " " and resid 24 and name HB )) (( segid " " and resid 18 and name HB3 )) ASSI { 1034} (( segid " " and resid 24 and name HB )) (( segid " " and resid 49 and name HB3 )) 3.000 1.100 1.100 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.14161E-02 ppm1 4.103 ppm2 2.236 CV 1 OR { 1034} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 23 and name HB )) OR { 1034} (( segid " " and resid 16 and name HA )) (( segid " " and resid 49 and name HB3 )) ASSI { 1036} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HB )) 4.200 2.200 1.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.15537E-03 ppm1 4.102 ppm2 1.789 CV 1 OR { 1036} (( segid " " and resid 24 and name HB )) (( segid " " and resid 7 and name HB2 )) ASSI { 1038} (( segid " " and resid 24 and name HB )) ( segid " " and resid 23 and name HG2%) 4.300 2.300 1.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.11151E-03 ppm1 4.104 ppm2 0.164 CV 1 OR { 1038} (( segid " " and resid 22 and name HA1 )) ( segid " " and resid 23 and name HG2%) ASSI { 1041} (( segid " " and resid 16 and name HA )) (( segid " " and resid 49 and name HB2 )) 3.700 1.700 1.700 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.36612E-03 ppm1 4.091 ppm2 1.986 CV 1 OR { 1041} (( segid " " and resid 24 and name HB )) (( segid " " and resid 49 and name HB2 )) ASSI { 1049} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 36 and name HB2 )) 1.800 1.800 4.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.24346E-01 ppm1 4.079 ppm2 1.933 CV 1 OR { 1049} (( segid " " and resid 22 and name HA1 )) (( segid " " and resid 42 and name HB )) ASSI { 1063} (( segid " " and resid 32 and name HB3 )) ( segid " " and resid 33 and name HB% ) 4.000 2.000 2.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.21521E-03 ppm1 4.033 ppm2 1.320 CV 1 OR { 1063} (( segid " " and resid 35 and name HA )) (( segid " " and resid 42 and name HG12)) ASSI { 1066} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HB3 )) 3.700 1.700 1.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.34605E-03 ppm1 3.995 ppm2 2.484 CV 1 OR { 1066} (( segid " " and resid 35 and name HA )) (( segid " " and resid 39 and name HB2 )) ASSI { 1069} (( segid " " and resid 6 and name HA1 )) (( segid " " and resid 7 and name HB2 )) 2.500 2.500 3.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.38285E-02 ppm1 3.995 ppm2 1.765 CV 1 OR { 1069} (( segid " " and resid 49 and name HA )) (( segid " " and resid 17 and name HB )) ASSI { 1070} (( segid " " and resid 35 and name HA )) (( segid " " and resid 42 and name HG12)) 3.200 1.300 1.300 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.81401E-03 ppm1 3.990 ppm2 1.318 CV 1 OR { 1070} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 42 and name HG12)) ASSI { 1072} (( segid " " and resid 35 and name HA )) ( segid " " and resid 42 and name HD1%) 3.300 1.400 1.400 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.56870E-03 ppm1 3.993 ppm2 0.623 CV 1 OR { 1072} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 42 and name HD1%) ASSI { 1075} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HB2 )) 2.900 1.100 1.100 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 3.990 ppm2 1.656 CV 1 OR { 1075} (( segid " " and resid 35 and name HA )) (( segid " " and resid 42 and name HG13)) OR { 1075} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 42 and name HG13)) ASSI { 1081} (( segid " " and resid 49 and name HA )) (( segid " " and resid 16 and name HB3 )) 3.700 1.700 1.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.36315E-03 ppm1 3.962 ppm2 0.975 CV 1 OR { 1081} (( segid " " and resid 6 and name HA1 )) ( segid " " and resid 5 and name HG1%) ASSI { 1085} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 45 and name HB% ) 3.600 1.600 1.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.50179E-03 ppm1 3.949 ppm2 1.169 CV 1 OR { 1085} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 43 and name HG2%) ASSI { 1089} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 42 and name HG13)) 4.800 2.800 1.200 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.10221E-03 ppm1 3.915 ppm2 1.666 CV 1 OR { 1089} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HB2 )) ASSI { 1095} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG2 )) 2.900 1.000 1.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.17952E-02 ppm1 3.588 ppm2 2.004 CV 1 OR { 1095} (( segid " " and resid 40 and name HD2 )) (( segid " " and resid 40 and name HB2 )) ASSI { 1097} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HB2 )) 4.000 2.000 2.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.23380E-03 ppm1 3.585 ppm2 1.075 CV 1 OR { 1097} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 16 and name HD2 )) ASSI { 1098} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 16 and name HB3 )) 4.500 2.500 1.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.60215E-04 ppm1 3.583 ppm2 0.959 CV 1 OR { 1098} (( segid " " and resid 34 and name HA )) ( segid " " and resid 5 and name HG1%) ASSI { 1126} (( segid " " and resid 48 and name HA2 )) ( segid " " and resid 17 and name HG1%) 5.600 3.900 0.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.18399E-04 ppm1 3.403 ppm2 0.634 CV 1 OR { 1126} (( segid " " and resid 14 and name HB3 )) ( segid " " and resid 17 and name HG1%) ASSI { 1127} (( segid " " and resid 48 and name HA2 )) (( segid " " and resid 16 and name HG3 )) 3.100 1.200 1.200 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.14534E-02 ppm1 3.394 ppm2 1.418 CV 1 OR { 1127} (( segid " " and resid 48 and name HA2 )) (( segid " " and resid 18 and name HB2 )) ASSI { 1128} (( segid " " and resid 48 and name HA2 )) (( segid " " and resid 16 and name HD2 )) 4.500 2.500 1.500 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.15760E-03 ppm1 3.390 ppm2 1.102 CV 1 OR { 1128} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 16 and name HD2 )) OR { 1128} (( segid " " and resid 48 and name HA2 )) ( segid " " and resid 24 and name HG2%) ASSI { 1129} (( segid " " and resid 48 and name HA2 )) (( segid " " and resid 16 and name HB3 )) 4.400 2.400 1.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.24086E-03 ppm1 3.389 ppm2 0.973 CV 1 OR { 1129} (( segid " " and resid 14 and name HB3 )) (( segid " " and resid 16 and name HB3 )) ASSI { 1130} (( segid " " and resid 14 and name HB3 )) ( segid " " and resid 11 and name HG2%) 5.000 3.200 1.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.50922E-04 ppm1 3.384 ppm2 1.330 CV 1 OR { 1130} (( segid " " and resid 37 and name HG3 )) ( segid " " and resid 33 and name HB% ) OR { 1130} (( segid " " and resid 29 and name HB3 )) ( segid " " and resid 33 and name HB% ) ASSI { 1135} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 33 and name HB% ) 3.700 1.700 1.700 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.27134E-03 ppm1 3.318 ppm2 1.336 CV 1 OR { 1135} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 9 and name HB% ) OR { 1135} (( segid " " and resid 10 and name HB3 )) ( segid " " and resid 11 and name HG2%) ASSI { 1145} (( segid " " and resid 31 and name HA )) ( segid " " and resid 33 and name HB% ) 5.100 3.200 0.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.43116E-04 ppm1 3.204 ppm2 1.327 CV 1 OR { 1145} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 11 and name HG2%) ASSI { 1146} (( segid " " and resid 31 and name HA )) ( segid " " and resid 17 and name HG2%) 5.000 3.200 1.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.56497E-04 ppm1 3.206 ppm2 0.587 CV 1 OR { 1146} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 17 and name HG2%) ASSI { 1150} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 16 and name HB3 )) 4.200 2.200 1.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.12191E-03 ppm1 3.193 ppm2 0.967 CV 1 OR { 1150} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 16 and name HB3 )) ASSI { 1151} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 44 and name HG2%) 5.100 3.300 0.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.51666E-04 ppm1 3.194 ppm2 0.348 CV 1 OR { 1151} (( segid " " and resid 31 and name HA )) ( segid " " and resid 44 and name HD1%) ASSI { 1152} (( segid " " and resid 50 and name HB3 )) ( segid " " and resid 24 and name HG2%) 4.200 2.200 1.800 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.11449E-03 ppm1 3.173 ppm2 1.107 CV 1 OR { 1152} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 16 and name HD2 )) OR { 1152} (( segid " " and resid 7 and name HD3 )) ( segid " " and resid 24 and name HG2%) ASSI { 1153} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 49 and name HB3 )) 3.700 1.700 1.700 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.19402E-03 ppm1 3.147 ppm2 2.222 CV 1 OR { 1153} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 23 and name HB )) ASSI { 1165} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 42 and name HB )) 4.800 2.900 1.200 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.65790E-04 ppm1 3.045 ppm2 1.966 CV 1 OR { 1165} (( segid " " and resid 6 and name HA2 )) (( segid " " and resid 5 and name HB )) OR { 1165} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 5 and name HB )) ASSI { 1166} (( segid " " and resid 29 and name HB2 )) ( segid " " and resid 33 and name HB% ) 3.300 1.400 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.62073E-03 ppm1 3.044 ppm2 1.318 CV 1 OR { 1166} (( segid " " and resid 21 and name HB3 )) (( segid " " and resid 42 and name HG12)) OR { 1166} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 33 and name HB% ) OR { 1166} (( segid " " and resid 30 and name HB3 )) ( segid " " and resid 9 and name HB% ) ASSI { 1168} (( segid " " and resid 31 and name HB3 )) ( segid " " and resid 17 and name HG2%) 3.500 1.500 1.500 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.45347E-03 ppm1 2.998 ppm2 0.589 CV 1 OR { 1168} (( segid " " and resid 15 and name HB3 )) ( segid " " and resid 17 and name HG2%) ASSI { 1172} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 16 and name HB3 )) 5.500 3.800 0.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.36872E-04 ppm1 2.963 ppm2 0.959 CV 1 OR { 1172} (( segid " " and resid 4 and name HB3 )) ( segid " " and resid 5 and name HG1%) ASSI { 1179} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 17 and name HB )) 5.300 3.500 0.700 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.31817E-04 ppm1 2.875 ppm2 1.779 CV 1 OR { 1179} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 17 and name HB )) ASSI { 1180} (( segid " " and resid 25 and name HB3 )) ( segid " " and resid 23 and name HG2%) 4.200 2.200 1.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.89206E-04 ppm1 2.876 ppm2 0.163 CV 1 OR { 1180} (( segid " " and resid 38 and name HB2 )) ( segid " " and resid 23 and name HG2%) ASSI { 1185} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 42 and name HG13)) 4.500 2.500 1.500 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.13121E-03 ppm1 2.802 ppm2 1.642 CV 1 OR { 1185} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 34 and name HB2 )) ASSI { 1186} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 42 and name HG12)) 3.700 1.700 1.700 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.26799E-03 ppm1 2.801 ppm2 1.317 CV 1 OR { 1186} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 33 and name HB% ) OR { 1186} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HB% ) ASSI { 1187} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 34 and name HG2 )) 2.400 2.400 3.600 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.35125E-02 ppm1 2.778 ppm2 2.050 CV 1 OR { 1187} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 34 and name HG2 )) OR { 1187} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 34 and name HG2 )) ASSI { 1188} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 35 and name HB3 )) 3.200 3.200 2.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.73967E-03 ppm1 2.777 ppm2 1.842 CV 1 OR { 1188} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 12 and name HB3 )) ASSI { 1202} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 35 and name HB2 )) 2.800 2.800 3.200 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.15016E-02 ppm1 2.386 ppm2 1.090 CV 1 OR { 1202} (( segid " " and resid 18 and name HB3 )) ( segid " " and resid 24 and name HG2%) ASSI { 1208} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HB2 )) 2.800 1.000 1.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.11449E-02 ppm1 1.991 ppm2 1.087 CV 1 OR { 1208} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 24 and name HG2%) ASSI { 1213} ( segid " " and resid 47 and name HE% ) ( segid " " and resid 17 and name HG1%) 3.200 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.75454E-03 ppm1 1.842 ppm2 0.625 CV 1 OR { 1213} (( segid " " and resid 35 and name HB3 )) ( segid " " and resid 42 and name HD1%) ASSI { 1214} ( segid " " and resid 47 and name HE% ) ( segid " " and resid 44 and name HG2%) 3.700 1.800 1.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.20331E-03 ppm1 1.841 ppm2 0.348 CV 1 OR { 1214} (( segid " " and resid 35 and name HB3 )) ( segid " " and resid 44 and name HD1%) ASSI { 1220} (( segid " " and resid 18 and name HB2 )) ( segid " " and resid 17 and name HG2%) 3.000 3.000 3.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.14161E-02 ppm1 1.427 ppm2 0.586 CV 1 OR { 1220} (( segid " " and resid 44 and name HB )) ( segid " " and resid 17 and name HG2%) ASSI { 1225} (( segid " " and resid 42 and name HG12)) (( segid " " and resid 35 and name HB2 )) 2.800 2.800 3.200 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.12117E-02 ppm1 1.325 ppm2 1.091 CV 1 OR { 1225} ( segid " " and resid 33 and name HB% ) (( segid " " and resid 35 and name HB2 )) ASSI { 1230} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HB2 )) 2.100 2.100 3.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.74711E-02 ppm1 2.219 ppm2 1.667 CV 1 OR { 1230} (( segid " " and resid 23 and name HB )) (( segid " " and resid 34 and name HB2 )) OR { 1230} (( segid " " and resid 23 and name HB )) (( segid " " and resid 42 and name HG13)) ASSI { 1232} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 8 and name HD3 )) 2.000 2.000 4.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.75082E-02 ppm1 2.166 ppm2 1.740 CV 1 OR { 1232} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 7 and name HB2 )) ASSI { 1243} (( segid " " and resid 31 and name HA )) (( segid " " and resid 25 and name HB2 )) 1.900 1.900 4.100 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.17210E-01 ppm1 3.211 ppm2 2.820 CV 1 OR { 1243} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HB2 )) ASSI { 1244} (( segid " " and resid 31 and name HA )) (( segid " " and resid 25 and name HB3 )) 3.100 1.200 1.200 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.86972E-03 ppm1 3.201 ppm2 2.842 CV 1 OR { 1244} (( segid " " and resid 31 and name HA )) (( segid " " and resid 25 and name HB2 )) OR { 1244} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HB2 )) ASSI { 1245} (( segid " " and resid 34 and name HA )) (( segid " " and resid 38 and name HB3 )) 3.700 1.700 1.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.37170E-03 ppm1 3.583 ppm2 3.049 CV 1 OR { 1245} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 30 and name HB3 )) OR { 1245} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 29 and name HB2 )) ASSI { 1249} (( segid " " and resid 33 and name HA )) (( segid " " and resid 36 and name HG2 )) 2.800 1.000 1.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.13901E-02 ppm1 3.889 ppm2 2.226 CV 1 OR { 1249} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB )) ASSI { 1250} (( segid " " and resid 33 and name HA )) (( segid " " and resid 36 and name HG3 )) 3.300 1.400 1.400 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.84747E-03 ppm1 3.887 ppm2 2.461 CV 1 OR { 1250} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG3 )) ASSI { 1253} (( segid " " and resid 40 and name HD3 )) ( segid " " and resid 1 and name HB% ) 2.900 2.900 3.100 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 3.877 ppm2 1.580 CV 1 OR { 1253} (( segid " " and resid 36 and name HA )) ( segid " " and resid 1 and name HB% ) OR { 1253} (( segid " " and resid 33 and name HA )) (( segid " " and resid 8 and name HB3 )) ASSI { 1265} (( segid " " and resid 18 and name HB3 )) (( segid " " and resid 49 and name HB3 )) 3.200 3.200 2.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 2.384 ppm2 2.182 CV 1 OR { 1265} (( segid " " and resid 40 and name HB3 )) (( segid " " and resid 35 and name HG3 )) ASSI { 1267} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) 3.100 1.200 1.200 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.87717E-03 ppm1 2.017 ppm2 1.647 CV 1 OR { 1267} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 42 and name HG13)) ASSI { 1270} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 42 and name HN )) 5.100 3.200 0.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.57241E-04 ppm1 7.727 ppm2 7.265 CV 1 OR { 1270} (( segid " " and resid 35 and name HN )) (( segid " " and resid 30 and name HD22)) OR { 1270} (( segid " " and resid 35 and name HN )) (( segid " " and resid 42 and name HN )) OR { 1270} (( segid " " and resid 38 and name HN )) (( segid " " and resid 42 and name HN )) ASSI { 1278} (( segid " " and resid 20 and name HN )) ( segid " " and resid 31 and name HD% ) 4.900 3.000 1.100 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.70250E-04 ppm1 9.792 ppm2 6.743 CV 1 OR { 1278} (( segid " " and resid 20 and name HN )) ( segid " " and resid 25 and name HE% ) ASSI { 1280} (( segid " " and resid 20 and name HN )) ( segid " " and resid 25 and name HD% ) 4.900 3.000 1.100 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.76197E-04 ppm1 9.782 ppm2 7.048 CV 1 OR { 1280} (( segid " " and resid 20 and name HN )) (( segid " " and resid 35 and name HE22)) ASSI { 1298} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) 3.900 1.900 1.900 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.33341E-03 ppm1 8.840 ppm2 7.249 CV 1 OR { 1298} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HD1 )) ASSI { 1299} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HD% ) 3.900 1.900 1.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.19254E-03 ppm1 8.836 ppm2 7.071 CV 1 OR { 1299} (( segid " " and resid 21 and name HN )) (( segid " " and resid 35 and name HE22)) ASSI { 1301} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HE% ) 4.300 2.300 1.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.11114E-03 ppm1 8.824 ppm2 6.765 CV 1 OR { 1301} (( segid " " and resid 43 and name HN )) ( segid " " and resid 31 and name HD% ) OR { 1301} (( segid " " and resid 21 and name HN )) ( segid " " and resid 31 and name HD% ) ASSI { 1303} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 46 and name HD2 )) 4.300 2.300 1.700 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.15276E-03 ppm1 8.729 ppm2 7.218 CV 1 OR { 1303} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HE )) ASSI { 1305} (( segid " " and resid 30 and name HN )) ( segid " " and resid 25 and name HD% ) 4.600 2.700 1.400 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.78427E-04 ppm1 8.664 ppm2 7.047 CV 1 OR { 1305} (( segid " " and resid 32 and name HN )) ( segid " " and resid 25 and name HD% ) OR { 1305} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HE22)) ASSI { 1308} (( segid " " and resid 30 and name HN )) (( segid " " and resid 12 and name HE )) 3.900 1.900 1.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.34233E-03 ppm1 8.661 ppm2 7.245 CV 1 OR { 1308} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HD22)) ASSI { 1311} (( segid " " and resid 5 and name HN )) (( segid " " and resid 34 and name HE22)) 3.800 1.800 1.800 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.26874E-03 ppm1 8.507 ppm2 6.907 CV 1 OR { 1311} (( segid " " and resid 44 and name HN )) ( segid " " and resid 31 and name HE% ) OR { 1311} (( segid " " and resid 8 and name HN )) (( segid " " and resid 34 and name HE22)) ASSI { 1315} (( segid " " and resid 4 and name HN )) (( segid " " and resid 34 and name HE22)) 4.900 3.000 1.100 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.60958E-04 ppm1 8.359 ppm2 6.882 CV 1 OR { 1315} (( segid " " and resid 9 and name HN )) (( segid " " and resid 34 and name HE22)) OR { 1315} (( segid " " and resid 4 and name HN )) (( segid " " and resid 37 and name HE22)) ASSI { 1316} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HE )) 4.100 2.100 1.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.15797E-03 ppm1 8.305 ppm2 7.178 CV 1 OR { 1316} (( segid " " and resid 29 and name HN )) (( segid " " and resid 34 and name HN )) OR { 1316} (( segid " " and resid 9 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 1319} (( segid " " and resid 18 and name HN )) (( segid " " and resid 46 and name HN )) 2.200 0.600 0.600 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.69507E-02 ppm1 8.243 ppm2 7.243 CV 1 OR { 1319} (( segid " " and resid 29 and name HN )) (( segid " " and resid 12 and name HE )) ASSI { 1321} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD% ) 4.300 2.300 1.700 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.10854E-03 ppm1 8.189 ppm2 7.022 CV 1 OR { 1321} (( segid " " and resid 24 and name HN )) (( segid " " and resid 35 and name HE22)) OR { 1321} (( segid " " and resid 48 and name HN )) ( segid " " and resid 25 and name HD% ) OR { 1321} (( segid " " and resid 41 and name HN )) (( segid " " and resid 35 and name HE22)) ASSI { 1322} (( segid " " and resid 27 and name HD21)) (( segid " " and resid 12 and name HE )) 4.000 2.000 2.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.18213E-03 ppm1 8.119 ppm2 7.244 CV 1 OR { 1322} (( segid " " and resid 10 and name HN )) (( segid " " and resid 30 and name HD22)) ASSI { 1333} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HE% ) 4.300 2.300 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.13715E-03 ppm1 7.827 ppm2 6.885 CV 1 OR { 1333} (( segid " " and resid 39 and name HN )) (( segid " " and resid 34 and name HE22)) OR { 1333} (( segid " " and resid 39 and name HN )) ( segid " " and resid 31 and name HE% ) ASSI { 56} (( segid " " and resid 15 and name HN )) (( segid " " and resid 27 and name HD21)) 4.000 2.000 2.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.33988E-03 ppm1 8.933 ppm2 8.129 CV 1 OR { 56} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HN )) ASSI { 86} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 4.200 2.300 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19027E-03 ppm1 8.843 ppm2 8.106 CV 1 OR { 86} (( segid " " and resid 14 and name HN )) (( segid " " and resid 27 and name HD21)) ASSI { 125} (( segid " " and resid 23 and name HN )) ( segid " " and resid 25 and name HD% ) 5.800 4.100 0.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.27763E-04 ppm1 7.747 ppm2 7.022 CV 1 OR { 125} (( segid " " and resid 23 and name HN )) (( segid " " and resid 35 and name HE22)) ASSI { 175} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD% ) 6.000 5.000 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.15311E-04 ppm1 8.197 ppm2 7.029 CV 1 OR { 175} (( segid " " and resid 24 and name HN )) (( segid " " and resid 35 and name HE22)) ASSI { 226} (( segid " " and resid 4 and name HN )) (( segid " " and resid 34 and name HE21)) 4.000 2.000 2.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.27286E-03 ppm1 8.350 ppm2 8.000 CV 1 OR { 226} (( segid " " and resid 4 and name HN )) (( segid " " and resid 37 and name HE21)) ASSI { 346} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.40024E-02 ppm1 7.834 ppm2 8.644 CV 1 OR { 346} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 400} (( segid " " and resid 21 and name HN )) (( segid " " and resid 42 and name HN )) 6.000 6.000 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.74331E-06 ppm1 8.811 ppm2 7.225 CV 1 OR { 400} (( segid " " and resid 21 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 421} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.900 1.000 1.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.14453E-02 ppm1 8.578 ppm2 8.123 CV 1 OR { 421} (( segid " " and resid 12 and name HN )) (( segid " " and resid 27 and name HD21)) ASSI { 453} (( segid " " and resid 26 and name HN )) (( segid " " and resid 17 and name HN )) 6.000 6.000 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.42883E-05 ppm1 9.306 ppm2 8.322 CV 1 OR { 453} (( segid " " and resid 26 and name HN )) (( segid " " and resid 29 and name HN )) ASSI { 470} (( segid " " and resid 39 and name HN )) (( segid " " and resid 34 and name HE22)) 4.400 2.500 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.99746E-04 ppm1 7.809 ppm2 6.896 CV 1 OR { 470} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HE22)) OR { 470} (( segid " " and resid 39 and name HN )) ( segid " " and resid 31 and name HE% ) ASSI { 471} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.600 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.35259E-02 ppm1 7.801 ppm2 5.022 CV 1 OR { 471} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 494} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.000 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13564E-02 ppm1 7.246 ppm2 4.705 CV 1 OR { 494} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 506} (( segid " " and resid 20 and name HN )) (( segid " " and resid 43 and name HN )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.22490E-02 ppm1 9.767 ppm2 8.825 CV 1 OR { 506} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 768} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HE )) 6.000 5.000 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.16836E-04 ppm1 8.235 ppm2 7.256 CV 1 OR { 768} (( segid " " and resid 49 and name HN )) (( segid " " and resid 14 and name HD1 )) ASSI { 837} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 21 and name HN )) 5.800 4.100 0.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.33036E-04 ppm1 7.711 ppm2 8.828 CV 1 OR { 837} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 43 and name HN )) ASSI { 839} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 44 and name HN )) 4.900 3.000 1.100 peak 839 spectrum 1 weight 0.10000E+01 volume 0.68613E-04 ppm1 7.709 ppm2 8.480 CV 1 OR { 839} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 22 and name HN )) ASSI { 849} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 42 and name HA )) 5.800 4.300 0.200 peak 849 spectrum 1 weight 0.10000E+01 volume 0.31542E-04 ppm1 7.710 ppm2 4.204 CV 1 OR { 849} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 43 and name HB )) ASSI { 899} (( segid " " and resid 37 and name HN )) (( segid " " and resid 33 and name HN )) 3.400 3.400 2.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.48283E-03 ppm1 7.606 ppm2 7.938 CV 1 OR { 899} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HE21)) ASSI { 905} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.200 1.300 1.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.96567E-03 ppm1 7.606 ppm2 3.898 CV 1 OR { 905} (( segid " " and resid 37 and name HN )) (( segid " " and resid 33 and name HA )) ASSI { 925} (( segid " " and resid 37 and name HE21)) (( segid " " and resid 38 and name HA )) 6.000 5.700 0.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.11499E-04 ppm1 7.984 ppm2 5.015 CV 1 OR { 925} (( segid " " and resid 34 and name HE21)) (( segid " " and resid 38 and name HA )) ASSI { 942} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 4 and name HN )) 4.700 2.800 1.300 peak 942 spectrum 1 weight 0.10000E+01 volume 0.82907E-04 ppm1 6.901 ppm2 8.332 CV 1 OR { 942} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 9 and name HN )) ASSI { 948} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 30 and name HD22)) 3.600 3.600 2.400 peak 948 spectrum 1 weight 0.10000E+01 volume 0.29129E-03 ppm1 6.886 ppm2 7.232 CV 1 OR { 948} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 7 and name HE )) ASSI { 958} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 38 and name HA )) 6.000 5.900 0.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.93071E-05 ppm1 6.896 ppm2 5.045 CV 1 OR { 958} (( segid " " and resid 37 and name HE22)) (( segid " " and resid 38 and name HA )) ASSI { 964} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 6 and name HA2 )) 2.700 2.700 3.300 peak 964 spectrum 1 weight 0.10000E+01 volume 0.23729E-02 ppm1 6.901 ppm2 3.052 CV 1 OR { 964} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 38 and name HB3 )) ASSI { 1076} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB )) 3.400 1.500 1.500 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.91163E-03 ppm1 9.512 ppm2 4.086 CV 1 OR { 1076} (( segid " " and resid 25 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 1092} (( segid " " and resid 14 and name HE1 )) (( segid " " and resid 15 and name HA )) 5.200 3.300 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.79096E-04 ppm1 10.310 ppm2 4.504 CV 1 OR { 1092} (( segid " " and resid 14 and name HE1 )) (( segid " " and resid 48 and name HA1 )) ASSI { 1129} (( segid " " and resid 5 and name HN )) ( segid " " and resid 1 and name HB% ) 6.000 6.000 0.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.34942E-05 ppm1 8.532 ppm2 1.618 CV 1 OR { 1129} (( segid " " and resid 5 and name HN )) (( segid " " and resid 8 and name HB3 )) OR { 1129} (( segid " " and resid 5 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 1145} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG3 )) 2.500 2.500 3.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 8.447 ppm2 1.677 CV 1 OR { 1145} (( segid " " and resid 8 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 1161} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HG3 )) 3.200 1.300 1.300 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.70519E-03 ppm1 8.350 ppm2 1.664 CV 1 OR { 1161} (( segid " " and resid 9 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 1180} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HG3 )) 5.500 3.800 0.500 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.43201E-04 ppm1 8.751 ppm2 1.339 CV 1 OR { 1180} (( segid " " and resid 7 and name HN )) ( segid " " and resid 9 and name HB% ) ASSI { 1198} (( segid " " and resid 50 and name HN )) (( segid " " and resid 16 and name HB2 )) 6.000 6.000 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.56225E-05 ppm1 8.371 ppm2 0.739 CV 1 OR { 1198} (( segid " " and resid 50 and name HN )) ( segid " " and resid 23 and name HG1%) ASSI { 1214} (( segid " " and resid 24 and name HN )) (( segid " " and resid 7 and name HD3 )) 6.000 6.000 0.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.51777E-05 ppm1 8.215 ppm2 3.224 CV 1 OR { 1214} (( segid " " and resid 24 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 1237} (( segid " " and resid 18 and name HN )) (( segid " " and resid 46 and name HB2 )) 6.000 5.400 0.000 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.16645E-04 ppm1 8.238 ppm2 3.166 CV 1 OR { 1237} (( segid " " and resid 18 and name HN )) (( segid " " and resid 50 and name HB3 )) ASSI { 1283} (( segid " " and resid 4 and name HN )) (( segid " " and resid 37 and name HB3 )) 5.200 3.300 0.800 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.61624E-04 ppm1 8.343 ppm2 2.033 CV 1 OR { 1283} (( segid " " and resid 4 and name HN )) (( segid " " and resid 34 and name HG2 )) ASSI { 1316} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.500 0.800 0.800 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.36213E-02 ppm1 8.108 ppm2 2.797 CV 1 OR { 1316} (( segid " " and resid 10 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 1322} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HG3 )) 3.800 3.800 2.200 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.33353E-03 ppm1 8.109 ppm2 1.666 CV 1 OR { 1322} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HG3 )) OR { 1322} (( segid " " and resid 10 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 1357} (( segid " " and resid 30 and name HN )) (( segid " " and resid 12 and name HG3 )) 5.200 3.400 0.800 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.51142E-04 ppm1 8.657 ppm2 1.690 CV 1 OR { 1357} (( segid " " and resid 30 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 1358} (( segid " " and resid 30 and name HN )) (( segid " " and resid 34 and name HB2 )) 5.900 4.400 0.100 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.28557E-04 ppm1 8.676 ppm2 1.634 CV 1 OR { 1358} (( segid " " and resid 30 and name HN )) (( segid " " and resid 8 and name HB3 )) ASSI { 1360} (( segid " " and resid 30 and name HN )) ( segid " " and resid 17 and name HG2%) 5.600 4.000 0.400 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.22998E-04 ppm1 8.658 ppm2 0.604 CV 1 OR { 1360} (( segid " " and resid 30 and name HN )) ( segid " " and resid 17 and name HG1%) OR { 1360} (( segid " " and resid 30 and name HN )) ( segid " " and resid 42 and name HD1%) ASSI { 1385} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HG3 )) 6.000 4.600 0.000 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.30082E-04 ppm1 7.676 ppm2 2.457 CV 1 OR { 1385} (( segid " " and resid 35 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 1395} (( segid " " and resid 31 and name HN )) (( segid " " and resid 35 and name HG2 )) 6.000 6.000 0.000 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.34306E-05 ppm1 7.835 ppm2 2.037 CV 1 OR { 1395} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HG2 )) ASSI { 1399} (( segid " " and resid 31 and name HN )) ( segid " " and resid 17 and name HG2%) 3.500 1.500 1.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.58448E-03 ppm1 7.834 ppm2 0.594 CV 1 OR { 1399} (( segid " " and resid 31 and name HN )) ( segid " " and resid 42 and name HD1%) ASSI { 1411} (( segid " " and resid 3 and name HN )) (( segid " " and resid 37 and name HB3 )) 3.200 3.200 2.800 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.68930E-03 ppm1 8.496 ppm2 2.056 CV 1 OR { 1411} (( segid " " and resid 44 and name HN )) (( segid " " and resid 47 and name HB2 )) ASSI { 1437} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 8.818 ppm2 4.134 CV 1 OR { 1437} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HA1 )) ASSI { 1506} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.19282E-02 ppm1 9.305 ppm2 2.842 CV 1 OR { 1506} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) OR { 1506} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB3 )) ASSI { 1511} (( segid " " and resid 26 and name HN )) ( segid " " and resid 9 and name HB% ) 6.000 5.900 0.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.72425E-05 ppm1 9.302 ppm2 1.333 CV 1 OR { 1511} (( segid " " and resid 26 and name HN )) ( segid " " and resid 11 and name HG2%) OR { 1511} (( segid " " and resid 26 and name HN )) ( segid " " and resid 33 and name HB% ) ASSI { 1516} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) 2.500 0.800 0.800 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.39389E-02 ppm1 7.803 ppm2 2.842 CV 1 OR { 1516} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB3 )) ASSI { 1519} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.000 3.000 3.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.15056E-02 ppm1 7.803 ppm2 2.019 CV 1 OR { 1519} (( segid " " and resid 39 and name HN )) (( segid " " and resid 34 and name HG2 )) OR { 1519} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HG2 )) ASSI { 1520} (( segid " " and resid 39 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.400 2.400 1.600 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.14390E-03 ppm1 7.800 ppm2 1.646 CV 1 OR { 1520} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HG13)) ASSI { 1545} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 6.000 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.32083E-05 ppm1 8.633 ppm2 1.635 CV 1 OR { 1545} (( segid " " and resid 32 and name HN )) (( segid " " and resid 42 and name HG13)) ASSI { 1552} (( segid " " and resid 19 and name HN )) (( segid " " and resid 22 and name HA1 )) 5.300 3.500 0.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.49871E-04 ppm1 9.678 ppm2 4.148 CV 1 OR { 1552} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) OR { 1552} (( segid " " and resid 19 and name HN )) (( segid " " and resid 24 and name HB )) ASSI { 1574} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG3 )) 6.000 4.800 0.000 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.20393E-04 ppm1 8.847 ppm2 1.625 CV 1 OR { 1574} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HB3 )) OR { 1574} (( segid " " and resid 6 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 1587} (( segid " " and resid 38 and name HN )) (( segid " " and resid 34 and name HA )) 3.200 1.300 1.300 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.10006E-02 ppm1 7.710 ppm2 3.590 CV 1 OR { 1587} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HD2 )) ASSI { 1591} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HG3 )) 4.700 2.800 1.300 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.10768E-03 ppm1 7.711 ppm2 2.453 CV 1 OR { 1591} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 1593} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.800 2.800 3.200 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.28017E-02 ppm1 7.710 ppm2 2.012 CV 1 OR { 1593} (( segid " " and resid 38 and name HN )) (( segid " " and resid 34 and name HG2 )) OR { 1593} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HG2 )) ASSI { 1596} (( segid " " and resid 38 and name HN )) (( segid " " and resid 34 and name HB2 )) 5.300 3.500 0.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.33988E-04 ppm1 7.691 ppm2 1.630 CV 1 OR { 1596} (( segid " " and resid 38 and name HN )) (( segid " " and resid 42 and name HG13)) ASSI { 1597} (( segid " " and resid 38 and name HN )) ( segid " " and resid 33 and name HB% ) 6.000 5.800 0.000 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.81001E-05 ppm1 7.711 ppm2 1.301 CV 1 OR { 1597} (( segid " " and resid 38 and name HN )) (( segid " " and resid 42 and name HG12)) ASSI { 1609} (( segid " " and resid 27 and name HD21)) (( segid " " and resid 10 and name HB2 )) 4.600 2.700 1.400 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.15597E-03 ppm1 8.114 ppm2 2.808 CV 1 OR { 1609} (( segid " " and resid 27 and name HD21)) (( segid " " and resid 30 and name HB2 )) OR { 1609} (( segid " " and resid 27 and name HD21)) (( segid " " and resid 15 and name HB2 )) ASSI { 1615} (( segid " " and resid 48 and name HN )) (( segid " " and resid 16 and name HG3 )) 3.700 1.800 1.800 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.56860E-03 ppm1 8.158 ppm2 1.420 CV 1 OR { 1615} (( segid " " and resid 48 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 1688} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG3 )) 4.600 2.600 1.400 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.15756E-03 ppm1 8.358 ppm2 1.402 CV 1 OR { 1688} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 1763} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HG2%) 2.800 1.000 1.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.25412E-02 ppm1 8.237 ppm2 1.327 CV 1 OR { 1763} (( segid " " and resid 36 and name HN )) ( segid " " and resid 33 and name HB% ) ASSI { 1785} (( segid " " and resid 30 and name HD21)) ( segid " " and resid 33 and name HB% ) 6.000 6.000 0.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.52095E-05 ppm1 7.438 ppm2 1.322 CV 1 OR { 1785} (( segid " " and resid 30 and name HD21)) (( segid " " and resid 8 and name HG3 )) ASSI { 1793} (( segid " " and resid 30 and name HD22)) (( segid " " and resid 8 and name HG3 )) 5.800 4.200 0.200 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.25412E-04 ppm1 7.215 ppm2 1.331 CV 1 OR { 1793} (( segid " " and resid 30 and name HD22)) ( segid " " and resid 33 and name HB% ) ASSI { 1802} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 39 and name HB3 )) 6.000 5.900 0.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.80683E-05 ppm1 7.705 ppm2 2.820 CV 1 OR { 1802} (( segid " " and resid 35 and name HE21)) (( segid " " and resid 25 and name HB2 )) ASSI { 1865} (( segid " " and resid 37 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.400 2.400 3.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.79096E-02 ppm1 7.605 ppm2 2.004 CV 1 OR { 1865} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HG2 )) OR { 1865} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HG2 )) ASSI { 1879} (( segid " " and resid 34 and name HE21)) ( segid " " and resid 42 and name HD1%) 4.100 2.100 1.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.20679E-03 ppm1 7.985 ppm2 0.633 CV 1 OR { 1879} (( segid " " and resid 37 and name HE21)) ( segid " " and resid 42 and name HD1%) ASSI { 1898} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 34 and name HG2 )) 3.600 1.600 1.600 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.74966E-03 ppm1 6.901 ppm2 2.047 CV 1 OR { 1898} (( segid " " and resid 37 and name HE22)) (( segid " " and resid 37 and name HB3 )) ASSI { 1900} (( segid " " and resid 34 and name HE22)) (( segid " " and resid 34 and name HB2 )) 4.100 2.100 1.900 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.20044E-03 ppm1 6.900 ppm2 1.625 CV 1 OR { 1900} (( segid " " and resid 37 and name HE22)) (( segid " " and resid 34 and name HB2 )) ASSI { 1926} (( segid " " and resid 34 and name HE21)) (( segid " " and resid 8 and name HG3 )) 3.100 3.100 2.900 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.80366E-03 ppm1 7.939 ppm2 1.328 CV 1 OR { 1926} (( segid " " and resid 34 and name HE21)) ( segid " " and resid 33 and name HB% ) ASSI { 1993} (( segid " " and resid 44 and name HN )) ( segid " " and resid 17 and name HG2%) 2.400 2.400 3.600 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.52095E-02 ppm1 8.476 ppm2 0.597 CV 1 OR { 1993} (( segid " " and resid 44 and name HN )) ( segid " " and resid 42 and name HD1%)
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