NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
643268 | 6rqs | 34400 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: unambig_ambig.tbl !!unambig.tbl ASSI { 3} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 11 and name HD1 )) 3.300 3.300 2.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.97737E-03 ppm1 1.064 ppm2 6.844 CV 1 OR { 3} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 11 and name HD1 )) ASSI { 4} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 11 and name HE3 )) 3.500 1.500 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.78325E-03 ppm1 1.071 ppm2 7.342 CV 1 OR { 4} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 11 and name HE3 )) ASSI { 6} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 15 and name HD1 )) 2.200 0.600 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.77095E-02 ppm1 1.073 ppm2 2.659 CV 1 OR { 6} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 15 and name HD2 )) OR { 6} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 15 and name HD2 )) OR { 6} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 15 and name HD1 )) ASSI { 7} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 15 and name HE )) 2.600 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.28237E-02 ppm1 1.074 ppm2 7.115 CV 1 OR { 7} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 15 and name HE )) ASSI { 9} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 15 and name HN )) 2.600 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.40596E-02 ppm1 1.076 ppm2 7.723 CV 1 OR { 9} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 15 and name HN )) ASSI { 12} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 2 and name HE )) 3.400 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.61363E-03 ppm1 1.235 ppm2 7.238 CV 1 OR { 12} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 2 and name HE )) ASSI { 13} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 2 and name HA )) 2.600 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.40567E-02 ppm1 1.250 ppm2 3.999 CV 1 OR { 13} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 2 and name HA )) ASSI { 14} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 2 and name HN )) 2.500 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.37145E-02 ppm1 1.255 ppm2 8.489 CV 1 OR { 14} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 2 and name HN )) ASSI { 17} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HA )) 2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.48079E-02 ppm1 1.263 ppm2 3.763 CV 1 OR { 17} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 4 and name HA )) ASSI { 19} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 3 and name HN )) 3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 1.267 ppm2 7.627 CV 1 OR { 19} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 3 and name HN )) ASSI { 21} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 3 and name HH2 )) 3.300 1.400 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.93176E-03 ppm1 1.269 ppm2 6.850 CV 1 OR { 21} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 3 and name HH2 )) ASSI { 27} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 4 and name HE )) 3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.12033E-02 ppm1 1.276 ppm2 7.437 CV 1 OR { 27} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HE )) ASSI { 29} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HN )) 2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.21835E-02 ppm1 1.286 ppm2 7.759 CV 1 OR { 29} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 4 and name HN )) ASSI { 30} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HD1 )) 2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.42314E-02 ppm1 1.286 ppm2 3.024 CV 1 OR { 30} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 4 and name HD2 )) OR { 30} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HD2 )) OR { 30} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 4 and name HD1 )) ASSI { 32} (( segid "RW16" and resid 0 and name HG1 )) (( segid "RW16" and resid 1 and name HN )) 3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.79896E-03 ppm1 1.288 ppm2 8.399 CV 1 OR { 32} (( segid "RW16" and resid 0 and name HG2 )) (( segid "RW16" and resid 1 and name HN )) ASSI { 33} (( segid "RW16" and resid 15 and name HB1 )) (( segid "RW16" and resid 15 and name HN )) 2.600 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.57848E-02 ppm1 1.289 ppm2 7.724 CV 1 ASSI { 34} (( segid "RW16" and resid 15 and name HB1 )) (( segid "RW16" and resid 15 and name HA )) 2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.35030E-02 ppm1 1.293 ppm2 3.629 CV 1 ASSI { 35} (( segid "RW16" and resid 15 and name HB1 )) (( segid "RW16" and resid 15 and name HE )) 3.800 1.800 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.61597E-03 ppm1 1.296 ppm2 7.112 CV 1 ASSI { 36} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 9 and name HA )) 2.800 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.19030E-02 ppm1 1.299 ppm2 3.827 CV 1 OR { 36} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 9 and name HA )) ASSI { 41} (( segid "RW16" and resid 8 and name HG2 )) (( segid "RW16" and resid 8 and name HA )) 2.600 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.37340E-02 ppm1 1.390 ppm2 3.757 CV 1 OR { 41} (( segid "RW16" and resid 8 and name HG1 )) (( segid "RW16" and resid 8 and name HA )) ASSI { 45} (( segid "RW16" and resid 13 and name HG1 )) (( segid "RW16" and resid 13 and name HE )) 3.200 1.300 1.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.91104E-03 ppm1 1.405 ppm2 7.241 CV 1 OR { 45} (( segid "RW16" and resid 13 and name HG2 )) (( segid "RW16" and resid 13 and name HE )) ASSI { 46} (( segid "RW16" and resid 0 and name HB1 )) (( segid "RW16" and resid 1 and name HN )) 3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.11486E-02 ppm1 1.406 ppm2 8.398 CV 1 OR { 46} (( segid "RW16" and resid 0 and name HB2 )) (( segid "RW16" and resid 1 and name HN )) ASSI { 47} (( segid "RW16" and resid 13 and name HG2 )) (( segid "RW16" and resid 13 and name HN )) 2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.29209E-02 ppm1 1.419 ppm2 7.357 CV 1 OR { 47} (( segid "RW16" and resid 13 and name HG1 )) (( segid "RW16" and resid 13 and name HN )) ASSI { 49} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 15 and name HA )) 2.400 0.700 0.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.53478E-02 ppm1 1.422 ppm2 3.626 CV 1 ASSI { 50} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 15 and name HD1 )) 2.700 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.18767E-02 ppm1 1.423 ppm2 2.658 CV 1 OR { 50} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 15 and name HD2 )) ASSI { 52} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 15 and name HN )) 2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.34387E-02 ppm1 1.424 ppm2 7.722 CV 1 ASSI { 53} (( segid "RW16" and resid 13 and name HG1 )) (( segid "RW16" and resid 13 and name HA )) 2.300 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.65862E-02 ppm1 1.425 ppm2 3.900 CV 1 OR { 53} (( segid "RW16" and resid 13 and name HG2 )) (( segid "RW16" and resid 13 and name HA )) ASSI { 54} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 15 and name HE )) 3.400 1.400 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.11788E-02 ppm1 1.439 ppm2 7.110 CV 1 ASSI { 55} (( segid "RW16" and resid 12 and name HG2 )) (( segid "RW16" and resid 12 and name HA )) 2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.26461E-02 ppm1 1.446 ppm2 3.651 CV 1 OR { 55} (( segid "RW16" and resid 12 and name HG1 )) (( segid "RW16" and resid 12 and name HA )) ASSI { 58} (( segid "RW16" and resid 5 and name HG1 )) (( segid "RW16" and resid 5 and name HN )) 3.000 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.22089E-02 ppm1 1.463 ppm2 7.825 CV 1 OR { 58} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 5 and name HN )) ASSI { 61} (( segid "RW16" and resid 16 and name HG1 )) (( segid "RW16" and resid 16 and name HA )) 2.700 0.900 0.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.26552E-02 ppm1 1.480 ppm2 3.971 CV 1 OR { 61} (( segid "RW16" and resid 16 and name HG2 )) (( segid "RW16" and resid 16 and name HA )) ASSI { 63} (( segid "RW16" and resid 9 and name HB1 )) (( segid "RW16" and resid 9 and name HA )) 2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.20006E-02 ppm1 1.490 ppm2 3.826 CV 1 ASSI { 66} (( segid "RW16" and resid 1 and name HG2 )) (( segid "RW16" and resid 1 and name HN )) 2.600 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.28889E-02 ppm1 1.500 ppm2 8.399 CV 1 OR { 66} (( segid "RW16" and resid 1 and name HG1 )) (( segid "RW16" and resid 1 and name HN )) ASSI { 67} (( segid "RW16" and resid 16 and name HG2 )) (( segid "RW16" and resid 16 and name HN )) 3.000 1.200 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.15323E-02 ppm1 1.504 ppm2 7.529 CV 1 OR { 67} (( segid "RW16" and resid 16 and name HG1 )) (( segid "RW16" and resid 16 and name HN )) ASSI { 68} (( segid "RW16" and resid 16 and name HG1 )) (( segid "RW16" and resid 16 and name HE )) 3.200 1.300 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.91373E-03 ppm1 1.514 ppm2 7.160 CV 1 OR { 68} (( segid "RW16" and resid 16 and name HG2 )) (( segid "RW16" and resid 16 and name HE )) ASSI { 69} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 2 and name HN )) 2.400 0.700 0.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.49594E-02 ppm1 1.534 ppm2 8.488 CV 1 ASSI { 71} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HE )) 3.100 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.84049E-03 ppm1 1.544 ppm2 7.428 CV 1 ASSI { 74} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HA )) 2.100 2.100 3.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.80092E-02 ppm1 1.561 ppm2 3.760 CV 1 ASSI { 75} (( segid "RW16" and resid 12 and name HB1 )) (( segid "RW16" and resid 12 and name HA )) 3.100 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.12706E-02 ppm1 1.563 ppm2 3.645 CV 1 ASSI { 76} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HN )) 2.800 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.39934E-02 ppm1 1.563 ppm2 7.760 CV 1 ASSI { 77} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 3 and name HN )) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.23260E-02 ppm1 1.565 ppm2 7.626 CV 1 OR { 77} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 3 and name HN )) ASSI { 80} (( segid "RW16" and resid 12 and name HB1 )) (( segid "RW16" and resid 12 and name HN )) 3.300 1.300 1.300 peak 80 spectrum 1 weight 0.10000E+01 volume 0.86012E-03 ppm1 1.568 ppm2 7.501 CV 1 ASSI { 85} (( segid "RW16" and resid 1 and name HB1 )) (( segid "RW16" and resid 1 and name HA )) 2.000 0.500 0.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.13797E-01 ppm1 1.585 ppm2 3.928 CV 1 OR { 85} (( segid "RW16" and resid 1 and name HB2 )) (( segid "RW16" and resid 1 and name HA )) ASSI { 86} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HA )) 2.200 0.600 0.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.67977E-02 ppm1 1.587 ppm2 3.997 CV 1 ASSI { 88} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HN )) 2.300 2.300 3.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.66165E-02 ppm1 1.602 ppm2 8.488 CV 1 ASSI { 89} (( segid "RW16" and resid 1 and name HB2 )) (( segid "RW16" and resid 1 and name HN )) 2.100 0.600 0.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.10322E-01 ppm1 1.602 ppm2 8.401 CV 1 OR { 89} (( segid "RW16" and resid 1 and name HB1 )) (( segid "RW16" and resid 1 and name HN )) ASSI { 91} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 16 and name HN )) 2.500 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.42157E-02 ppm1 1.654 ppm2 7.529 CV 1 OR { 91} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 16 and name HN )) ASSI { 92} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 16 and name HA )) 2.400 0.700 0.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.52253E-02 ppm1 1.663 ppm2 3.973 CV 1 OR { 92} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 16 and name HA )) ASSI { 95} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 6 and name HN )) 2.500 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.40561E-02 ppm1 1.679 ppm2 7.700 CV 1 OR { 95} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 6 and name HN )) ASSI { 96} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 5 and name HN )) 2.100 0.500 0.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.12193E-01 ppm1 1.681 ppm2 7.822 CV 1 OR { 96} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 5 and name HN )) ASSI { 98} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 13 and name HE )) 3.400 1.400 1.400 peak 98 spectrum 1 weight 0.10000E+01 volume 0.72457E-03 ppm1 1.682 ppm2 7.239 CV 1 OR { 98} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 13 and name HE )) ASSI { 99} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 10 and name HA )) 3.000 1.100 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.12343E-02 ppm1 1.683 ppm2 4.121 CV 1 OR { 99} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 10 and name HA )) ASSI { 101} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 13 and name HN )) 2.100 0.500 0.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12162E-01 ppm1 1.687 ppm2 7.357 CV 1 OR { 101} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 13 and name HN )) ASSI { 102} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 9 and name HN )) 2.000 0.500 0.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11492E-01 ppm1 1.691 ppm2 7.547 CV 1 ASSI { 103} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 13 and name HA )) 1.900 0.500 0.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.19065E-01 ppm1 1.691 ppm2 3.900 CV 1 OR { 103} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 13 and name HA )) ASSI { 107} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 9 and name HA )) 2.300 0.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.68534E-02 ppm1 1.696 ppm2 3.826 CV 1 ASSI { 113} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 4 and name HA )) 2.000 0.500 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14514E-01 ppm1 1.701 ppm2 3.758 CV 1 ASSI { 117} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 4 and name HN )) 2.600 2.600 3.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.27317E-02 ppm1 1.713 ppm2 7.762 CV 1 ASSI { 118} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 4 and name HE )) 3.600 1.600 1.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.87234E-03 ppm1 1.714 ppm2 7.429 CV 1 ASSI { 132} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 14 and name HE1 )) 3.900 1.900 1.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.39226E-03 ppm1 2.655 ppm2 10.006 CV 1 ASSI { 133} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 14 and name HE3 )) 2.400 0.700 0.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.43606E-02 ppm1 2.661 ppm2 7.125 CV 1 ASSI { 134} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 15 and name HA )) 2.800 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.29077E-02 ppm1 2.661 ppm2 3.628 CV 1 OR { 134} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 15 and name HA )) ASSI { 136} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 15 and name HN )) 2.600 0.900 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.23590E-02 ppm1 2.665 ppm2 7.723 CV 1 OR { 136} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 15 and name HN )) ASSI { 137} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 15 and name HE )) 2.600 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.24041E-02 ppm1 2.665 ppm2 7.107 CV 1 OR { 137} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 15 and name HE )) ASSI { 140} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 14 and name HN )) 2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.36703E-02 ppm1 2.669 ppm2 7.832 CV 1 ASSI { 142} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 14 and name HB2 )) 2.000 0.500 0.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10268E-01 ppm1 2.670 ppm2 2.894 CV 1 ASSI { 143} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 14 and name HD1 )) 2.800 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.34824E-02 ppm1 2.673 ppm2 6.813 CV 1 ASSI { 146} (( segid "RW16" and resid 11 and name HB1 )) (( segid "RW16" and resid 11 and name HA )) 2.600 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.38863E-02 ppm1 2.769 ppm2 4.066 CV 1 ASSI { 147} (( segid "RW16" and resid 11 and name HB1 )) (( segid "RW16" and resid 11 and name HD1 )) 2.800 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.31995E-02 ppm1 2.770 ppm2 6.844 CV 1 ASSI { 148} (( segid "RW16" and resid 11 and name HB1 )) (( segid "RW16" and resid 11 and name HE3 )) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.32176E-02 ppm1 2.770 ppm2 7.355 CV 1 ASSI { 149} (( segid "RW16" and resid 11 and name HB1 )) (( segid "RW16" and resid 8 and name HA )) 3.100 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.15334E-02 ppm1 2.775 ppm2 3.755 CV 1 ASSI { 150} (( segid "RW16" and resid 11 and name HB1 )) (( segid "RW16" and resid 11 and name HN )) 3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.16203E-02 ppm1 2.780 ppm2 8.314 CV 1 ASSI { 153} (( segid "RW16" and resid 10 and name HB1 )) (( segid "RW16" and resid 10 and name HN )) 2.400 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.39108E-02 ppm1 2.817 ppm2 7.804 CV 1 ASSI { 160} (( segid "RW16" and resid 13 and name HD2 )) (( segid "RW16" and resid 13 and name HE )) 2.900 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.17505E-02 ppm1 2.860 ppm2 7.242 CV 1 OR { 160} (( segid "RW16" and resid 13 and name HD1 )) (( segid "RW16" and resid 13 and name HE )) ASSI { 161} (( segid "RW16" and resid 14 and name HB2 )) (( segid "RW16" and resid 14 and name HE3 )) 2.900 2.900 3.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.35975E-02 ppm1 2.886 ppm2 7.129 CV 1 ASSI { 162} (( segid "RW16" and resid 14 and name HB2 )) (( segid "RW16" and resid 14 and name HN )) 2.500 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.39710E-02 ppm1 2.895 ppm2 7.830 CV 1 ASSI { 163} (( segid "RW16" and resid 14 and name HB2 )) (( segid "RW16" and resid 14 and name HD1 )) 2.600 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.29405E-02 ppm1 2.899 ppm2 6.812 CV 1 ASSI { 164} (( segid "RW16" and resid 14 and name HB2 )) (( segid "RW16" and resid 15 and name HN )) 3.000 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.31177E-02 ppm1 2.903 ppm2 7.723 CV 1 ASSI { 167} (( segid "RW16" and resid 14 and name HB2 )) (( segid "RW16" and resid 14 and name HA )) 2.600 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.27091E-02 ppm1 2.908 ppm2 4.148 CV 1 ASSI { 171} (( segid "RW16" and resid 11 and name HB2 )) (( segid "RW16" and resid 11 and name HE3 )) 2.700 2.700 3.300 peak 171 spectrum 1 weight 0.10000E+01 volume 0.43341E-02 ppm1 2.934 ppm2 7.350 CV 1 ASSI { 172} (( segid "RW16" and resid 11 and name HB2 )) (( segid "RW16" and resid 11 and name HA )) 2.400 0.700 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.47384E-02 ppm1 2.934 ppm2 4.066 CV 1 ASSI { 173} (( segid "RW16" and resid 9 and name HD2 )) (( segid "RW16" and resid 9 and name HA )) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12873E-02 ppm1 2.937 ppm2 3.828 CV 1 OR { 173} (( segid "RW16" and resid 9 and name HD1 )) (( segid "RW16" and resid 9 and name HA )) ASSI { 174} (( segid "RW16" and resid 11 and name HB2 )) (( segid "RW16" and resid 11 and name HD1 )) 2.300 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.53690E-02 ppm1 2.941 ppm2 6.843 CV 1 ASSI { 175} (( segid "RW16" and resid 2 and name HD2 )) (( segid "RW16" and resid 2 and name HA )) 2.800 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.25241E-02 ppm1 2.944 ppm2 4.000 CV 1 OR { 175} (( segid "RW16" and resid 2 and name HD1 )) (( segid "RW16" and resid 2 and name HA )) ASSI { 176} (( segid "RW16" and resid 2 and name HD1 )) (( segid "RW16" and resid 2 and name HE )) 2.600 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.32693E-02 ppm1 2.945 ppm2 7.233 CV 1 OR { 176} (( segid "RW16" and resid 2 and name HD2 )) (( segid "RW16" and resid 2 and name HE )) ASSI { 184} (( segid "RW16" and resid 2 and name HD2 )) (( segid "RW16" and resid 2 and name HN )) 3.400 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.67232E-03 ppm1 2.973 ppm2 8.488 CV 1 OR { 184} (( segid "RW16" and resid 2 and name HD1 )) (( segid "RW16" and resid 2 and name HN )) ASSI { 187} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 10 and name HD1 )) 3.000 1.100 1.100 peak 187 spectrum 1 weight 0.10000E+01 volume 0.24138E-02 ppm1 2.981 ppm2 6.620 CV 1 ASSI { 188} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 10 and name HA )) 2.500 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.38209E-02 ppm1 2.981 ppm2 4.117 CV 1 ASSI { 189} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 10 and name HE3 )) 2.500 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.38922E-02 ppm1 2.982 ppm2 7.197 CV 1 ASSI { 190} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 6 and name HE1 )) 3.400 1.400 1.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.70096E-03 ppm1 2.985 ppm2 10.260 CV 1 OR { 190} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 6 and name HE1 )) ASSI { 193} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 10 and name HN )) 2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.46217E-02 ppm1 2.997 ppm2 7.807 CV 1 ASSI { 194} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 4 and name HA )) 2.300 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.49921E-02 ppm1 2.998 ppm2 3.760 CV 1 OR { 194} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 4 and name HA )) ASSI { 195} (( segid "RW16" and resid 8 and name HD2 )) (( segid "RW16" and resid 8 and name HG2 )) 2.200 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.77939E-02 ppm1 3.005 ppm2 1.400 CV 1 OR { 195} (( segid "RW16" and resid 8 and name HD1 )) (( segid "RW16" and resid 8 and name HG1 )) OR { 195} (( segid "RW16" and resid 8 and name HD1 )) (( segid "RW16" and resid 8 and name HG2 )) OR { 195} (( segid "RW16" and resid 8 and name HD2 )) (( segid "RW16" and resid 8 and name HG1 )) ASSI { 197} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 7 and name HZ2 )) 3.300 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.92275E-03 ppm1 3.005 ppm2 6.939 CV 1 OR { 197} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 7 and name HZ2 )) OR { 197} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 7 and name HH2 )) OR { 197} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 7 and name HH2 )) ASSI { 200} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 7 and name HE1 )) 4.100 2.100 1.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.28230E-03 ppm1 3.006 ppm2 9.632 CV 1 OR { 200} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 7 and name HE1 )) ASSI { 201} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 4 and name HE )) 2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.26954E-02 ppm1 3.006 ppm2 7.444 CV 1 OR { 201} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 4 and name HE )) ASSI { 205} (( segid "RW16" and resid 16 and name HD1 )) (( segid "RW16" and resid 16 and name HN )) 3.800 1.800 1.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.50343E-03 ppm1 3.022 ppm2 7.529 CV 1 OR { 205} (( segid "RW16" and resid 16 and name HD2 )) (( segid "RW16" and resid 16 and name HN )) ASSI { 206} (( segid "RW16" and resid 1 and name HD2 )) (( segid "RW16" and resid 1 and name HN )) 3.500 1.500 1.500 peak 206 spectrum 1 weight 0.10000E+01 volume 0.79103E-03 ppm1 3.034 ppm2 8.399 CV 1 OR { 206} (( segid "RW16" and resid 1 and name HD1 )) (( segid "RW16" and resid 1 and name HN )) ASSI { 210} (( segid "RW16" and resid 12 and name HD2 )) (( segid "RW16" and resid 12 and name HA )) 3.300 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.95627E-03 ppm1 3.039 ppm2 3.644 CV 1 OR { 210} (( segid "RW16" and resid 12 and name HD1 )) (( segid "RW16" and resid 12 and name HA )) ASSI { 211} (( segid "RW16" and resid 1 and name HD1 )) (( segid "RW16" and resid 1 and name HE )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 3.039 ppm2 7.376 CV 1 OR { 211} (( segid "RW16" and resid 1 and name HD2 )) (( segid "RW16" and resid 1 and name HE )) ASSI { 212} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 3 and name HE1 )) 3.500 1.600 1.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.77663E-03 ppm1 3.251 ppm2 10.476 CV 1 OR { 212} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 3 and name HE1 )) ASSI { 213} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 3 and name HD1 )) 2.300 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.69496E-02 ppm1 3.251 ppm2 7.071 CV 1 OR { 213} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 3 and name HD1 )) ASSI { 214} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 2 and name HN )) 4.200 2.200 1.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.32710E-03 ppm1 3.251 ppm2 8.490 CV 1 OR { 214} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 2 and name HN )) ASSI { 215} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 3 and name HN )) 2.200 0.600 0.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.82085E-02 ppm1 3.253 ppm2 7.627 CV 1 OR { 215} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 3 and name HN )) ASSI { 216} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 4 and name HN )) 2.800 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.22591E-02 ppm1 3.257 ppm2 7.761 CV 1 OR { 216} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 4 and name HN )) ASSI { 217} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 3 and name HE3 )) 2.000 0.500 0.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.16413E-01 ppm1 3.261 ppm2 7.336 CV 1 OR { 217} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 3 and name HE3 )) ASSI { 218} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 7 and name HA )) 3.000 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19767E-02 ppm1 3.261 ppm2 4.235 CV 1 ASSI { 219} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 7 and name HE1 )) 4.000 2.000 2.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.35646E-03 ppm1 3.266 ppm2 9.633 CV 1 ASSI { 220} (( segid "RW16" and resid 6 and name HB1 )) (( segid "RW16" and resid 7 and name HN )) 2.500 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.37552E-02 ppm1 3.269 ppm2 8.103 CV 1 OR { 220} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 7 and name HN )) ASSI { 221} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 6 and name HE1 )) 3.500 1.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.75481E-03 ppm1 3.271 ppm2 10.259 CV 1 OR { 221} (( segid "RW16" and resid 6 and name HB1 )) (( segid "RW16" and resid 6 and name HE1 )) ASSI { 222} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 4 and name HA )) 2.400 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.30791E-02 ppm1 3.274 ppm2 3.761 CV 1 ASSI { 223} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 7 and name HE3 )) 3.200 1.300 1.300 peak 223 spectrum 1 weight 0.10000E+01 volume 0.31925E-02 ppm1 3.275 ppm2 7.421 CV 1 ASSI { 224} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 7 and name HD1 )) 2.300 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.49164E-02 ppm1 3.276 ppm2 7.041 CV 1 ASSI { 225} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 6 and name HD1 )) 2.300 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.75263E-02 ppm1 3.276 ppm2 7.157 CV 1 OR { 225} (( segid "RW16" and resid 6 and name HB1 )) (( segid "RW16" and resid 6 and name HD1 )) ASSI { 226} (( segid "RW16" and resid 6 and name HB1 )) (( segid "RW16" and resid 6 and name HN )) 2.100 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.11137E-01 ppm1 3.277 ppm2 7.699 CV 1 OR { 226} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 6 and name HN )) ASSI { 229} (( segid "RW16" and resid 6 and name HB1 )) (( segid "RW16" and resid 6 and name HE3 )) 2.000 0.500 0.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.17251E-01 ppm1 3.281 ppm2 7.336 CV 1 OR { 229} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 6 and name HE3 )) ASSI { 230} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 7 and name HN )) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.37420E-02 ppm1 3.281 ppm2 8.099 CV 1 ASSI { 231} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 8 and name HN )) 2.600 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.22305E-02 ppm1 3.281 ppm2 7.801 CV 1 ASSI { 235} (( segid "RW16" and resid 7 and name HB2 )) (( segid "RW16" and resid 7 and name HA )) 2.800 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.17562E-02 ppm1 3.349 ppm2 4.237 CV 1 ASSI { 236} (( segid "RW16" and resid 7 and name HB2 )) (( segid "RW16" and resid 7 and name HN )) 2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.23807E-02 ppm1 3.363 ppm2 8.103 CV 1 ASSI { 237} (( segid "RW16" and resid 7 and name HB2 )) (( segid "RW16" and resid 8 and name HN )) 3.500 1.500 1.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.13759E-02 ppm1 3.370 ppm2 7.800 CV 1 ASSI { 238} (( segid "RW16" and resid 7 and name HB2 )) (( segid "RW16" and resid 7 and name HD1 )) 2.900 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.32003E-02 ppm1 3.377 ppm2 7.041 CV 1 ASSI { 239} (( segid "RW16" and resid 7 and name HB2 )) (( segid "RW16" and resid 7 and name HE3 )) 2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.35460E-02 ppm1 3.379 ppm2 7.421 CV 1 ASSI { 240} (( segid "RW16" and resid 7 and name HB2 )) (( segid "RW16" and resid 3 and name HE3 )) 2.700 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.23452E-02 ppm1 3.380 ppm2 7.335 CV 1 ASSI { 241} (( segid "RW16" and resid 15 and name HA )) (( segid "RW16" and resid 16 and name HN )) 2.700 0.900 0.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.30732E-02 ppm1 3.628 ppm2 7.537 CV 1 ASSI { 242} (( segid "RW16" and resid 15 and name HA )) (( segid "RW16" and resid 15 and name HN )) 2.400 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.53045E-02 ppm1 3.631 ppm2 7.723 CV 1 ASSI { 245} (( segid "RW16" and resid 15 and name HA )) (( segid "RW16" and resid 15 and name HE )) 3.400 1.500 1.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 3.632 ppm2 7.122 CV 1 ASSI { 246} (( segid "RW16" and resid 15 and name HA )) (( segid "RW16" and resid 15 and name HG1 )) 2.600 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.33469E-02 ppm1 3.633 ppm2 1.071 CV 1 OR { 246} (( segid "RW16" and resid 15 and name HA )) (( segid "RW16" and resid 15 and name HG2 )) ASSI { 251} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 12 and name HN )) 3.000 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.14024E-02 ppm1 3.656 ppm2 7.500 CV 1 ASSI { 253} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 4 and name HN )) 2.700 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.22969E-02 ppm1 3.758 ppm2 7.762 CV 1 ASSI { 258} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 258 spectrum 1 weight 0.10000E+01 volume 0.12389E-02 ppm1 3.762 ppm2 3.377 CV 1 ASSI { 261} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 5 and name HN )) 2.600 0.800 0.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.31794E-02 ppm1 3.765 ppm2 7.823 CV 1 ASSI { 265} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 3 and name HE3 )) 2.800 1.000 1.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.19366E-02 ppm1 3.767 ppm2 7.337 CV 1 ASSI { 271} (( segid "RW16" and resid 9 and name HA )) (( segid "RW16" and resid 9 and name HN )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.37476E-02 ppm1 3.829 ppm2 7.554 CV 1 ASSI { 274} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 6 and name HN )) 2.900 1.000 1.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.18918E-02 ppm1 3.901 ppm2 7.700 CV 1 ASSI { 277} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 8 and name HG1 )) 2.700 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.23854E-02 ppm1 3.903 ppm2 1.374 CV 1 OR { 277} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 8 and name HG2 )) ASSI { 278} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HN )) 2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.47172E-02 ppm1 3.904 ppm2 7.823 CV 1 ASSI { 279} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HN )) 2.500 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.40282E-02 ppm1 3.918 ppm2 7.359 CV 1 ASSI { 280} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 1 and name HN )) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.53169E-02 ppm1 3.931 ppm2 8.399 CV 1 ASSI { 282} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 2 and name HN )) 2.300 0.700 0.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.57370E-02 ppm1 3.938 ppm2 8.490 CV 1 ASSI { 283} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 3 and name HE1 )) 3.700 1.700 1.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.42226E-03 ppm1 3.938 ppm2 10.479 CV 1 ASSI { 285} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 4 and name HN )) 3.300 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.74070E-03 ppm1 3.942 ppm2 7.757 CV 1 ASSI { 289} (( segid "RW16" and resid 16 and name HA )) (( segid "RW16" and resid 16 and name HN )) 2.600 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.33385E-02 ppm1 3.966 ppm2 7.539 CV 1 ASSI { 293} (( segid "RW16" and resid 2 and name HA )) (( segid "RW16" and resid 3 and name HD1 )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.79823E-03 ppm1 3.979 ppm2 7.071 CV 1 ASSI { 295} (( segid "RW16" and resid 2 and name HA )) (( segid "RW16" and resid 3 and name HN )) 2.600 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.34150E-02 ppm1 3.995 ppm2 7.627 CV 1 ASSI { 296} (( segid "RW16" and resid 2 and name HA )) (( segid "RW16" and resid 2 and name HN )) 2.500 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.39195E-02 ppm1 4.000 ppm2 8.490 CV 1 ASSI { 297} (( segid "RW16" and resid 11 and name HA )) (( segid "RW16" and resid 11 and name HD1 )) 2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 4.070 ppm2 6.846 CV 1 ASSI { 302} (( segid "RW16" and resid 10 and name HA )) (( segid "RW16" and resid 10 and name HE3 )) 2.600 0.900 0.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.33449E-02 ppm1 4.111 ppm2 7.197 CV 1 ASSI { 303} (( segid "RW16" and resid 10 and name HA )) (( segid "RW16" and resid 10 and name HE1 )) 4.400 2.400 1.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.18763E-03 ppm1 4.115 ppm2 9.366 CV 1 ASSI { 305} (( segid "RW16" and resid 10 and name HA )) (( segid "RW16" and resid 10 and name HN )) 2.600 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.28479E-02 ppm1 4.119 ppm2 7.805 CV 1 ASSI { 312} (( segid "RW16" and resid 14 and name HA )) (( segid "RW16" and resid 15 and name HN )) 2.600 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.34360E-02 ppm1 4.148 ppm2 7.723 CV 1 ASSI { 313} (( segid "RW16" and resid 14 and name HA )) (( segid "RW16" and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.31331E-02 ppm1 4.148 ppm2 2.669 CV 1 ASSI { 314} (( segid "RW16" and resid 14 and name HA )) (( segid "RW16" and resid 14 and name HN )) 2.600 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.30955E-02 ppm1 4.153 ppm2 7.832 CV 1 ASSI { 315} (( segid "RW16" and resid 14 and name HA )) (( segid "RW16" and resid 14 and name HD1 )) 2.500 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.42321E-02 ppm1 4.153 ppm2 6.816 CV 1 ASSI { 316} (( segid "RW16" and resid 7 and name HA )) (( segid "RW16" and resid 10 and name HE1 )) 4.200 2.200 1.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.23563E-03 ppm1 4.238 ppm2 9.369 CV 1 ASSI { 317} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 7 and name HB2 )) 2.900 2.900 3.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.31083E-02 ppm1 4.238 ppm2 3.376 CV 1 ASSI { 318} (( segid "RW16" and resid 7 and name HA )) (( segid "RW16" and resid 7 and name HD1 )) 3.100 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 4.238 ppm2 7.041 CV 1 ASSI { 319} (( segid "RW16" and resid 7 and name HA )) (( segid "RW16" and resid 7 and name HE3 )) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.41926E-02 ppm1 4.239 ppm2 7.421 CV 1 ASSI { 321} (( segid "RW16" and resid 7 and name HA )) (( segid "RW16" and resid 7 and name HN )) 2.900 1.000 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 4.250 ppm2 8.102 CV 1 ASSI { 322} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 6 and name HE3 )) 2.900 2.900 3.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.41428E-02 ppm1 4.256 ppm2 7.339 CV 1 ASSI { 323} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 9 and name HN )) 3.000 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 4.257 ppm2 7.549 CV 1 ASSI { 324} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 6 and name HB2 )) 2.300 0.600 0.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.75495E-02 ppm1 4.260 ppm2 3.281 CV 1 OR { 324} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 6 and name HB1 )) ASSI { 325} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 6 and name HE1 )) 4.000 2.000 2.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.48389E-03 ppm1 4.262 ppm2 10.259 CV 1 ASSI { 326} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 6 and name HD1 )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.55955E-02 ppm1 4.267 ppm2 7.157 CV 1 ASSI { 327} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 6 and name HN )) 2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.41120E-02 ppm1 4.268 ppm2 7.699 CV 1 ASSI { 328} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 3 and name HB1 )) 2.300 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.69951E-02 ppm1 4.440 ppm2 3.251 CV 1 OR { 328} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 3 and name HB2 )) ASSI { 329} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 6 and name HN )) 3.100 1.200 1.200 peak 329 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 4.442 ppm2 7.699 CV 1 ASSI { 330} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 6 and name HE1 )) 3.900 1.900 1.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.30237E-03 ppm1 4.442 ppm2 10.263 CV 1 ASSI { 331} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 3 and name HD1 )) 2.800 2.800 3.200 peak 331 spectrum 1 weight 0.10000E+01 volume 0.42102E-02 ppm1 4.443 ppm2 7.071 CV 1 ASSI { 332} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 3 and name HN )) 2.600 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.29200E-02 ppm1 4.444 ppm2 7.626 CV 1 ASSI { 334} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 3 and name HE3 )) 2.700 2.700 3.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.50662E-02 ppm1 4.445 ppm2 7.337 CV 1 ASSI { 335} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 4 and name HN )) 3.100 1.200 1.200 peak 335 spectrum 1 weight 0.10000E+01 volume 0.10702E-02 ppm1 4.447 ppm2 7.759 CV 1 ASSI { 336} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 6 and name HZ2 )) 3.000 3.000 3.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.15916E-02 ppm1 4.448 ppm2 7.156 CV 1 OR { 336} (( segid "RW16" and resid 3 and name HA )) (( segid "RW16" and resid 6 and name HD1 )) ASSI { 337} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 15 and name HD1 )) 3.000 1.100 1.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.14514E-02 ppm1 6.616 ppm2 2.658 CV 1 OR { 337} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 15 and name HD2 )) ASSI { 338} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 10 and name HN )) 3.500 1.600 1.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.92885E-03 ppm1 6.625 ppm2 7.807 CV 1 ASSI { 339} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 10 and name HA )) 3.300 1.300 1.300 peak 339 spectrum 1 weight 0.10000E+01 volume 0.11017E-02 ppm1 6.625 ppm2 4.121 CV 1 ASSI { 345} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 6 and name HE1 )) 3.700 3.700 2.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.48852E-03 ppm1 6.635 ppm2 10.260 CV 1 ASSI { 350} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 3 and name HE3 )) 2.000 0.500 0.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.16710E-01 ppm1 6.646 ppm2 7.338 CV 1 ASSI { 353} (( segid "RW16" and resid 10 and name HH2 )) (( segid "RW16" and resid 10 and name HZ2 )) 2.300 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.62322E-02 ppm1 6.751 ppm2 7.014 CV 1 ASSI { 354} (( segid "RW16" and resid 10 and name HZ3 )) (( segid "RW16" and resid 10 and name HE3 )) 2.100 0.600 0.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10585E-01 ppm1 6.778 ppm2 7.177 CV 1 ASSI { 355} (( segid "RW16" and resid 6 and name HH2 )) (( segid "RW16" and resid 6 and name HE1 )) 4.100 2.100 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.41297E-03 ppm1 6.778 ppm2 10.261 CV 1 ASSI { 356} (( segid "RW16" and resid 6 and name HH2 )) (( segid "RW16" and resid 6 and name HZ2 )) 2.000 0.500 0.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.14319E-01 ppm1 6.785 ppm2 7.196 CV 1 ASSI { 358} (( segid "RW16" and resid 7 and name HZ3 )) (( segid "RW16" and resid 7 and name HE3 )) 2.100 0.600 0.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.11196E-01 ppm1 6.793 ppm2 7.420 CV 1 ASSI { 361} (( segid "RW16" and resid 7 and name HZ3 )) (( segid "RW16" and resid 7 and name HB2 )) 4.200 2.200 1.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.32724E-03 ppm1 6.798 ppm2 3.377 CV 1 ASSI { 362} (( segid "RW16" and resid 14 and name HD1 )) (( segid "RW16" and resid 15 and name HN )) 3.600 3.600 2.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.80368E-03 ppm1 6.804 ppm2 7.723 CV 1 ASSI { 365} (( segid "RW16" and resid 14 and name HD1 )) (( segid "RW16" and resid 14 and name HN )) 3.600 1.700 1.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.68371E-03 ppm1 6.816 ppm2 7.830 CV 1 ASSI { 367} (( segid "RW16" and resid 7 and name HZ3 )) (( segid "RW16" and resid 7 and name HZ2 )) 2.100 2.100 3.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.20507E-01 ppm1 6.819 ppm2 6.934 CV 1 ASSI { 370} (( segid "RW16" and resid 14 and name HZ3 )) (( segid "RW16" and resid 15 and name HA )) 3.500 1.500 1.500 peak 370 spectrum 1 weight 0.10000E+01 volume 0.67606E-03 ppm1 6.828 ppm2 3.628 CV 1 ASSI { 375} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 11 and name HE3 )) 2.100 0.600 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.11268E-01 ppm1 6.839 ppm2 7.356 CV 1 ASSI { 376} (( segid "RW16" and resid 14 and name HZ3 )) (( segid "RW16" and resid 14 and name HE3 )) 2.200 0.600 0.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.74419E-02 ppm1 6.839 ppm2 7.129 CV 1 ASSI { 380} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 12 and name HA )) 3.600 1.600 1.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.61377E-03 ppm1 6.841 ppm2 3.648 CV 1 ASSI { 382} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 11 and name HH2 )) 2.200 0.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.92769E-02 ppm1 6.846 ppm2 7.014 CV 1 ASSI { 384} (( segid "RW16" and resid 3 and name HH2 )) (( segid "RW16" and resid 3 and name HE1 )) 3.900 1.900 1.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.55075E-03 ppm1 6.848 ppm2 10.477 CV 1 ASSI { 385} (( segid "RW16" and resid 3 and name HH2 )) (( segid "RW16" and resid 3 and name HZ2 )) 2.100 0.500 0.500 peak 385 spectrum 1 weight 0.10000E+01 volume 0.13444E-01 ppm1 6.853 ppm2 7.295 CV 1 ASSI { 386} (( segid "RW16" and resid 3 and name HH2 )) (( segid "RW16" and resid 3 and name HZ3 )) 2.200 0.600 0.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.84143E-02 ppm1 6.860 ppm2 6.626 CV 1 ASSI { 387} (( segid "RW16" and resid 14 and name HH2 )) (( segid "RW16" and resid 14 and name HZ2 )) 2.200 0.600 0.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.81263E-02 ppm1 6.921 ppm2 7.269 CV 1 ASSI { 389} (( segid "RW16" and resid 11 and name HH2 )) (( segid "RW16" and resid 16 and name HA )) 3.300 3.300 2.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.10881E-02 ppm1 6.978 ppm2 3.970 CV 1 ASSI { 392} (( segid "RW16" and resid 11 and name HH2 )) (( segid "RW16" and resid 11 and name HZ2 )) 2.000 0.500 0.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.14499E-01 ppm1 7.023 ppm2 7.341 CV 1 ASSI { 397} (( segid "RW16" and resid 7 and name HD1 )) (( segid "RW16" and resid 7 and name HN )) 4.000 2.000 2.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.49460E-03 ppm1 7.047 ppm2 8.103 CV 1 ASSI { 400} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 3 and name HE1 )) 2.100 0.500 0.500 peak 400 spectrum 1 weight 0.10000E+01 volume 0.12993E-01 ppm1 7.068 ppm2 10.477 CV 1 ASSI { 415} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 15 and name HA )) 3.300 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.74601E-03 ppm1 7.124 ppm2 3.627 CV 1 ASSI { 416} (( segid "RW16" and resid 15 and name HE )) (( segid "RW16" and resid 10 and name HZ2 )) 1.600 0.300 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.45831E-01 ppm1 7.125 ppm2 6.971 CV 1 ASSI { 417} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 14 and name HA )) 3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.10534E-02 ppm1 7.126 ppm2 4.152 CV 1 ASSI { 420} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 6 and name HN )) 3.000 1.100 1.100 peak 420 spectrum 1 weight 0.10000E+01 volume 0.14203E-02 ppm1 7.153 ppm2 7.705 CV 1 ASSI { 421} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 11 and name HA )) 3.500 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 7.154 ppm2 4.067 CV 1 ASSI { 422} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 6 and name HE1 )) 2.000 0.500 0.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.15127E-01 ppm1 7.162 ppm2 10.261 CV 1 ASSI { 430} (( segid "RW16" and resid 10 and name HE3 )) (( segid "RW16" and resid 11 and name HA )) 3.300 3.300 2.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.92820E-03 ppm1 7.195 ppm2 4.066 CV 1 ASSI { 449} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 11 and name HA )) 2.500 0.800 0.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.37402E-02 ppm1 7.351 ppm2 4.067 CV 1 ASSI { 450} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 9 and name HA )) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.39517E-03 ppm1 7.355 ppm2 3.827 CV 1 ASSI { 456} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 15 and name HB1 )) 3.300 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.98406E-03 ppm1 7.361 ppm2 1.360 CV 1 OR { 456} (( segid "RW16" and resid 11 and name HZ2 )) (( segid "RW16" and resid 15 and name HB1 )) ASSI { 460} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 12 and name HA )) 3.100 1.200 1.200 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11842E-02 ppm1 7.364 ppm2 3.644 CV 1 ASSI { 462} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 10 and name HA )) 3.300 1.400 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.84732E-03 ppm1 7.374 ppm2 4.120 CV 1 ASSI { 473} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 11 and name HB1 )) 3.100 1.200 1.200 peak 473 spectrum 1 weight 0.10000E+01 volume 0.98769E-03 ppm1 7.501 ppm2 2.773 CV 1 ASSI { 474} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 11 and name HA )) 3.100 1.200 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 7.504 ppm2 4.066 CV 1 ASSI { 475} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 11 and name HN )) 3.300 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.80157E-03 ppm1 7.505 ppm2 8.312 CV 1 ASSI { 479} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HG2 )) 3.800 1.800 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.55507E-03 ppm1 7.527 ppm2 1.074 CV 1 OR { 479} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HG1 )) ASSI { 480} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HN )) 2.600 0.800 0.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.32641E-02 ppm1 7.534 ppm2 7.723 CV 1 ASSI { 495} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 8 and name HA )) 2.800 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.20784E-02 ppm1 7.560 ppm2 3.759 CV 1 ASSI { 498} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 4 and name HN )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.18891E-02 ppm1 7.619 ppm2 7.762 CV 1 ASSI { 499} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 3 and name HE1 )) 4.100 2.100 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.43335E-03 ppm1 7.624 ppm2 10.478 CV 1 ASSI { 500} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 2 and name HN )) 2.700 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.23488E-02 ppm1 7.624 ppm2 8.489 CV 1 ASSI { 503} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 3 and name HD1 )) 2.300 0.700 0.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.55133E-02 ppm1 7.631 ppm2 7.071 CV 1 ASSI { 507} (( segid "RW16" and resid 6 and name HN )) (( segid "RW16" and resid 5 and name HN )) 2.500 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.36137E-02 ppm1 7.701 ppm2 7.823 CV 1 ASSI { 516} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 12 and name HA )) 3.100 3.100 2.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.13081E-02 ppm1 7.729 ppm2 3.650 CV 1 ASSI { 520} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 11 and name HA )) 3.500 1.500 1.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.54852E-03 ppm1 7.736 ppm2 4.068 CV 1 ASSI { 530} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 8 and name HA )) 2.200 0.600 0.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.84550E-02 ppm1 7.794 ppm2 3.759 CV 1 ASSI { 535} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 7 and name HA )) 3.300 1.300 1.300 peak 535 spectrum 1 weight 0.10000E+01 volume 0.86500E-03 ppm1 7.803 ppm2 4.237 CV 1 ASSI { 538} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 9 and name HA )) 3.100 1.200 1.200 peak 538 spectrum 1 weight 0.10000E+01 volume 0.12271E-02 ppm1 7.806 ppm2 3.826 CV 1 ASSI { 547} (( segid "RW16" and resid 14 and name HN )) (( segid "RW16" and resid 11 and name HA )) 3.300 1.300 1.300 peak 547 spectrum 1 weight 0.10000E+01 volume 0.83976E-03 ppm1 7.820 ppm2 4.066 CV 1 ASSI { 558} (( segid "RW16" and resid 7 and name HN )) (( segid "RW16" and resid 4 and name HA )) 3.200 1.300 1.300 peak 558 spectrum 1 weight 0.10000E+01 volume 0.11668E-02 ppm1 8.100 ppm2 3.761 CV 1 ASSI { 559} (( segid "RW16" and resid 7 and name HN )) (( segid "RW16" and resid 6 and name HN )) 2.600 0.800 0.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.31972E-02 ppm1 8.100 ppm2 7.699 CV 1 ASSI { 563} (( segid "RW16" and resid 7 and name HN )) (( segid "RW16" and resid 8 and name HN )) 2.900 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16304E-02 ppm1 8.116 ppm2 7.800 CV 1 ASSI { 564} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 11 and name HD1 )) 3.800 1.800 1.800 peak 564 spectrum 1 weight 0.10000E+01 volume 0.70996E-03 ppm1 8.303 ppm2 6.844 CV 1 ASSI { 565} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 10 and name HA )) 3.800 1.800 1.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.32385E-03 ppm1 8.309 ppm2 4.122 CV 1 ASSI { 568} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 11 and name HA )) 2.900 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.17250E-02 ppm1 8.313 ppm2 4.067 CV 1 ASSI { 570} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 8 and name HA )) 3.300 1.300 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.87976E-03 ppm1 8.316 ppm2 3.757 CV 1 ASSI { 571} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 571 spectrum 1 weight 0.10000E+01 volume 0.19933E-02 ppm1 8.317 ppm2 2.935 CV 1 ASSI { 572} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 10 and name HN )) 2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 8.321 ppm2 7.805 CV 1 ASSI { 589} (( segid "RW16" and resid 10 and name HE1 )) (( segid "RW16" and resid 10 and name HD1 )) 2.300 0.700 0.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.61625E-02 ppm1 9.370 ppm2 6.621 CV 1 ASSI { 590} (( segid "RW16" and resid 10 and name HE1 )) (( segid "RW16" and resid 10 and name HZ2 )) 2.500 0.800 0.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.37996E-02 ppm1 9.371 ppm2 7.011 CV 1 ASSI { 593} (( segid "RW16" and resid 7 and name HE1 )) (( segid "RW16" and resid 7 and name HZ2 )) 2.500 0.800 0.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.47988E-02 ppm1 9.634 ppm2 6.941 CV 1 ASSI { 594} (( segid "RW16" and resid 7 and name HE1 )) (( segid "RW16" and resid 7 and name HD1 )) 2.100 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.10880E-01 ppm1 9.635 ppm2 7.041 CV 1 ASSI { 604} (( segid "RW16" and resid 6 and name HE1 )) (( segid "RW16" and resid 6 and name HZ2 )) 2.300 0.600 0.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.80594E-02 ppm1 10.265 ppm2 7.174 CV 1 ASSI { 608} (( segid "RW16" and resid 3 and name HE1 )) (( segid "RW16" and resid 3 and name HZ2 )) 2.300 0.700 0.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.68536E-02 ppm1 10.478 ppm2 7.292 CV 1 !!ambig.tbl ASSI { 8} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 10 and name HZ2 )) 4.000 2.000 2.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.40585E-03 ppm1 1.074 ppm2 7.015 CV 1 OR { 8} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 11 and name HH2 )) OR { 8} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 10 and name HZ2 )) OR { 8} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 11 and name HH2 )) ASSI { 11} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 14 and name HZ3 )) 3.000 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.14218E-02 ppm1 1.081 ppm2 6.812 CV 1 OR { 11} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 14 and name HZ3 )) OR { 11} (( segid "RW16" and resid 15 and name HG2 )) (( segid "RW16" and resid 11 and name HZ3 )) OR { 11} (( segid "RW16" and resid 15 and name HG1 )) (( segid "RW16" and resid 11 and name HZ3 )) ASSI { 16} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 3 and name HD1 )) 2.700 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.30157E-02 ppm1 1.258 ppm2 7.071 CV 1 OR { 16} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 16} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 16} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 7 and name HD1 )) OR { 16} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 7 and name HD1 )) ASSI { 18} (( segid "RW16" and resid 0 and name HG1 )) (( segid "RW16" and resid 0 and name HD1 )) 2.100 0.500 0.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.11028E-01 ppm1 1.263 ppm2 2.946 CV 1 OR { 18} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 2 and name HD1 )) OR { 18} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 18} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 18} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 18} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 18} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 2 and name HD2 )) OR { 18} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 2 and name HD2 )) OR { 18} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 2 and name HD1 )) OR { 18} (( segid "RW16" and resid 0 and name HG2 )) (( segid "RW16" and resid 0 and name HD1 )) OR { 18} (( segid "RW16" and resid 0 and name HG2 )) (( segid "RW16" and resid 0 and name HD2 )) ASSI { 22} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 3 and name HZ3 )) 3.400 1.400 1.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.88994E-03 ppm1 1.269 ppm2 6.626 CV 1 OR { 22} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 3 and name HZ3 )) OR { 22} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 6 and name HZ3 )) OR { 22} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 6 and name HZ3 )) ASSI { 23} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 1 and name HA )) 3.200 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10183E-02 ppm1 1.270 ppm2 3.927 CV 1 OR { 23} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 1 and name HA )) OR { 23} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 1 and name HA )) OR { 23} (( segid "RW16" and resid 0 and name HG2 )) (( segid "RW16" and resid 1 and name HA )) OR { 23} (( segid "RW16" and resid 0 and name HG1 )) (( segid "RW16" and resid 1 and name HA )) OR { 23} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 1 and name HA )) OR { 23} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 5 and name HA )) ASSI { 24} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 3 and name HE1 )) 3.200 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 1.274 ppm2 10.477 CV 1 OR { 24} (( segid "RW16" and resid 0 and name HG2 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 24} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 24} (( segid "RW16" and resid 0 and name HG1 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 24} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 3 and name HE1 )) ASSI { 25} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HD1 )) 2.300 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.63436E-02 ppm1 1.275 ppm2 2.969 CV 1 OR { 25} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HD2 )) OR { 25} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 2 and name HD1 )) OR { 25} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 25} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 25} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 25} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 25} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 2 and name HD2 )) OR { 25} (( segid "RW16" and resid 2 and name HG1 )) (( segid "RW16" and resid 2 and name HD2 )) OR { 25} (( segid "RW16" and resid 2 and name HG2 )) (( segid "RW16" and resid 2 and name HD1 )) OR { 25} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 4 and name HD1 )) ASSI { 31} (( segid "RW16" and resid 15 and name HB1 )) (( segid "RW16" and resid 11 and name HE3 )) 3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.14240E-02 ppm1 1.287 ppm2 7.338 CV 1 OR { 31} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 3 and name HE3 )) OR { 31} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 3 and name HE3 )) OR { 31} (( segid "RW16" and resid 15 and name HB1 )) (( segid "RW16" and resid 11 and name HZ2 )) OR { 31} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 13 and name HN )) ASSI { 37} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 4 and name HN )) 3.200 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10401E-02 ppm1 1.301 ppm2 7.818 CV 1 OR { 37} (( segid "RW16" and resid 4 and name HG1 )) (( segid "RW16" and resid 4 and name HN )) OR { 37} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 10 and name HN )) OR { 37} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 10 and name HN )) OR { 37} (( segid "RW16" and resid 4 and name HG2 )) (( segid "RW16" and resid 5 and name HN )) ASSI { 38} (( segid "RW16" and resid 0 and name HG1 )) (( segid "RW16" and resid 0 and name HD1 )) 2.300 0.600 0.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.71594E-02 ppm1 1.309 ppm2 2.923 CV 1 OR { 38} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 38} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 38} (( segid "RW16" and resid 9 and name HG2 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 38} (( segid "RW16" and resid 9 and name HG1 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 38} (( segid "RW16" and resid 0 and name HG1 )) (( segid "RW16" and resid 0 and name HD2 )) OR { 38} (( segid "RW16" and resid 0 and name HG2 )) (( segid "RW16" and resid 0 and name HD1 )) OR { 38} (( segid "RW16" and resid 0 and name HG2 )) (( segid "RW16" and resid 0 and name HD2 )) ASSI { 43} (( segid "RW16" and resid 8 and name HG2 )) (( segid "RW16" and resid 7 and name HD1 )) 3.100 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.12321E-02 ppm1 1.400 ppm2 7.039 CV 1 OR { 43} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 11 and name HH2 )) OR { 43} (( segid "RW16" and resid 8 and name HG1 )) (( segid "RW16" and resid 7 and name HD1 )) OR { 43} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 10 and name HZ2 )) ASSI { 48} (( segid "RW16" and resid 0 and name HB2 )) (( segid "RW16" and resid 0 and name HE )) 3.800 1.800 1.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.43091E-03 ppm1 1.419 ppm2 7.157 CV 1 OR { 48} (( segid "RW16" and resid 0 and name HB1 )) (( segid "RW16" and resid 0 and name HE )) OR { 48} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 14 and name HE3 )) OR { 48} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 6 and name HD1 )) OR { 48} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 15 and name HE )) ASSI { 51} (( segid "RW16" and resid 8 and name HG2 )) (( segid "RW16" and resid 8 and name HN )) 2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.23815E-02 ppm1 1.423 ppm2 7.823 CV 1 OR { 51} (( segid "RW16" and resid 8 and name HG1 )) (( segid "RW16" and resid 8 and name HN )) OR { 51} (( segid "RW16" and resid 5 and name HG1 )) (( segid "RW16" and resid 5 and name HN )) OR { 51} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 5 and name HN )) OR { 51} (( segid "RW16" and resid 13 and name HG1 )) (( segid "RW16" and resid 14 and name HN )) ASSI { 56} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 11 and name HZ3 )) 3.000 1.100 1.100 peak 56 spectrum 1 weight 0.10000E+01 volume 0.17086E-02 ppm1 1.448 ppm2 6.845 CV 1 OR { 56} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 14 and name HZ3 )) OR { 56} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 11 and name HD1 )) ASSI { 57} (( segid "RW16" and resid 15 and name HB2 )) (( segid "RW16" and resid 16 and name HN )) 3.500 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.52097E-03 ppm1 1.451 ppm2 7.502 CV 1 OR { 57} (( segid "RW16" and resid 12 and name HG2 )) (( segid "RW16" and resid 12 and name HN )) OR { 57} (( segid "RW16" and resid 12 and name HG1 )) (( segid "RW16" and resid 12 and name HN )) ASSI { 59} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 5 and name HD1 )) 2.000 0.500 0.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.15227E-01 ppm1 1.464 ppm2 3.011 CV 1 OR { 59} (( segid "RW16" and resid 12 and name HG1 )) (( segid "RW16" and resid 12 and name HD1 )) OR { 59} (( segid "RW16" and resid 5 and name HG1 )) (( segid "RW16" and resid 5 and name HD2 )) OR { 59} (( segid "RW16" and resid 12 and name HG2 )) (( segid "RW16" and resid 12 and name HD2 )) OR { 59} (( segid "RW16" and resid 12 and name HG1 )) (( segid "RW16" and resid 12 and name HD2 )) OR { 59} (( segid "RW16" and resid 12 and name HG2 )) (( segid "RW16" and resid 12 and name HD1 )) OR { 59} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 5 and name HD2 )) OR { 59} (( segid "RW16" and resid 5 and name HG1 )) (( segid "RW16" and resid 5 and name HD1 )) ASSI { 60} (( segid "RW16" and resid 13 and name HG2 )) (( segid "RW16" and resid 13 and name HD2 )) 2.400 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.58051E-02 ppm1 1.471 ppm2 2.926 CV 1 OR { 60} (( segid "RW16" and resid 13 and name HG1 )) (( segid "RW16" and resid 13 and name HD1 )) OR { 60} (( segid "RW16" and resid 13 and name HG1 )) (( segid "RW16" and resid 13 and name HD2 )) OR { 60} (( segid "RW16" and resid 13 and name HG2 )) (( segid "RW16" and resid 13 and name HD1 )) OR { 60} (( segid "RW16" and resid 0 and name HB1 )) (( segid "RW16" and resid 0 and name HD2 )) OR { 60} (( segid "RW16" and resid 0 and name HB2 )) (( segid "RW16" and resid 0 and name HD2 )) OR { 60} (( segid "RW16" and resid 9 and name HB1 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 60} (( segid "RW16" and resid 9 and name HB1 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 60} (( segid "RW16" and resid 0 and name HB2 )) (( segid "RW16" and resid 0 and name HD1 )) OR { 60} (( segid "RW16" and resid 0 and name HB1 )) (( segid "RW16" and resid 0 and name HD1 )) OR { 60} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 2 and name HD2 )) ASSI { 62} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 5 and name HD1 )) 2.100 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.97373E-02 ppm1 1.483 ppm2 3.036 CV 1 OR { 62} (( segid "RW16" and resid 12 and name HG1 )) (( segid "RW16" and resid 12 and name HD1 )) OR { 62} (( segid "RW16" and resid 1 and name HG1 )) (( segid "RW16" and resid 1 and name HD1 )) OR { 62} (( segid "RW16" and resid 16 and name HG1 )) (( segid "RW16" and resid 16 and name HD1 )) OR { 62} (( segid "RW16" and resid 5 and name HG1 )) (( segid "RW16" and resid 5 and name HD2 )) OR { 62} (( segid "RW16" and resid 1 and name HG2 )) (( segid "RW16" and resid 1 and name HD2 )) OR { 62} (( segid "RW16" and resid 12 and name HG2 )) (( segid "RW16" and resid 12 and name HD2 )) OR { 62} (( segid "RW16" and resid 12 and name HG1 )) (( segid "RW16" and resid 12 and name HD2 )) OR { 62} (( segid "RW16" and resid 12 and name HG2 )) (( segid "RW16" and resid 12 and name HD1 )) OR { 62} (( segid "RW16" and resid 1 and name HG2 )) (( segid "RW16" and resid 1 and name HD1 )) OR { 62} (( segid "RW16" and resid 1 and name HG1 )) (( segid "RW16" and resid 1 and name HD2 )) OR { 62} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 5 and name HD2 )) OR { 62} (( segid "RW16" and resid 5 and name HG1 )) (( segid "RW16" and resid 5 and name HD1 )) OR { 62} (( segid "RW16" and resid 16 and name HG2 )) (( segid "RW16" and resid 16 and name HD1 )) OR { 62} (( segid "RW16" and resid 16 and name HG1 )) (( segid "RW16" and resid 16 and name HD2 )) ASSI { 64} (( segid "RW16" and resid 5 and name HG2 )) (( segid "RW16" and resid 6 and name HE1 )) 3.500 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.62211E-03 ppm1 1.491 ppm2 10.260 CV 1 OR { 64} (( segid "RW16" and resid 5 and name HG1 )) (( segid "RW16" and resid 6 and name HE1 )) OR { 64} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 6 and name HE1 )) ASSI { 70} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 2 and name HA )) 2.400 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.66117E-02 ppm1 1.540 ppm2 3.999 CV 1 OR { 70} (( segid "RW16" and resid 16 and name HG1 )) (( segid "RW16" and resid 16 and name HA )) OR { 70} (( segid "RW16" and resid 16 and name HG2 )) (( segid "RW16" and resid 16 and name HA )) ASSI { 72} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 3 and name HD1 )) 3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.15042E-02 ppm1 1.549 ppm2 7.040 CV 1 OR { 72} (( segid "RW16" and resid 8 and name HB2 )) (( segid "RW16" and resid 7 and name HD1 )) OR { 72} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 72} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 7 and name HD1 )) OR { 72} (( segid "RW16" and resid 1 and name HG2 )) (( segid "RW16" and resid 3 and name HD1 )) ASSI { 73} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 6 and name HH2 )) 3.000 3.000 3.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.15613E-02 ppm1 1.559 ppm2 6.845 CV 1 OR { 73} (( segid "RW16" and resid 16 and name HG1 )) (( segid "RW16" and resid 11 and name HZ3 )) OR { 73} (( segid "RW16" and resid 16 and name HG2 )) (( segid "RW16" and resid 11 and name HZ3 )) OR { 73} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 6 and name HH2 )) OR { 73} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 3 and name HH2 )) ASSI { 78} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HG1 )) 2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.44811E-02 ppm1 1.565 ppm2 1.250 CV 1 OR { 78} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 2 and name HG2 )) OR { 78} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HG2 )) OR { 78} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HG2 )) OR { 78} (( segid "RW16" and resid 2 and name HB2 )) (( segid "RW16" and resid 2 and name HG1 )) OR { 78} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HG1 )) ASSI { 79} (( segid "RW16" and resid 12 and name HB1 )) (( segid "RW16" and resid 12 and name HD2 )) 2.000 0.500 0.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.14878E-01 ppm1 1.567 ppm2 3.038 CV 1 OR { 79} (( segid "RW16" and resid 8 and name HB2 )) (( segid "RW16" and resid 8 and name HD1 )) OR { 79} (( segid "RW16" and resid 12 and name HB1 )) (( segid "RW16" and resid 12 and name HD1 )) OR { 79} (( segid "RW16" and resid 8 and name HB2 )) (( segid "RW16" and resid 8 and name HD2 )) OR { 79} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HD1 )) OR { 79} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HD2 )) ASSI { 81} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HN )) 2.600 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.35761E-02 ppm1 1.575 ppm2 7.819 CV 1 OR { 81} (( segid "RW16" and resid 8 and name HB2 )) (( segid "RW16" and resid 8 and name HN )) OR { 81} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 5 and name HN )) OR { 81} (( segid "RW16" and resid 1 and name HB2 )) (( segid "RW16" and resid 4 and name HN )) OR { 81} (( segid "RW16" and resid 1 and name HB1 )) (( segid "RW16" and resid 4 and name HN )) ASSI { 82} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HG1 )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.42719E-02 ppm1 1.579 ppm2 1.237 CV 1 OR { 82} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HG2 )) OR { 82} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HG2 )) OR { 82} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HG1 )) ASSI { 83} (( segid "RW16" and resid 8 and name HB2 )) (( segid "RW16" and resid 7 and name HD1 )) 2.900 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.25384E-02 ppm1 1.583 ppm2 7.070 CV 1 OR { 83} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 83} (( segid "RW16" and resid 1 and name HB1 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 83} (( segid "RW16" and resid 1 and name HB2 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 83} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 7 and name HD1 )) ASSI { 84} (( segid "RW16" and resid 1 and name HB1 )) (( segid "RW16" and resid 3 and name HE1 )) 3.100 3.100 2.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 1.584 ppm2 10.477 CV 1 OR { 84} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 84} (( segid "RW16" and resid 1 and name HB2 )) (( segid "RW16" and resid 3 and name HE1 )) ASSI { 87} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HD2 )) 2.400 0.700 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.49521E-02 ppm1 1.589 ppm2 2.955 CV 1 OR { 87} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 2 and name HD1 )) OR { 87} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HD1 )) OR { 87} (( segid "RW16" and resid 4 and name HB1 )) (( segid "RW16" and resid 4 and name HD2 )) OR { 87} (( segid "RW16" and resid 8 and name HB2 )) (( segid "RW16" and resid 11 and name HB2 )) ASSI { 90} (( segid "RW16" and resid 2 and name HB1 )) (( segid "RW16" and resid 6 and name HE1 )) 3.500 3.500 2.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.63959E-03 ppm1 1.622 ppm2 10.259 CV 1 OR { 90} (( segid "RW16" and resid 1 and name HB2 )) (( segid "RW16" and resid 6 and name HE1 )) ASSI { 94} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 13 and name HE )) 3.400 1.400 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.77197E-03 ppm1 1.677 ppm2 7.201 CV 1 OR { 94} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 6 and name HD1 )) OR { 94} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 16 and name HE )) OR { 94} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 13 and name HE )) OR { 94} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 16 and name HE )) OR { 94} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 6 and name HD1 )) OR { 94} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 10 and name HE3 )) ASSI { 97} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 13 and name HD1 )) 2.400 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.53439E-02 ppm1 1.682 ppm2 2.921 CV 1 OR { 97} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 13 and name HD2 )) OR { 97} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 9 and name HD1 )) OR { 97} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 9 and name HD2 )) OR { 97} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 13 and name HD2 )) OR { 97} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 13 and name HD1 )) OR { 97} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 14 and name HB2 )) OR { 97} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 14 and name HB2 )) ASSI { 100} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 11 and name HZ3 )) 3.500 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.64451E-03 ppm1 1.684 ppm2 6.804 CV 1 OR { 100} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 11 and name HZ3 )) OR { 100} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 14 and name HD1 )) OR { 100} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 14 and name HD1 )) OR { 100} (( segid "RW16" and resid 8 and name HB1 )) (( segid "RW16" and resid 11 and name HD1 )) OR { 100} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 6 and name HH2 )) OR { 100} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 6 and name HH2 )) OR { 100} (( segid "RW16" and resid 12 and name HB2 )) (( segid "RW16" and resid 11 and name HZ3 )) OR { 100} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 10 and name HZ3 )) ASSI { 104} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 6 and name HD1 )) 3.000 1.100 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.15922E-02 ppm1 1.691 ppm2 7.157 CV 1 OR { 104} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 16 and name HE )) OR { 104} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 16 and name HE )) OR { 104} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 6 and name HD1 )) OR { 104} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 10 and name HE3 )) OR { 104} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 10 and name HE3 )) OR { 104} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 6 and name HZ2 )) ASSI { 105} (( segid "RW16" and resid 8 and name HB1 )) (( segid "RW16" and resid 7 and name HD1 )) 3.100 1.200 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.12316E-02 ppm1 1.692 ppm2 7.040 CV 1 OR { 105} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 7 and name HD1 )) OR { 105} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 11 and name HH2 )) OR { 105} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 105} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 11 and name HH2 )) OR { 105} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 3 and name HD1 )) OR { 105} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 7 and name HD1 )) ASSI { 106} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 5 and name HD2 )) 2.100 0.500 0.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.12665E-01 ppm1 1.693 ppm2 3.014 CV 1 OR { 106} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 5 and name HD2 )) OR { 106} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 16 and name HD1 )) OR { 106} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 5 and name HD1 )) OR { 106} (( segid "RW16" and resid 8 and name HB1 )) (( segid "RW16" and resid 8 and name HD1 )) OR { 106} (( segid "RW16" and resid 8 and name HB1 )) (( segid "RW16" and resid 8 and name HD2 )) OR { 106} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 16 and name HD2 )) OR { 106} (( segid "RW16" and resid 12 and name HB2 )) (( segid "RW16" and resid 12 and name HD2 )) OR { 106} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 16 and name HD1 )) OR { 106} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 5 and name HD1 )) OR { 106} (( segid "RW16" and resid 12 and name HB2 )) (( segid "RW16" and resid 12 and name HD1 )) OR { 106} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 16 and name HD2 )) ASSI { 108} (( segid "RW16" and resid 16 and name HB2 )) (( segid "RW16" and resid 11 and name HZ3 )) 3.100 1.200 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.13276E-02 ppm1 1.697 ppm2 6.845 CV 1 OR { 108} (( segid "RW16" and resid 16 and name HB1 )) (( segid "RW16" and resid 11 and name HZ3 )) OR { 108} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 3 and name HH2 )) OR { 108} (( segid "RW16" and resid 8 and name HB1 )) (( segid "RW16" and resid 11 and name HD1 )) OR { 108} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 6 and name HH2 )) OR { 108} (( segid "RW16" and resid 12 and name HB2 )) (( segid "RW16" and resid 11 and name HZ3 )) ASSI { 112} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 3 and name HZ3 )) 3.400 1.400 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.91024E-03 ppm1 1.698 ppm2 6.619 CV 1 OR { 112} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 10 and name HD1 )) OR { 112} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 6 and name HZ3 )) OR { 112} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 6 and name HZ3 )) OR { 112} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 10 and name HD1 )) OR { 112} (( segid "RW16" and resid 8 and name HB1 )) (( segid "RW16" and resid 10 and name HD1 )) OR { 112} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 10 and name HD1 )) OR { 112} (( segid "RW16" and resid 12 and name HB2 )) (( segid "RW16" and resid 10 and name HD1 )) OR { 112} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 6 and name HZ3 )) ASSI { 114} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 9 and name HG1 )) 2.300 0.700 0.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.57970E-02 ppm1 1.702 ppm2 1.288 CV 1 OR { 114} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 4 and name HG1 )) OR { 114} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 4 and name HG2 )) OR { 114} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 9 and name HG2 )) ASSI { 115} (( segid "RW16" and resid 5 and name HB1 )) (( segid "RW16" and resid 5 and name HN )) 2.100 0.600 0.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.97657E-02 ppm1 1.704 ppm2 7.800 CV 1 OR { 115} (( segid "RW16" and resid 13 and name HB1 )) (( segid "RW16" and resid 14 and name HN )) OR { 115} (( segid "RW16" and resid 5 and name HB2 )) (( segid "RW16" and resid 5 and name HN )) OR { 115} (( segid "RW16" and resid 13 and name HB2 )) (( segid "RW16" and resid 14 and name HN )) OR { 115} (( segid "RW16" and resid 8 and name HB1 )) (( segid "RW16" and resid 8 and name HN )) OR { 115} (( segid "RW16" and resid 9 and name HB2 )) (( segid "RW16" and resid 10 and name HN )) OR { 115} (( segid "RW16" and resid 4 and name HB2 )) (( segid "RW16" and resid 4 and name HN )) ASSI { 131} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 10 and name HZ2 )) 3.300 1.400 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.10448E-02 ppm1 2.654 ppm2 7.017 CV 1 OR { 131} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 10 and name HZ2 )) OR { 131} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 10 and name HZ2 )) ASSI { 139} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 10 and name HD1 )) 3.000 1.200 1.200 peak 139 spectrum 1 weight 0.10000E+01 volume 0.13497E-02 ppm1 2.667 ppm2 6.614 CV 1 OR { 139} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 10 and name HD1 )) OR { 139} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 10 and name HD1 )) ASSI { 141} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 11 and name HE3 )) 2.900 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.21058E-02 ppm1 2.670 ppm2 7.349 CV 1 OR { 141} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 11 and name HE3 )) OR { 141} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 13 and name HN )) OR { 141} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 13 and name HN )) OR { 141} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 13 and name HN )) OR { 141} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 11 and name HE3 )) ASSI { 144} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 14 and name HZ3 )) 3.100 1.200 1.200 peak 144 spectrum 1 weight 0.10000E+01 volume 0.17127E-02 ppm1 2.678 ppm2 6.841 CV 1 OR { 144} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 11 and name HD1 )) OR { 144} (( segid "RW16" and resid 14 and name HB1 )) (( segid "RW16" and resid 14 and name HZ3 )) OR { 144} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 14 and name HZ3 )) OR { 144} (( segid "RW16" and resid 15 and name HD1 )) (( segid "RW16" and resid 11 and name HZ3 )) OR { 144} (( segid "RW16" and resid 15 and name HD2 )) (( segid "RW16" and resid 11 and name HZ3 )) ASSI { 151} (( segid "RW16" and resid 11 and name HB1 )) (( segid "RW16" and resid 7 and name HD1 )) 3.800 1.800 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.47345E-03 ppm1 2.789 ppm2 7.040 CV 1 OR { 151} (( segid "RW16" and resid 10 and name HB1 )) (( segid "RW16" and resid 7 and name HD1 )) OR { 151} (( segid "RW16" and resid 10 and name HB1 )) (( segid "RW16" and resid 10 and name HZ2 )) OR { 151} (( segid "RW16" and resid 11 and name HB1 )) (( segid "RW16" and resid 11 and name HH2 )) ASSI { 154} (( segid "RW16" and resid 10 and name HB1 )) (( segid "RW16" and resid 11 and name HD1 )) 3.400 3.400 2.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.87692E-03 ppm1 2.821 ppm2 6.784 CV 1 OR { 154} (( segid "RW16" and resid 10 and name HB1 )) (( segid "RW16" and resid 10 and name HZ3 )) OR { 154} (( segid "RW16" and resid 10 and name HB1 )) (( segid "RW16" and resid 7 and name HZ3 )) OR { 154} (( segid "RW16" and resid 10 and name HB1 )) (( segid "RW16" and resid 10 and name HH2 )) ASSI { 166} (( segid "RW16" and resid 11 and name HB2 )) (( segid "RW16" and resid 15 and name HB1 )) 2.600 2.600 3.400 peak 166 spectrum 1 weight 0.10000E+01 volume 0.36303E-02 ppm1 2.905 ppm2 1.356 CV 1 OR { 166} (( segid "RW16" and resid 14 and name HB2 )) (( segid "RW16" and resid 15 and name HB1 )) OR { 166} (( segid "RW16" and resid 11 and name HB2 )) (( segid "RW16" and resid 8 and name HG2 )) OR { 166} (( segid "RW16" and resid 11 and name HB2 )) (( segid "RW16" and resid 8 and name HG1 )) OR { 166} (( segid "RW16" and resid 9 and name HD2 )) (( segid "RW16" and resid 8 and name HG1 )) OR { 166} (( segid "RW16" and resid 9 and name HD1 )) (( segid "RW16" and resid 8 and name HG1 )) OR { 166} (( segid "RW16" and resid 9 and name HD2 )) (( segid "RW16" and resid 8 and name HG2 )) ASSI { 169} (( segid "RW16" and resid 13 and name HD1 )) (( segid "RW16" and resid 13 and name HB2 )) 2.600 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.31581E-02 ppm1 2.923 ppm2 1.719 CV 1 OR { 169} (( segid "RW16" and resid 13 and name HD2 )) (( segid "RW16" and resid 13 and name HB2 )) OR { 169} (( segid "RW16" and resid 9 and name HD1 )) (( segid "RW16" and resid 9 and name HB2 )) OR { 169} (( segid "RW16" and resid 9 and name HD2 )) (( segid "RW16" and resid 9 and name HB2 )) OR { 169} (( segid "RW16" and resid 13 and name HD2 )) (( segid "RW16" and resid 13 and name HB1 )) OR { 169} (( segid "RW16" and resid 13 and name HD1 )) (( segid "RW16" and resid 13 and name HB1 )) OR { 169} (( segid "RW16" and resid 14 and name HB2 )) (( segid "RW16" and resid 13 and name HB2 )) ASSI { 170} (( segid "RW16" and resid 2 and name HD1 )) (( segid "RW16" and resid 3 and name HE1 )) 3.400 1.400 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.81976E-03 ppm1 2.932 ppm2 10.478 CV 1 OR { 170} (( segid "RW16" and resid 0 and name HD1 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 170} (( segid "RW16" and resid 0 and name HD2 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 170} (( segid "RW16" and resid 2 and name HD2 )) (( segid "RW16" and resid 3 and name HE1 )) ASSI { 177} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 10 and name HB1 )) 2.100 0.500 0.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.80703E-02 ppm1 2.947 ppm2 2.770 CV 1 OR { 177} (( segid "RW16" and resid 11 and name HB2 )) (( segid "RW16" and resid 11 and name HB1 )) ASSI { 180} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 5 and name HB2 )) 2.600 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.36125E-02 ppm1 2.957 ppm2 1.647 CV 1 OR { 180} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 5 and name HB1 )) OR { 180} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 5 and name HB2 )) OR { 180} (( segid "RW16" and resid 9 and name HD1 )) (( segid "RW16" and resid 9 and name HB2 )) OR { 180} (( segid "RW16" and resid 9 and name HD2 )) (( segid "RW16" and resid 9 and name HB2 )) OR { 180} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 5 and name HB1 )) ASSI { 182} (( segid "RW16" and resid 8 and name HD1 )) (( segid "RW16" and resid 5 and name HA )) 2.600 0.900 0.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.37087E-02 ppm1 2.964 ppm2 3.900 CV 1 OR { 182} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 5 and name HA )) OR { 182} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 5 and name HA )) OR { 182} (( segid "RW16" and resid 8 and name HD2 )) (( segid "RW16" and resid 5 and name HA )) OR { 182} (( segid "RW16" and resid 2 and name HD1 )) (( segid "RW16" and resid 1 and name HA )) OR { 182} (( segid "RW16" and resid 2 and name HD2 )) (( segid "RW16" and resid 1 and name HA )) OR { 182} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 5 and name HA )) ASSI { 183} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 4 and name HG2 )) 2.200 0.600 0.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.69246E-02 ppm1 2.971 ppm2 1.249 CV 1 OR { 183} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 4 and name HG2 )) OR { 183} (( segid "RW16" and resid 2 and name HD1 )) (( segid "RW16" and resid 2 and name HG1 )) OR { 183} (( segid "RW16" and resid 2 and name HD2 )) (( segid "RW16" and resid 2 and name HG2 )) OR { 183} (( segid "RW16" and resid 2 and name HD2 )) (( segid "RW16" and resid 2 and name HG1 )) OR { 183} (( segid "RW16" and resid 2 and name HD1 )) (( segid "RW16" and resid 2 and name HG2 )) OR { 183} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 4 and name HG1 )) ASSI { 192} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 10 and name HZ3 )) 3.900 1.900 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43007E-03 ppm1 2.986 ppm2 6.746 CV 1 OR { 192} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 10 and name HH2 )) OR { 192} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 14 and name HD1 )) ASSI { 196} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 7 and name HD1 )) 3.100 1.200 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.98915E-03 ppm1 3.005 ppm2 7.041 CV 1 OR { 196} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 7 and name HD1 )) OR { 196} (( segid "RW16" and resid 8 and name HD1 )) (( segid "RW16" and resid 7 and name HD1 )) ASSI { 199} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 6 and name HN )) 3.700 1.700 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.59271E-03 ppm1 3.005 ppm2 7.702 CV 1 OR { 199} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 6 and name HN )) OR { 199} (( segid "RW16" and resid 10 and name HB2 )) (( segid "RW16" and resid 15 and name HN )) OR { 199} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 6 and name HN )) OR { 199} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 6 and name HN )) ASSI { 204} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 5 and name HG2 )) 2.100 0.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.10556E-01 ppm1 3.015 ppm2 1.479 CV 1 OR { 204} (( segid "RW16" and resid 12 and name HD1 )) (( segid "RW16" and resid 12 and name HG1 )) OR { 204} (( segid "RW16" and resid 16 and name HD1 )) (( segid "RW16" and resid 16 and name HG1 )) OR { 204} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 5 and name HG1 )) OR { 204} (( segid "RW16" and resid 12 and name HD2 )) (( segid "RW16" and resid 12 and name HG2 )) OR { 204} (( segid "RW16" and resid 12 and name HD2 )) (( segid "RW16" and resid 12 and name HG1 )) OR { 204} (( segid "RW16" and resid 12 and name HD1 )) (( segid "RW16" and resid 12 and name HG2 )) OR { 204} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 5 and name HG2 )) OR { 204} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 5 and name HG1 )) OR { 204} (( segid "RW16" and resid 16 and name HD1 )) (( segid "RW16" and resid 16 and name HG2 )) OR { 204} (( segid "RW16" and resid 16 and name HD2 )) (( segid "RW16" and resid 16 and name HG1 )) ASSI { 207} (( segid "RW16" and resid 12 and name HD2 )) (( segid "RW16" and resid 12 and name HB1 )) 2.100 0.600 0.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.11280E-01 ppm1 3.034 ppm2 1.573 CV 1 OR { 207} (( segid "RW16" and resid 1 and name HD2 )) (( segid "RW16" and resid 1 and name HB1 )) OR { 207} (( segid "RW16" and resid 1 and name HD1 )) (( segid "RW16" and resid 1 and name HB1 )) OR { 207} (( segid "RW16" and resid 8 and name HD1 )) (( segid "RW16" and resid 8 and name HB2 )) OR { 207} (( segid "RW16" and resid 1 and name HD2 )) (( segid "RW16" and resid 1 and name HB2 )) OR { 207} (( segid "RW16" and resid 12 and name HD1 )) (( segid "RW16" and resid 12 and name HB1 )) OR { 207} (( segid "RW16" and resid 8 and name HD2 )) (( segid "RW16" and resid 8 and name HB2 )) OR { 207} (( segid "RW16" and resid 1 and name HD1 )) (( segid "RW16" and resid 1 and name HB2 )) OR { 207} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 4 and name HB1 )) ASSI { 208} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 3 and name HE1 )) 3.000 3.000 3.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.88849E-03 ppm1 3.035 ppm2 10.477 CV 1 OR { 208} (( segid "RW16" and resid 1 and name HD2 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 208} (( segid "RW16" and resid 1 and name HD1 )) (( segid "RW16" and resid 3 and name HE1 )) OR { 208} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 3 and name HE1 )) ASSI { 209} (( segid "RW16" and resid 4 and name HD1 )) (( segid "RW16" and resid 4 and name HN )) 4.000 2.000 2.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.35846E-03 ppm1 3.039 ppm2 7.742 CV 1 OR { 209} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 4 and name HN )) OR { 209} (( segid "RW16" and resid 5 and name HD2 )) (( segid "RW16" and resid 6 and name HN )) OR { 209} (( segid "RW16" and resid 5 and name HD1 )) (( segid "RW16" and resid 6 and name HN )) OR { 209} (( segid "RW16" and resid 1 and name HD2 )) (( segid "RW16" and resid 4 and name HN )) OR { 209} (( segid "RW16" and resid 4 and name HD2 )) (( segid "RW16" and resid 6 and name HN )) ASSI { 227} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 8 and name HN )) 3.000 1.100 1.100 peak 227 spectrum 1 weight 0.10000E+01 volume 0.13312E-02 ppm1 3.278 ppm2 7.823 CV 1 OR { 227} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 4 and name HN )) OR { 227} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 4 and name HN )) OR { 227} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 5 and name HN )) OR { 227} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 4 and name HN )) OR { 227} (( segid "RW16" and resid 6 and name HB1 )) (( segid "RW16" and resid 10 and name HN )) OR { 227} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 8 and name HN )) ASSI { 228} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 6 and name HZ3 )) 3.200 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.11292E-02 ppm1 3.278 ppm2 6.632 CV 1 OR { 228} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 6 and name HZ3 )) OR { 228} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 3 and name HZ3 )) OR { 228} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 3 and name HZ3 )) OR { 228} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 6 and name HZ3 )) ASSI { 233} (( segid "RW16" and resid 3 and name HB1 )) (( segid "RW16" and resid 6 and name HH2 )) 3.300 1.400 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.10481E-02 ppm1 3.291 ppm2 6.786 CV 1 OR { 233} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 6 and name HH2 )) OR { 233} (( segid "RW16" and resid 6 and name HB1 )) (( segid "RW16" and resid 6 and name HH2 )) OR { 233} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 7 and name HZ3 )) OR { 233} (( segid "RW16" and resid 7 and name HB1 )) (( segid "RW16" and resid 11 and name HD1 )) OR { 233} (( segid "RW16" and resid 3 and name HB2 )) (( segid "RW16" and resid 7 and name HZ3 )) OR { 233} (( segid "RW16" and resid 6 and name HB2 )) (( segid "RW16" and resid 6 and name HH2 )) ASSI { 247} (( segid "RW16" and resid 15 and name HA )) (( segid "RW16" and resid 15 and name HB2 )) 2.500 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.43533E-02 ppm1 3.635 ppm2 1.417 CV 1 OR { 247} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 12 and name HG2 )) OR { 247} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 12 and name HG1 )) ASSI { 248} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 11 and name HE3 )) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.21783E-02 ppm1 3.649 ppm2 7.355 CV 1 OR { 248} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 13 and name HN )) ASSI { 249} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 12 and name HB2 )) 2.400 0.700 0.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.49829E-02 ppm1 3.650 ppm2 1.697 CV 1 OR { 249} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 16 and name HB2 )) OR { 249} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 16 and name HB1 )) ASSI { 250} (( segid "RW16" and resid 15 and name HA )) (( segid "RW16" and resid 14 and name HZ3 )) 3.100 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.14114E-02 ppm1 3.655 ppm2 6.843 CV 1 OR { 250} (( segid "RW16" and resid 12 and name HA )) (( segid "RW16" and resid 11 and name HZ3 )) ASSI { 257} (( segid "RW16" and resid 8 and name HA )) (( segid "RW16" and resid 7 and name HD1 )) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.42032E-02 ppm1 3.761 ppm2 7.041 CV 1 OR { 257} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 7 and name HD1 )) ASSI { 259} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 4 and name HE )) 3.100 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.15363E-02 ppm1 3.762 ppm2 7.422 CV 1 OR { 259} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 7 and name HE3 )) ASSI { 264} (( segid "RW16" and resid 8 and name HA )) (( segid "RW16" and resid 8 and name HB2 )) 2.600 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.33917E-02 ppm1 3.766 ppm2 1.560 CV 1 OR { 264} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 4 and name HB1 )) ASSI { 266} (( segid "RW16" and resid 8 and name HA )) (( segid "RW16" and resid 11 and name HD1 )) 3.000 1.100 1.100 peak 266 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 3.768 ppm2 6.843 CV 1 OR { 266} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 3 and name HH2 )) OR { 266} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 7 and name HZ3 )) ASSI { 269} (( segid "RW16" and resid 8 and name HA )) (( segid "RW16" and resid 8 and name HB1 )) 2.200 0.600 0.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.73437E-02 ppm1 3.776 ppm2 1.708 CV 1 OR { 269} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 4 and name HB2 )) ASSI { 270} (( segid "RW16" and resid 9 and name HA )) (( segid "RW16" and resid 9 and name HG1 )) 2.800 1.000 1.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.22249E-02 ppm1 3.790 ppm2 1.293 CV 1 OR { 270} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 4 and name HG2 )) OR { 270} (( segid "RW16" and resid 9 and name HA )) (( segid "RW16" and resid 9 and name HG2 )) OR { 270} (( segid "RW16" and resid 4 and name HA )) (( segid "RW16" and resid 4 and name HG1 )) ASSI { 272} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 1 and name HB1 )) 2.200 0.600 0.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.79721E-02 ppm1 3.894 ppm2 1.651 CV 1 OR { 272} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HB2 )) OR { 272} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HB1 )) OR { 272} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 1 and name HB2 )) OR { 272} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HB2 )) OR { 272} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HB1 )) ASSI { 273} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HB2 )) 2.200 0.600 0.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.93045E-02 ppm1 3.896 ppm2 1.704 CV 1 OR { 273} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HB1 )) OR { 273} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HB2 )) OR { 273} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HB1 )) ASSI { 275} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HG1 )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.28471E-02 ppm1 3.901 ppm2 1.404 CV 1 OR { 275} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HG2 )) OR { 275} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 8 and name HG1 )) ASSI { 286} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HB2 )) 2.400 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.55551E-02 ppm1 3.952 ppm2 1.688 CV 1 OR { 286} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HB1 )) OR { 286} (( segid "RW16" and resid 16 and name HA )) (( segid "RW16" and resid 16 and name HB2 )) OR { 286} (( segid "RW16" and resid 16 and name HA )) (( segid "RW16" and resid 16 and name HB1 )) OR { 286} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HB2 )) OR { 286} (( segid "RW16" and resid 13 and name HA )) (( segid "RW16" and resid 13 and name HB1 )) ASSI { 287} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HG1 )) 2.400 0.700 0.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.57419E-02 ppm1 3.953 ppm2 1.496 CV 1 OR { 287} (( segid "RW16" and resid 2 and name HA )) (( segid "RW16" and resid 2 and name HB2 )) OR { 287} (( segid "RW16" and resid 5 and name HA )) (( segid "RW16" and resid 5 and name HG2 )) OR { 287} (( segid "RW16" and resid 16 and name HA )) (( segid "RW16" and resid 16 and name HG1 )) OR { 287} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 1 and name HG2 )) OR { 287} (( segid "RW16" and resid 16 and name HA )) (( segid "RW16" and resid 16 and name HG2 )) OR { 287} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 1 and name HG1 )) ASSI { 288} (( segid "RW16" and resid 2 and name HA )) (( segid "RW16" and resid 2 and name HB1 )) 2.100 0.600 0.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.94762E-02 ppm1 3.962 ppm2 1.594 CV 1 OR { 288} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 1 and name HB1 )) OR { 288} (( segid "RW16" and resid 1 and name HA )) (( segid "RW16" and resid 1 and name HB2 )) ASSI { 299} (( segid "RW16" and resid 11 and name HA )) (( segid "RW16" and resid 11 and name HB1 )) 2.800 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.28250E-02 ppm1 4.073 ppm2 2.772 CV 1 OR { 299} (( segid "RW16" and resid 10 and name HA )) (( segid "RW16" and resid 10 and name HB1 )) ASSI { 307} (( segid "RW16" and resid 10 and name HA )) (( segid "RW16" and resid 13 and name HB1 )) 2.800 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.17856E-02 ppm1 4.120 ppm2 1.705 CV 1 OR { 307} (( segid "RW16" and resid 10 and name HA )) (( segid "RW16" and resid 13 and name HB2 )) OR { 307} (( segid "RW16" and resid 14 and name HA )) (( segid "RW16" and resid 13 and name HB2 )) OR { 307} (( segid "RW16" and resid 14 and name HA )) (( segid "RW16" and resid 13 and name HB1 )) ASSI { 320} (( segid "RW16" and resid 7 and name HA )) (( segid "RW16" and resid 8 and name HN )) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.19939E-02 ppm1 4.244 ppm2 7.805 CV 1 OR { 320} (( segid "RW16" and resid 7 and name HA )) (( segid "RW16" and resid 10 and name HN )) OR { 320} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 8 and name HN )) OR { 320} (( segid "RW16" and resid 6 and name HA )) (( segid "RW16" and resid 10 and name HN )) ASSI { 343} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 4 and name HD2 )) 3.000 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.14666E-02 ppm1 6.628 ppm2 3.000 CV 1 OR { 343} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 4 and name HD1 )) OR { 343} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 10 and name HB2 )) ASSI { 344} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 15 and name HB2 )) 3.600 1.700 1.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.45667E-03 ppm1 6.630 ppm2 1.424 CV 1 OR { 344} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 13 and name HG2 )) OR { 344} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 8 and name HG2 )) OR { 344} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 8 and name HG1 )) OR { 344} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 8 and name HG2 )) OR { 344} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 13 and name HG1 )) OR { 344} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 5 and name HG2 )) OR { 344} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 5 and name HG1 )) OR { 344} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 8 and name HG1 )) OR { 344} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 12 and name HG2 )) OR { 344} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 12 and name HG1 )) ASSI { 346} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 4 and name HB2 )) 3.500 1.500 1.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.62206E-03 ppm1 6.637 ppm2 1.706 CV 1 OR { 346} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 13 and name HB1 )) OR { 346} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 5 and name HB2 )) OR { 346} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 5 and name HB1 )) OR { 346} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 9 and name HB2 )) OR { 346} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 8 and name HB1 )) OR { 346} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 13 and name HB2 )) OR { 346} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 12 and name HB2 )) OR { 346} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 4 and name HB2 )) OR { 346} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 16 and name HB2 )) ASSI { 347} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 2 and name HB1 )) 3.600 1.600 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.44814E-03 ppm1 6.638 ppm2 1.643 CV 1 OR { 347} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 13 and name HB1 )) OR { 347} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 5 and name HB2 )) OR { 347} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 5 and name HB1 )) OR { 347} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 9 and name HB2 )) OR { 347} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 8 and name HB1 )) OR { 347} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 1 and name HB1 )) OR { 347} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 13 and name HB2 )) OR { 347} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 1 and name HB2 )) OR { 347} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 12 and name HB2 )) OR { 347} (( segid "RW16" and resid 10 and name HD1 )) (( segid "RW16" and resid 16 and name HB2 )) OR { 347} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 5 and name HB1 )) OR { 347} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 8 and name HB1 )) OR { 347} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 5 and name HB2 )) ASSI { 351} (( segid "RW16" and resid 6 and name HZ3 )) (( segid "RW16" and resid 2 and name HB1 )) 3.400 3.400 2.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.52266E-03 ppm1 6.653 ppm2 1.629 CV 1 OR { 351} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 1 and name HB1 )) OR { 351} (( segid "RW16" and resid 3 and name HZ3 )) (( segid "RW16" and resid 1 and name HB2 )) ASSI { 359} (( segid "RW16" and resid 6 and name HH2 )) (( segid "RW16" and resid 3 and name HB1 )) 3.500 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.49694E-03 ppm1 6.793 ppm2 3.285 CV 1 OR { 359} (( segid "RW16" and resid 6 and name HH2 )) (( segid "RW16" and resid 3 and name HB2 )) OR { 359} (( segid "RW16" and resid 7 and name HZ3 )) (( segid "RW16" and resid 7 and name HB1 )) OR { 359} (( segid "RW16" and resid 11 and name HD1 )) (( segid "RW16" and resid 7 and name HB1 )) OR { 359} (( segid "RW16" and resid 7 and name HZ3 )) (( segid "RW16" and resid 3 and name HB2 )) OR { 359} (( segid "RW16" and resid 6 and name HH2 )) (( segid "RW16" and resid 6 and name HB2 )) ASSI { 360} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 16 and name HD1 )) 3.000 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 6.797 ppm2 3.035 CV 1 OR { 360} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 16 and name HD2 )) OR { 360} (( segid "RW16" and resid 7 and name HZ3 )) (( segid "RW16" and resid 4 and name HD1 )) OR { 360} (( segid "RW16" and resid 7 and name HZ3 )) (( segid "RW16" and resid 4 and name HD2 )) OR { 360} (( segid "RW16" and resid 11 and name HD1 )) (( segid "RW16" and resid 4 and name HD1 )) OR { 360} (( segid "RW16" and resid 6 and name HH2 )) (( segid "RW16" and resid 5 and name HD2 )) OR { 360} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 12 and name HD2 )) OR { 360} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 12 and name HD1 )) OR { 360} (( segid "RW16" and resid 11 and name HD1 )) (( segid "RW16" and resid 4 and name HD2 )) ASSI { 366} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 16 and name HB2 )) 3.600 1.600 1.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.47825E-03 ppm1 6.818 ppm2 1.702 CV 1 OR { 366} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 16 and name HB1 )) OR { 366} (( segid "RW16" and resid 14 and name HD1 )) (( segid "RW16" and resid 13 and name HB2 )) OR { 366} (( segid "RW16" and resid 14 and name HD1 )) (( segid "RW16" and resid 13 and name HB1 )) OR { 366} (( segid "RW16" and resid 3 and name HH2 )) (( segid "RW16" and resid 4 and name HB2 )) OR { 366} (( segid "RW16" and resid 11 and name HD1 )) (( segid "RW16" and resid 8 and name HB1 )) OR { 366} (( segid "RW16" and resid 10 and name HZ3 )) (( segid "RW16" and resid 13 and name HB1 )) OR { 366} (( segid "RW16" and resid 6 and name HH2 )) (( segid "RW16" and resid 5 and name HB1 )) OR { 366} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 12 and name HB2 )) OR { 366} (( segid "RW16" and resid 10 and name HZ3 )) (( segid "RW16" and resid 13 and name HB2 )) ASSI { 368} (( segid "RW16" and resid 14 and name HD1 )) (( segid "RW16" and resid 14 and name HB2 )) 3.000 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.12224E-02 ppm1 6.819 ppm2 2.897 CV 1 OR { 368} (( segid "RW16" and resid 11 and name HD1 )) (( segid "RW16" and resid 11 and name HB2 )) ASSI { 372} (( segid "RW16" and resid 11 and name HD1 )) (( segid "RW16" and resid 8 and name HA )) 3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 6.835 ppm2 3.757 CV 1 OR { 372} (( segid "RW16" and resid 3 and name HH2 )) (( segid "RW16" and resid 4 and name HA )) ASSI { 373} (( segid "RW16" and resid 14 and name HD1 )) (( segid "RW16" and resid 14 and name HB1 )) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.15727E-02 ppm1 6.836 ppm2 2.662 CV 1 OR { 373} (( segid "RW16" and resid 14 and name HZ3 )) (( segid "RW16" and resid 15 and name HD2 )) OR { 373} (( segid "RW16" and resid 11 and name HD1 )) (( segid "RW16" and resid 15 and name HD1 )) OR { 373} (( segid "RW16" and resid 14 and name HZ3 )) (( segid "RW16" and resid 14 and name HB1 )) OR { 373} (( segid "RW16" and resid 14 and name HZ3 )) (( segid "RW16" and resid 15 and name HD1 )) OR { 373} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 15 and name HD1 )) ASSI { 377} (( segid "RW16" and resid 3 and name HH2 )) (( segid "RW16" and resid 4 and name HD2 )) 2.900 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.15055E-02 ppm1 6.841 ppm2 3.033 CV 1 OR { 377} (( segid "RW16" and resid 3 and name HH2 )) (( segid "RW16" and resid 4 and name HD1 )) OR { 377} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 16 and name HD2 )) ASSI { 383} (( segid "RW16" and resid 14 and name HZ3 )) (( segid "RW16" and resid 15 and name HG1 )) 3.200 1.300 1.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.89867E-03 ppm1 6.846 ppm2 1.072 CV 1 OR { 383} (( segid "RW16" and resid 14 and name HZ3 )) (( segid "RW16" and resid 15 and name HG2 )) OR { 383} (( segid "RW16" and resid 11 and name HZ3 )) (( segid "RW16" and resid 15 and name HG2 )) ASSI { 396} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 2 and name HB2 )) 3.700 1.700 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.51445E-03 ppm1 7.046 ppm2 1.524 CV 1 OR { 396} (( segid "RW16" and resid 7 and name HD1 )) (( segid "RW16" and resid 8 and name HB2 )) OR { 396} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 4 and name HB1 )) OR { 396} (( segid "RW16" and resid 7 and name HD1 )) (( segid "RW16" and resid 4 and name HB1 )) OR { 396} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 1 and name HG2 )) OR { 396} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 1 and name HG1 )) ASSI { 405} (( segid "RW16" and resid 7 and name HD1 )) (( segid "RW16" and resid 8 and name HG2 )) 3.400 1.500 1.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.71447E-03 ppm1 7.074 ppm2 1.409 CV 1 OR { 405} (( segid "RW16" and resid 7 and name HD1 )) (( segid "RW16" and resid 8 and name HG1 )) OR { 405} (( segid "RW16" and resid 15 and name HE )) (( segid "RW16" and resid 15 and name HB2 )) ASSI { 406} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 2 and name HG1 )) 3.300 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.76783E-03 ppm1 7.075 ppm2 1.264 CV 1 OR { 406} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 2 and name HG2 )) OR { 406} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 4 and name HG2 )) OR { 406} (( segid "RW16" and resid 7 and name HD1 )) (( segid "RW16" and resid 4 and name HG1 )) OR { 406} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 4 and name HG1 )) ASSI { 407} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 15 and name HB1 )) 3.500 1.500 1.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.80928E-03 ppm1 7.084 ppm2 1.277 CV 1 OR { 407} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 2 and name HG1 )) OR { 407} (( segid "RW16" and resid 15 and name HE )) (( segid "RW16" and resid 15 and name HB1 )) OR { 407} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 2 and name HG2 )) ASSI { 408} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 2 and name HB1 )) 3.200 3.200 2.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.87634E-03 ppm1 7.090 ppm2 1.597 CV 1 OR { 408} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 1 and name HB1 )) OR { 408} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 1 and name HB2 )) ASSI { 409} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 2 and name HB2 )) 3.700 1.700 1.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.54960E-03 ppm1 7.091 ppm2 1.503 CV 1 OR { 409} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 4 and name HB1 )) OR { 409} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 1 and name HG2 )) OR { 409} (( segid "RW16" and resid 3 and name HD1 )) (( segid "RW16" and resid 1 and name HG1 )) ASSI { 411} (( segid "RW16" and resid 0 and name HE )) (( segid "RW16" and resid 0 and name HB2 )) 3.500 1.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.69061E-03 ppm1 7.106 ppm2 1.413 CV 1 OR { 411} (( segid "RW16" and resid 0 and name HE )) (( segid "RW16" and resid 0 and name HB1 )) OR { 411} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 15 and name HB2 )) OR { 411} (( segid "RW16" and resid 15 and name HE )) (( segid "RW16" and resid 15 and name HB2 )) ASSI { 414} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 15 and name HG1 )) 3.000 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.13289E-02 ppm1 7.119 ppm2 1.070 CV 1 OR { 414} (( segid "RW16" and resid 15 and name HE )) (( segid "RW16" and resid 15 and name HG1 )) OR { 414} (( segid "RW16" and resid 15 and name HE )) (( segid "RW16" and resid 15 and name HG2 )) OR { 414} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 15 and name HG2 )) ASSI { 418} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 5 and name HB2 )) 3.500 1.500 1.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.61375E-03 ppm1 7.132 ppm2 1.685 CV 1 OR { 418} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HB1 )) OR { 418} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HB2 )) OR { 418} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 5 and name HB1 )) ASSI { 419} (( segid "RW16" and resid 0 and name HE )) (( segid "RW16" and resid 0 and name HD1 )) 3.000 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.13380E-02 ppm1 7.138 ppm2 2.900 CV 1 OR { 419} (( segid "RW16" and resid 0 and name HE )) (( segid "RW16" and resid 0 and name HD2 )) OR { 419} (( segid "RW16" and resid 14 and name HE3 )) (( segid "RW16" and resid 14 and name HB2 )) ASSI { 427} (( segid "RW16" and resid 10 and name HE3 )) (( segid "RW16" and resid 10 and name HB2 )) 2.900 1.000 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.15807E-02 ppm1 7.174 ppm2 2.996 CV 1 OR { 427} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HD2 )) OR { 427} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HD1 )) ASSI { 428} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 5 and name HB2 )) 3.500 1.500 1.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.61865E-03 ppm1 7.178 ppm2 1.705 CV 1 OR { 428} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HB1 )) OR { 428} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HB2 )) OR { 428} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 5 and name HB1 )) OR { 428} (( segid "RW16" and resid 10 and name HE3 )) (( segid "RW16" and resid 13 and name HB2 )) ASSI { 429} (( segid "RW16" and resid 6 and name HZ2 )) (( segid "RW16" and resid 6 and name HH2 )) 2.000 0.500 0.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.18502E-01 ppm1 7.193 ppm2 6.782 CV 1 OR { 429} (( segid "RW16" and resid 10 and name HE3 )) (( segid "RW16" and resid 10 and name HZ3 )) ASSI { 432} (( segid "RW16" and resid 13 and name HE )) (( segid "RW16" and resid 13 and name HB2 )) 3.700 1.700 1.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.45566E-03 ppm1 7.196 ppm2 1.650 CV 1 OR { 432} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 5 and name HB2 )) OR { 432} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HB1 )) OR { 432} (( segid "RW16" and resid 13 and name HE )) (( segid "RW16" and resid 13 and name HB1 )) OR { 432} (( segid "RW16" and resid 16 and name HE )) (( segid "RW16" and resid 16 and name HB2 )) OR { 432} (( segid "RW16" and resid 6 and name HD1 )) (( segid "RW16" and resid 5 and name HB1 )) ASSI { 433} (( segid "RW16" and resid 10 and name HE3 )) (( segid "RW16" and resid 10 and name HB2 )) 2.900 1.100 1.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 7.207 ppm2 2.957 CV 1 OR { 433} (( segid "RW16" and resid 2 and name HE )) (( segid "RW16" and resid 2 and name HD1 )) OR { 433} (( segid "RW16" and resid 2 and name HE )) (( segid "RW16" and resid 2 and name HD2 )) ASSI { 436} (( segid "RW16" and resid 10 and name HE3 )) (( segid "RW16" and resid 10 and name HB2 )) 2.900 1.000 1.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.16183E-02 ppm1 7.219 ppm2 2.935 CV 1 OR { 436} (( segid "RW16" and resid 13 and name HE )) (( segid "RW16" and resid 13 and name HD2 )) OR { 436} (( segid "RW16" and resid 2 and name HE )) (( segid "RW16" and resid 2 and name HD1 )) OR { 436} (( segid "RW16" and resid 2 and name HE )) (( segid "RW16" and resid 2 and name HD2 )) OR { 436} (( segid "RW16" and resid 13 and name HE )) (( segid "RW16" and resid 13 and name HD1 )) ASSI { 440} (( segid "RW16" and resid 3 and name HZ2 )) (( segid "RW16" and resid 3 and name HH2 )) 2.000 0.500 0.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.17661E-01 ppm1 7.297 ppm2 6.854 CV 1 OR { 440} (( segid "RW16" and resid 14 and name HZ2 )) (( segid "RW16" and resid 14 and name HZ3 )) OR { 440} (( segid "RW16" and resid 11 and name HZ2 )) (( segid "RW16" and resid 11 and name HZ3 )) ASSI { 441} (( segid "RW16" and resid 3 and name HE3 )) (( segid "RW16" and resid 3 and name HZ3 )) 2.100 0.600 0.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.11075E-01 ppm1 7.328 ppm2 6.630 CV 1 OR { 441} (( segid "RW16" and resid 6 and name HE3 )) (( segid "RW16" and resid 6 and name HZ3 )) ASSI { 447} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 15 and name HD1 )) 3.300 1.400 1.400 peak 447 spectrum 1 weight 0.10000E+01 volume 0.93635E-03 ppm1 7.342 ppm2 2.661 CV 1 OR { 447} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 15 and name HD2 )) OR { 447} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 14 and name HB1 )) OR { 447} (( segid "RW16" and resid 11 and name HZ2 )) (( segid "RW16" and resid 15 and name HD1 )) OR { 447} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 15 and name HD1 )) OR { 447} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 15 and name HD2 )) ASSI { 451} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 451 spectrum 1 weight 0.10000E+01 volume 0.17181E-02 ppm1 7.358 ppm2 2.929 CV 1 OR { 451} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HD2 )) OR { 451} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HD1 )) OR { 451} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 11 and name HB2 )) OR { 451} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 14 and name HB2 )) OR { 451} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 10 and name HB2 )) ASSI { 452} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 11 and name HB1 )) 3.000 1.100 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.13012E-02 ppm1 7.358 ppm2 2.772 CV 1 OR { 452} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 11 and name HB1 )) ASSI { 454} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HB1 )) 2.600 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.35326E-02 ppm1 7.361 ppm2 1.650 CV 1 OR { 454} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 12 and name HB2 )) OR { 454} (( segid "RW16" and resid 1 and name HE )) (( segid "RW16" and resid 1 and name HB1 )) OR { 454} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HB2 )) OR { 454} (( segid "RW16" and resid 1 and name HE )) (( segid "RW16" and resid 1 and name HB2 )) ASSI { 455} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HG2 )) 3.000 1.100 1.100 peak 455 spectrum 1 weight 0.10000E+01 volume 0.14653E-02 ppm1 7.361 ppm2 1.425 CV 1 OR { 455} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HG1 )) OR { 455} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 15 and name HB2 )) OR { 455} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 12 and name HG1 )) OR { 455} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 12 and name HG2 )) ASSI { 457} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 14 and name HN )) 2.600 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.30254E-02 ppm1 7.362 ppm2 7.830 CV 1 OR { 457} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 10 and name HN )) ASSI { 458} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 12 and name HB1 )) 3.200 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.86071E-03 ppm1 7.362 ppm2 1.569 CV 1 OR { 458} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 12 and name HB1 )) OR { 458} (( segid "RW16" and resid 3 and name HE3 )) (( segid "RW16" and resid 4 and name HB1 )) ASSI { 459} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 15 and name HB1 )) 3.700 1.700 1.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.45547E-03 ppm1 7.363 ppm2 1.289 CV 1 OR { 459} (( segid "RW16" and resid 3 and name HE3 )) (( segid "RW16" and resid 4 and name HG2 )) OR { 459} (( segid "RW16" and resid 3 and name HE3 )) (( segid "RW16" and resid 4 and name HG1 )) OR { 459} (( segid "RW16" and resid 11 and name HZ2 )) (( segid "RW16" and resid 15 and name HB1 )) OR { 459} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 9 and name HG2 )) OR { 459} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 9 and name HG1 )) ASSI { 461} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HB1 )) 2.400 0.700 0.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.51391E-02 ppm1 7.365 ppm2 1.702 CV 1 OR { 461} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 12 and name HB2 )) OR { 461} (( segid "RW16" and resid 13 and name HN )) (( segid "RW16" and resid 13 and name HB2 )) OR { 461} (( segid "RW16" and resid 11 and name HE3 )) (( segid "RW16" and resid 16 and name HB2 )) ASSI { 463} (( segid "RW16" and resid 3 and name HE3 )) (( segid "RW16" and resid 4 and name HA )) 3.000 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.16190E-02 ppm1 7.382 ppm2 3.762 CV 1 OR { 463} (( segid "RW16" and resid 7 and name HE3 )) (( segid "RW16" and resid 4 and name HA )) ASSI { 464} (( segid "RW16" and resid 7 and name HE3 )) (( segid "RW16" and resid 7 and name HA )) 3.300 1.300 1.300 peak 464 spectrum 1 weight 0.10000E+01 volume 0.98471E-03 ppm1 7.394 ppm2 4.240 CV 1 OR { 464} (( segid "RW16" and resid 6 and name HE3 )) (( segid "RW16" and resid 6 and name HA )) ASSI { 465} (( segid "RW16" and resid 4 and name HE )) (( segid "RW16" and resid 4 and name HD1 )) 2.900 1.100 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.15245E-02 ppm1 7.397 ppm2 3.034 CV 1 OR { 465} (( segid "RW16" and resid 1 and name HE )) (( segid "RW16" and resid 1 and name HD1 )) OR { 465} (( segid "RW16" and resid 1 and name HE )) (( segid "RW16" and resid 1 and name HD2 )) OR { 465} (( segid "RW16" and resid 4 and name HE )) (( segid "RW16" and resid 4 and name HD2 )) ASSI { 468} (( segid "RW16" and resid 7 and name HE3 )) (( segid "RW16" and resid 7 and name HN )) 4.100 2.100 1.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.41887E-03 ppm1 7.411 ppm2 8.103 CV 1 OR { 468} (( segid "RW16" and resid 4 and name HE )) (( segid "RW16" and resid 7 and name HN )) ASSI { 476} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 14 and name HE3 )) 3.300 1.300 1.300 peak 476 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 7.520 ppm2 7.113 CV 1 OR { 476} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 16 and name HE )) OR { 476} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 6 and name HD1 )) OR { 476} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HE )) ASSI { 478} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 13 and name HA )) 3.000 3.000 3.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.13495E-02 ppm1 7.525 ppm2 3.901 CV 1 OR { 478} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 13 and name HA )) OR { 478} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 5 and name HA )) ASSI { 482} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 11 and name HB2 )) 3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.28062E-02 ppm1 7.539 ppm2 2.928 CV 1 OR { 482} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HD1 )) OR { 482} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HD2 )) OR { 482} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 10 and name HB2 )) ASSI { 483} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HB1 )) 2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18799E-02 ppm1 7.540 ppm2 1.472 CV 1 OR { 483} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HB2 )) OR { 483} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 12 and name HG2 )) OR { 483} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 12 and name HG1 )) OR { 483} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 16 and name HG2 )) ASSI { 487} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HB2 )) 2.400 0.700 0.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.50799E-02 ppm1 7.548 ppm2 1.710 CV 1 OR { 487} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 16 and name HB2 )) OR { 487} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 12 and name HB2 )) OR { 487} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 16 and name HB1 )) ASSI { 488} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HB2 )) 3.000 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.13226E-02 ppm1 7.549 ppm2 1.405 CV 1 OR { 488} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 8 and name HG1 )) OR { 488} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 8 and name HG2 )) ASSI { 490} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HB1 )) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.49649E-03 ppm1 7.551 ppm2 1.359 CV 1 OR { 490} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 8 and name HG1 )) OR { 490} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 8 and name HG2 )) ASSI { 491} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HB1 )) 2.800 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.27242E-02 ppm1 7.552 ppm2 1.498 CV 1 OR { 491} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 12 and name HG2 )) OR { 491} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 12 and name HG1 )) OR { 491} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 16 and name HG2 )) OR { 491} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 16 and name HG1 )) ASSI { 492} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 14 and name HB2 )) 2.900 2.900 3.100 peak 492 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 7.554 ppm2 2.874 CV 1 OR { 492} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 13 and name HD2 )) OR { 492} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 13 and name HD1 )) OR { 492} (( segid "RW16" and resid 12 and name HN )) (( segid "RW16" and resid 14 and name HB2 )) OR { 492} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 13 and name HD2 )) OR { 492} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 13 and name HD1 )) ASSI { 494} (( segid "RW16" and resid 16 and name HN )) (( segid "RW16" and resid 15 and name HB1 )) 3.000 1.100 1.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 7.554 ppm2 1.287 CV 1 OR { 494} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HG1 )) OR { 494} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HG2 )) ASSI { 496} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 2 and name HG1 )) 3.200 1.200 1.200 peak 496 spectrum 1 weight 0.10000E+01 volume 0.11387E-02 ppm1 7.575 ppm2 1.253 CV 1 OR { 496} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HG1 )) OR { 496} (( segid "RW16" and resid 9 and name HN )) (( segid "RW16" and resid 9 and name HG2 )) OR { 496} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 2 and name HG2 )) ASSI { 502} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 2 and name HB2 )) 3.000 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.10888E-02 ppm1 7.629 ppm2 1.508 CV 1 OR { 502} (( segid "RW16" and resid 3 and name HN )) (( segid "RW16" and resid 4 and name HB1 )) ASSI { 506} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 14 and name HE3 )) 2.900 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.18373E-02 ppm1 7.697 ppm2 7.155 CV 1 OR { 506} (( segid "RW16" and resid 6 and name HN )) (( segid "RW16" and resid 6 and name HD1 )) OR { 506} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 15 and name HE )) ASSI { 517} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 15 and name HB2 )) 2.600 0.900 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.23495E-02 ppm1 7.730 ppm2 1.412 CV 1 OR { 517} (( segid "RW16" and resid 6 and name HN )) (( segid "RW16" and resid 5 and name HG2 )) ASSI { 518} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 15 and name HB1 )) 2.700 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.35326E-02 ppm1 7.730 ppm2 1.292 CV 1 OR { 518} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 4 and name HG2 )) OR { 518} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 4 and name HG1 )) ASSI { 519} (( segid "RW16" and resid 6 and name HN )) (( segid "RW16" and resid 5 and name HB2 )) 2.800 1.000 1.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 7.731 ppm2 1.661 CV 1 OR { 519} (( segid "RW16" and resid 6 and name HN )) (( segid "RW16" and resid 5 and name HB1 )) OR { 519} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 1 and name HB2 )) OR { 519} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 1 and name HB1 )) ASSI { 523} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 15 and name HD2 )) 2.800 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.15218E-02 ppm1 7.744 ppm2 2.668 CV 1 OR { 523} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 14 and name HB1 )) OR { 523} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 15 and name HD1 )) ASSI { 524} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 2 and name HA )) 3.200 1.300 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 7.752 ppm2 3.998 CV 1 OR { 524} (( segid "RW16" and resid 15 and name HN )) (( segid "RW16" and resid 16 and name HA )) ASSI { 526} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 4 and name HB1 )) 2.600 0.900 0.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.35552E-02 ppm1 7.777 ppm2 1.563 CV 1 OR { 526} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 8 and name HB2 )) ASSI { 529} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 2 and name HA )) 3.100 1.200 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 7.793 ppm2 3.999 CV 1 OR { 529} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 2 and name HA )) ASSI { 534} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 10 and name HD1 )) 3.200 1.200 1.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.15451E-02 ppm1 7.800 ppm2 6.621 CV 1 OR { 534} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 3 and name HZ3 )) OR { 534} (( segid "RW16" and resid 14 and name HN )) (( segid "RW16" and resid 10 and name HD1 )) OR { 534} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 10 and name HD1 )) OR { 534} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 6 and name HZ3 )) ASSI { 536} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 9 and name HN )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.54032E-02 ppm1 7.803 ppm2 7.548 CV 1 OR { 536} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 9 and name HN )) ASSI { 537} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 10 and name HB2 )) 2.800 1.000 1.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.35574E-02 ppm1 7.804 ppm2 2.991 CV 1 OR { 537} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 8 and name HD1 )) OR { 537} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 8 and name HD2 )) OR { 537} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 4 and name HD1 )) OR { 537} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 4 and name HD2 )) OR { 537} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 5 and name HD2 )) OR { 537} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 5 and name HD1 )) ASSI { 542} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 9 and name HB1 )) 2.900 1.100 1.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 7.809 ppm2 1.494 CV 1 OR { 542} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 5 and name HG1 )) OR { 542} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 5 and name HG2 )) OR { 542} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 2 and name HB2 )) OR { 542} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 1 and name HG1 )) OR { 542} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 9 and name HB1 )) ASSI { 544} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 5 and name HB1 )) 2.300 0.700 0.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.57336E-02 ppm1 7.813 ppm2 1.660 CV 1 OR { 544} (( segid "RW16" and resid 14 and name HN )) (( segid "RW16" and resid 13 and name HB1 )) OR { 544} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 5 and name HB2 )) OR { 544} (( segid "RW16" and resid 14 and name HN )) (( segid "RW16" and resid 13 and name HB2 )) OR { 544} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 8 and name HB1 )) OR { 544} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 9 and name HB2 )) ASSI { 545} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 4 and name HG2 )) 2.900 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.17339E-02 ppm1 7.813 ppm2 1.293 CV 1 OR { 545} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 4 and name HG1 )) OR { 545} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 9 and name HG2 )) OR { 545} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 9 and name HG1 )) OR { 545} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 4 and name HG2 )) OR { 545} (( segid "RW16" and resid 5 and name HN )) (( segid "RW16" and resid 4 and name HG1 )) ASSI { 546} (( segid "RW16" and resid 8 and name HN )) (( segid "RW16" and resid 7 and name HD1 )) 3.000 1.100 1.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.15816E-02 ppm1 7.813 ppm2 7.038 CV 1 OR { 546} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 3 and name HD1 )) ASSI { 548} (( segid "RW16" and resid 14 and name HN )) (( segid "RW16" and resid 13 and name HN )) 2.500 0.800 0.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.39718E-02 ppm1 7.820 ppm2 7.354 CV 1 OR { 548} (( segid "RW16" and resid 4 and name HN )) (( segid "RW16" and resid 3 and name HE3 )) OR { 548} (( segid "RW16" and resid 10 and name HN )) (( segid "RW16" and resid 13 and name HN )) ASSI { 562} (( segid "RW16" and resid 7 and name HN )) (( segid "RW16" and resid 6 and name HE3 )) 2.800 1.000 1.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.24506E-02 ppm1 8.106 ppm2 7.337 CV 1 OR { 562} (( segid "RW16" and resid 7 and name HN )) (( segid "RW16" and resid 3 and name HE3 )) ASSI { 567} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 10 and name HE3 )) 3.200 3.200 2.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.12240E-02 ppm1 8.310 ppm2 7.199 CV 1 OR { 567} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 13 and name HE )) ASSI { 569} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 11 and name HB1 )) 2.900 1.000 1.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.21926E-02 ppm1 8.315 ppm2 2.771 CV 1 OR { 569} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 10 and name HB1 )) ASSI { 574} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 13 and name HN )) 3.500 1.500 1.500 peak 574 spectrum 1 weight 0.10000E+01 volume 0.65940E-03 ppm1 8.324 ppm2 7.356 CV 1 OR { 574} (( segid "RW16" and resid 11 and name HN )) (( segid "RW16" and resid 11 and name HE3 )) ASSI { 581} (( segid "RW16" and resid 2 and name HN )) (( segid "RW16" and resid 2 and name HB1 )) 2.600 0.800 0.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.36177E-02 ppm1 8.472 ppm2 1.588 CV 1 OR { 581} (( segid "RW16" and resid 2 and name HN )) (( segid "RW16" and resid 1 and name HB2 )) OR { 581} (( segid "RW16" and resid 2 and name HN )) (( segid "RW16" and resid 1 and name HB1 )) ASSI { 588} (( segid "RW16" and resid 2 and name HN )) (( segid "RW16" and resid 2 and name HB2 )) 2.900 1.000 1.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.19367E-02 ppm1 8.488 ppm2 1.511 CV 1 OR { 588} (( segid "RW16" and resid 2 and name HN )) (( segid "RW16" and resid 1 and name HG2 )) ASSI { 595} (( segid "RW16" and resid 7 and name HE1 )) (( segid "RW16" and resid 8 and name HA )) 3.800 1.800 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.50589E-03 ppm1 9.644 ppm2 3.762 CV 1 OR { 595} (( segid "RW16" and resid 7 and name HE1 )) (( segid "RW16" and resid 4 and name HA ))
Contact the webmaster for help, if required. Monday, April 29, 2024 4:29:18 AM GMT (wattos1)