NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
610705 | 2k38 | 17015 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3} (( segid " " and resid 24 and name HE21)) (( segid " " and resid 24 and name HE22)) 1.700 0.400 0.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.38125E-01 ppm1 7.306 ppm2 6.737 CV 1 ASSI { 6} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB3 )) 1.600 0.300 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.27720E-01 ppm1 3.351 ppm2 3.193 CV 1 ASSI { 8} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB )) 2.200 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.12682E-01 ppm1 8.717 ppm2 2.268 CV 1 ASSI { 9} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HB% ) 2.500 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.14174E-01 ppm1 8.749 ppm2 1.594 CV 1 ASSI { 11} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HB% ) 2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.14056E-01 ppm1 8.417 ppm2 1.437 CV 1 ASSI { 13} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HG1%) 3.200 1.300 1.300 peak 13 spectrum 1 weight 0.10000E+01 volume 0.10326E-01 ppm1 8.204 ppm2 1.135 CV 1 OR { 13} (( segid " " and resid 15 and name HN )) ( segid " " and resid 17 and name HG1%) ASSI { 16} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.300 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.19475E-01 ppm1 1.631 ppm2 8.254 CV 1 ASSI { 18} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.20025E-01 ppm1 1.626 ppm2 8.302 CV 1 ASSI { 19} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.300 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.15902E-01 ppm1 8.310 ppm2 2.280 CV 1 OR { 19} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB3 )) OR { 19} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB )) ASSI { 20} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HN )) 2.200 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.18258E-01 ppm1 2.280 ppm2 8.310 CV 1 OR { 20} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HN )) ASSI { 21} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.300 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.35848E-01 ppm1 8.173 ppm2 2.294 CV 1 OR { 21} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB3 )) ASSI { 22} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.900 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.74994E-02 ppm1 8.201 ppm2 2.258 CV 1 OR { 22} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB3 )) ASSI { 23} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10248E-01 ppm1 2.258 ppm2 8.201 CV 1 OR { 23} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HN )) OR { 23} (( segid " " and resid 17 and name HB )) (( segid " " and resid 15 and name HN )) ASSI { 24} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB )) 2.500 0.800 0.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13271E-01 ppm1 8.201 ppm2 2.200 CV 1 OR { 24} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HB3 )) ASSI { 27} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.400 0.700 0.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10209E-01 ppm1 8.146 ppm2 2.951 CV 1 OR { 27} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 28} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.100 1.200 1.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.52221E-02 ppm1 8.254 ppm2 4.194 CV 1 ASSI { 31} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.93841E-02 ppm1 4.275 ppm2 8.154 CV 1 OR { 31} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) OR { 31} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HN )) ASSI { 32} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.900 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.62430E-02 ppm1 8.030 ppm2 4.281 CV 1 ASSI { 34} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) 2.900 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.76957E-02 ppm1 8.000 ppm2 4.248 CV 1 OR { 34} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) ASSI { 36} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.600 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.11504E-01 ppm1 7.953 ppm2 4.218 CV 1 ASSI { 39} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.91092E-02 ppm1 4.190 ppm2 7.981 CV 1 OR { 39} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 40} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.600 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.12525E-01 ppm1 7.916 ppm2 4.103 CV 1 ASSI { 41} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.900 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.71068E-02 ppm1 4.103 ppm2 7.916 CV 1 OR { 41} (( segid " " and resid 27 and name HA )) (( segid " " and resid 29 and name HN )) ASSI { 43} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB3 )) 3.100 1.200 1.200 peak 43 spectrum 1 weight 0.10000E+01 volume 0.11426E-01 ppm1 8.006 ppm2 3.188 CV 1 ASSI { 44} ( segid " " and resid 4 and name HB% ) (( segid " " and resid 4 and name HN )) 2.500 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.13232E-01 ppm1 1.559 ppm2 8.000 CV 1 ASSI { 46} ( segid " " and resid 26 and name HB% ) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.17512E-01 ppm1 1.579 ppm2 8.030 CV 1 ASSI { 51} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HA )) 2.100 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.33806E-01 ppm1 2.084 ppm2 4.218 CV 1 OR { 51} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HA )) ASSI { 53} ( segid " " and resid 22 and name HB% ) (( segid " " and resid 22 and name HA )) 2.200 0.600 0.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.39068E-01 ppm1 1.651 ppm2 4.275 CV 1 ASSI { 54} ( segid " " and resid 26 and name HB% ) (( segid " " and resid 26 and name HA )) 2.600 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.13625E-01 ppm1 1.579 ppm2 4.281 CV 1 ASSI { 56} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 21 and name HA )) 2.300 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.29998E-01 ppm1 1.594 ppm2 4.207 CV 1 OR { 56} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HA )) ASSI { 58} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HA )) 2.000 0.500 0.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.56540E-01 ppm1 1.631 ppm2 4.194 CV 1 OR { 58} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HA )) OR { 58} (( segid " " and resid 19 and name HG3 )) (( segid " " and resid 19 and name HA )) ASSI { 60} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB3 )) 2.300 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.26699E-01 ppm1 4.072 ppm2 1.923 CV 1 OR { 60} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) OR { 60} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HD3 )) ASSI { 62} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 10 and name HA )) 2.400 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.19750E-01 ppm1 1.437 ppm2 4.007 CV 1 ASSI { 64} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14410E-01 ppm1 1.006 ppm2 4.072 CV 1 OR { 64} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HA )) ASSI { 66} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.91878E-02 ppm1 1.063 ppm2 3.844 CV 1 ASSI { 69} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.93056E-02 ppm1 1.057 ppm2 3.902 CV 1 ASSI { 70} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HG3 )) 1.900 0.400 0.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.14214E-01 ppm1 2.814 ppm2 2.682 CV 1 ASSI { 72} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HB3 )) 1.400 0.200 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.80884E-01 ppm1 2.285 ppm2 2.190 CV 1 ASSI { 74} (( segid " " and resid 13 and name HB )) ( segid " " and resid 13 and name HG1%) 2.200 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.24972E-01 ppm1 2.268 ppm2 1.128 CV 1 OR { 74} (( segid " " and resid 17 and name HB )) ( segid " " and resid 17 and name HG1%) ASSI { 78} (( segid " " and resid 29 and name HB )) ( segid " " and resid 29 and name HG2%) 2.600 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.11190E-01 ppm1 2.317 ppm2 1.063 CV 1 ASSI { 81} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HB )) 2.800 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.60859E-02 ppm1 1.018 ppm2 2.268 CV 1 ASSI { 82} (( segid " " and resid 17 and name HB )) ( segid " " and resid 17 and name HG2%) 2.200 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.25011E-01 ppm1 2.262 ppm2 1.038 CV 1 ASSI { 84} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HG2%) 2.400 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.15470E-01 ppm1 2.200 ppm2 1.057 CV 1 ASSI { 86} (( segid " " and resid 30 and name HB )) ( segid " " and resid 30 and name HG1%) 2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.13821E-01 ppm1 2.200 ppm2 1.135 CV 1 ASSI { 88} (( segid " " and resid 9 and name HG )) ( segid " " and resid 9 and name HD2%) 2.400 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.12839E-01 ppm1 1.961 ppm2 1.006 CV 1 OR { 88} (( segid " " and resid 9 and name HG )) ( segid " " and resid 9 and name HD1%) ASSI { 90} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 9 and name HD1%) 2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.11622E-01 ppm1 1.923 ppm2 1.006 CV 1 OR { 90} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 9 and name HD2%) ASSI { 92} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HB2 )) 1.400 0.200 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.45546E-01 ppm1 1.688 ppm2 1.923 CV 1 ASSI { 94} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HN )) 2.200 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.11583E-01 ppm1 7.678 ppm2 8.006 CV 1 OR { 94} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) ASSI { 95} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.600 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.57325E-02 ppm1 8.146 ppm2 8.310 CV 1 OR { 95} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HN )) ASSI { 97} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.97375E-02 ppm1 8.201 ppm2 8.310 CV 1 OR { 97} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HN )) ASSI { 99} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.100 0.600 0.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.71460E-02 ppm1 8.201 ppm2 7.928 CV 1 ASSI { 102} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 2.400 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.69890E-02 ppm1 7.901 ppm2 8.204 CV 1 ASSI { 103} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 11 and name HN )) 3.800 1.800 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.70282E-02 ppm1 1.962 ppm2 7.696 CV 1 OR { 103} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HN )) ASSI { 106} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 30 and name HN )) 3.100 1.200 1.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.78921E-02 ppm1 1.057 ppm2 8.204 CV 1 OR { 106} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 30 and name HN )) OR { 106} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 15 and name HN )) ASSI { 107} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB )) 2.600 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.68319E-02 ppm1 8.660 ppm2 2.262 CV 1 ASSI { 109} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.900 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.56147E-02 ppm1 3.902 ppm2 8.204 CV 1 ASSI { 111} (( segid " " and resid 17 and name HB )) (( segid " " and resid 17 and name HA )) 3.200 1.200 1.200 peak 111 spectrum 1 weight 0.10000E+01 volume 0.54577E-02 ppm1 2.262 ppm2 3.738 CV 1 ASSI { 113} (( segid " " and resid 30 and name HB )) (( segid " " and resid 30 and name HA )) 3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.48687E-02 ppm1 2.200 ppm2 3.902 CV 1 ASSI { 116} ( segid " " and resid 29 and name HG1%) ( segid " " and resid 29 and name HG2%) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.25404E-01 ppm1 1.196 ppm2 1.063 CV 1 ASSI { 117} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.700 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.75779E-02 ppm1 8.529 ppm2 4.072 CV 1 OR { 117} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 120} (( segid " " and resid 25 and name HA1 )) (( segid " " and resid 25 and name HN )) 3.400 1.400 1.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.56540E-02 ppm1 4.096 ppm2 8.348 CV 1 ASSI { 122} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HG3 )) 3.200 1.300 1.300 peak 122 spectrum 1 weight 0.10000E+01 volume 0.43190E-02 ppm1 2.258 ppm2 2.682 CV 1 OR { 122} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG3 )) ASSI { 123} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HN )) 3.200 1.300 1.300 peak 123 spectrum 1 weight 0.10000E+01 volume 0.63215E-02 ppm1 2.878 ppm2 8.146 CV 1 OR { 123} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 32 and name HN )) ASSI { 126} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.100 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10719E-01 ppm1 7.928 ppm2 2.190 CV 1 ASSI { 127} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.12211E-01 ppm1 2.285 ppm2 7.928 CV 1 OR { 127} (( segid " " and resid 13 and name HB )) (( segid " " and resid 12 and name HN )) OR { 127} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 35 and name HN )) ASSI { 129} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 1.900 0.500 0.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.11936E-01 ppm1 8.529 ppm2 1.923 CV 1 ASSI { 132} (( segid " " and resid 9 and name HG )) (( segid " " and resid 9 and name HN )) 4.300 2.300 1.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.12133E-02 ppm1 1.961 ppm2 8.529 CV 1 ASSI { 133} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB3 )) 2.700 0.900 0.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.89522E-02 ppm1 4.072 ppm2 1.688 CV 1 ASSI { 135} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 14 and name HN )) 3.600 1.600 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.45939E-02 ppm1 1.128 ppm2 8.302 CV 1 ASSI { 138} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HB3 )) 2.500 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.62037E-02 ppm1 7.358 ppm2 3.354 CV 1 ASSI { 140} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HB2 )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.65571E-02 ppm1 7.358 ppm2 3.429 CV 1 ASSI { 142} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.76172E-02 ppm1 8.006 ppm2 4.349 CV 1 OR { 142} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 144} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.400 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.66749E-02 ppm1 3.275 ppm2 8.006 CV 1 ASSI { 146} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB3 )) 2.100 0.500 0.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.99730E-02 ppm1 7.926 ppm2 3.354 CV 1 OR { 146} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HB2 )) ASSI { 147} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HA )) 3.300 1.300 1.300 peak 147 spectrum 1 weight 0.10000E+01 volume 0.44368E-02 ppm1 2.589 ppm2 4.258 CV 1 OR { 147} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HA )) ASSI { 149} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HA )) 2.800 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10641E-01 ppm1 2.574 ppm2 4.285 CV 1 OR { 149} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HA )) ASSI { 151} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HB3 )) 2.100 0.500 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.51436E-01 ppm1 2.574 ppm2 2.294 CV 1 OR { 151} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HB2 )) OR { 151} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HB3 )) OR { 151} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HB2 )) OR { 151} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HB3 )) ASSI { 153} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HB3 )) 2.800 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.83632E-02 ppm1 2.532 ppm2 2.280 CV 1 OR { 153} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HB3 )) OR { 153} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HB2 )) OR { 153} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HB2 )) ASSI { 154} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.69497E-02 ppm1 4.281 ppm2 7.916 CV 1 ASSI { 157} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 3.300 1.300 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.40835E-02 ppm1 8.204 ppm2 3.844 CV 1 ASSI { 159} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.12172E-01 ppm1 8.146 ppm2 3.902 CV 1 OR { 159} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HA )) ASSI { 160} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.500 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.29291E-02 ppm1 8.348 ppm2 4.285 CV 1 ASSI { 162} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) 2.900 1.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.49080E-02 ppm1 4.103 ppm2 7.858 CV 1 ASSI { 165} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.88344E-02 ppm1 8.201 ppm2 4.267 CV 1 ASSI { 166} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HN )) 3.300 1.300 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.42012E-02 ppm1 4.078 ppm2 8.417 CV 1 OR { 166} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HN )) ASSI { 168} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 11 and name HN )) 3.300 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.70282E-02 ppm1 1.437 ppm2 7.696 CV 1 ASSI { 169} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HB% ) 3.300 1.400 1.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.67141E-02 ppm1 7.696 ppm2 1.437 CV 1 OR { 169} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HG3 )) ASSI { 170} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.71853E-02 ppm1 1.918 ppm2 7.916 CV 1 OR { 170} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HN )) OR { 170} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HN )) ASSI { 172} (( segid " " and resid 27 and name HA )) (( segid " " and resid 30 and name HB )) 3.300 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.34866E-02 ppm1 4.103 ppm2 2.200 CV 1 ASSI { 175} (( segid " " and resid 17 and name HB )) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.92663E-02 ppm1 2.262 ppm2 4.114 CV 1 OR { 175} (( segid " " and resid 13 and name HB )) (( segid " " and resid 14 and name HA )) ASSI { 176} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 25 and name HN )) 3.300 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.73031E-02 ppm1 2.294 ppm2 8.348 CV 1 OR { 176} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 25 and name HN )) ASSI { 178} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.600 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.79313E-02 ppm1 1.923 ppm2 8.417 CV 1 ASSI { 180} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HG1%) 3.700 1.700 1.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.24304E-02 ppm1 8.146 ppm2 1.135 CV 1 OR { 180} (( segid " " and resid 20 and name HN )) ( segid " " and resid 17 and name HG1%) ASSI { 181} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 31 and name HN )) 3.500 1.500 1.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.50258E-02 ppm1 1.135 ppm2 8.146 CV 1 OR { 181} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 32 and name HN )) OR { 181} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 20 and name HN )) ASSI { 182} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HG2%) 3.600 1.600 1.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.34238E-02 ppm1 8.146 ppm2 1.057 CV 1 ASSI { 183} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 31 and name HN )) 3.800 1.800 1.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.62822E-02 ppm1 1.057 ppm2 8.146 CV 1 OR { 183} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 31 and name HN )) OR { 183} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 32 and name HN )) OR { 183} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 32 and name HN )) ASSI { 184} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB )) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.40442E-02 ppm1 8.146 ppm2 2.200 CV 1 ASSI { 185} (( segid " " and resid 30 and name HB )) (( segid " " and resid 31 and name HN )) 3.100 1.200 1.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.51043E-02 ppm1 2.200 ppm2 8.146 CV 1 OR { 185} (( segid " " and resid 30 and name HB )) (( segid " " and resid 32 and name HN )) ASSI { 186} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG3 )) 4.300 2.300 1.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.33374E-02 ppm1 8.146 ppm2 1.497 CV 1 OR { 186} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) OR { 186} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG3 )) ASSI { 187} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HN )) 4.000 2.000 2.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.36908E-02 ppm1 1.497 ppm2 8.146 CV 1 OR { 187} (( segid " " and resid 32 and name HG3 )) (( segid " " and resid 32 and name HN )) ASSI { 189} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.22891E-01 ppm1 8.146 ppm2 4.172 CV 1 OR { 189} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 191} (( segid " " and resid 32 and name HE3 )) (( segid " " and resid 32 and name HG2 )) 2.800 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.79313E-02 ppm1 3.062 ppm2 1.497 CV 1 OR { 191} (( segid " " and resid 32 and name HE3 )) (( segid " " and resid 32 and name HG3 )) OR { 191} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HG2 )) OR { 191} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HG3 )) OR { 191} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 7 and name HG2 )) ASSI { 193} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) 2.500 2.500 3.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12133E-01 ppm1 8.191 ppm2 2.078 CV 1 OR { 193} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) OR { 193} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB3 )) ASSI { 195} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HB2 )) 2.500 0.800 0.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.26385E-01 ppm1 1.792 ppm2 2.078 CV 1 OR { 195} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HB2 )) ASSI { 196} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB )) 2.200 0.600 0.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.15706E-01 ppm1 8.254 ppm2 2.262 CV 1 ASSI { 198} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HN )) 5.800 4.200 0.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.31686E-03 ppm1 2.298 ppm2 8.132 CV 1 OR { 198} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 32 and name HN )) OR { 198} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 32 and name HN )) ASSI { 202} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.57325E-02 ppm1 8.201 ppm2 4.461 CV 1 OR { 202} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HA )) ASSI { 204} (( segid " " and resid 35 and name H1 )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.47902E-02 ppm1 7.312 ppm2 7.928 CV 1 ASSI { 207} (( segid " " and resid 25 and name HA1 )) (( segid " " and resid 26 and name HN )) 2.900 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.11622E-01 ppm1 4.096 ppm2 8.030 CV 1 OR { 207} (( segid " " and resid 14 and name HA )) (( segid " " and resid 16 and name HN )) ASSI { 209} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA1 )) 2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.14017E-01 ppm1 8.000 ppm2 4.034 CV 1 OR { 209} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) ASSI { 210} (( segid " " and resid 3 and name HA2 )) (( segid " " and resid 4 and name HN )) 3.300 1.400 1.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.38989E-02 ppm1 3.950 ppm2 8.000 CV 1 ASSI { 212} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HB% ) 3.100 1.200 1.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.17904E-01 ppm1 8.191 ppm2 1.626 CV 1 OR { 212} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG2 )) OR { 212} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HG3 )) ASSI { 215} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 29 and name HN )) 3.100 1.200 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.49865E-02 ppm1 1.063 ppm2 7.901 CV 1 OR { 215} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 29 and name HN )) ASSI { 216} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB3 )) 3.000 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.62430E-02 ppm1 7.960 ppm2 3.188 CV 1 ASSI { 218} ( segid " " and resid 8 and name HD% ) ( segid " " and resid 9 and name HD1%) 4.400 2.400 1.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.21399E-02 ppm1 7.358 ppm2 1.006 CV 1 OR { 218} ( segid " " and resid 8 and name HD% ) ( segid " " and resid 9 and name HD2%) ASSI { 219} ( segid " " and resid 9 and name HD2%) ( segid " " and resid 8 and name HD% ) 3.200 1.300 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.41620E-02 ppm1 1.006 ppm2 7.358 CV 1 ASSI { 220} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 14 and name HA )) 3.300 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.80098E-02 ppm1 1.142 ppm2 4.114 CV 1 OR { 220} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 14 and name HA )) OR { 220} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 27 and name HA )) ************************************************** ASSI { 222} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.71068E-02 ppm1 2.280 ppm2 3.902 CV 1 OR { 222} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 30 and name HA )) ASSI { 224} (( segid " " and resid 13 and name HB )) (( segid " " and resid 13 and name HA )) 2.900 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.71068E-02 ppm1 2.268 ppm2 3.674 CV 1 ASSI { 226} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HB )) 3.800 1.800 1.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.53399E-02 ppm1 1.626 ppm2 2.262 CV 1 OR { 226} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 13 and name HB )) OR { 226} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 17 and name HB )) ASSI { 227} (( segid " " and resid 17 and name HB )) ( segid " " and resid 18 and name HB% ) 3.600 1.700 1.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.56933E-02 ppm1 2.262 ppm2 1.626 CV 1 OR { 227} (( segid " " and resid 13 and name HB )) ( segid " " and resid 14 and name HB% ) ASSI { 228} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 21 and name HB% ) 3.300 1.400 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.60466E-02 ppm1 2.294 ppm2 1.594 CV 1 OR { 228} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 23 and name HG2 )) OR { 228} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 23 and name HG3 )) ASSI { 229} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 20 and name HB3 )) 3.500 1.500 1.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.42798E-02 ppm1 1.594 ppm2 2.294 CV 1 OR { 229} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 20 and name HB3 )) OR { 229} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 20 and name HB3 )) OR { 229} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 24 and name HB2 )) OR { 229} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 24 and name HB2 )) OR { 229} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 24 and name HB3 )) ASSI { 230} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 12 and name HB3 )) 2.700 2.700 3.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.31529E-01 ppm1 1.688 ppm2 2.034 CV 1 OR { 230} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 12 and name HB2 )) ASSI { 231} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 21 and name HN )) 3.900 1.900 1.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.47902E-02 ppm1 2.298 ppm2 8.749 CV 1 ASSI { 232} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HG2 )) 3.200 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.34513E-02 ppm1 2.280 ppm2 2.532 CV 1 OR { 232} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HG3 )) OR { 232} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HG2 )) OR { 232} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HG3 )) ASSI { 233} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB3 )) 2.800 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.15588E-01 ppm1 8.146 ppm2 1.938 CV 1 OR { 233} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB3 )) ASSI { 236} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 1.800 0.400 0.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.32196E-01 ppm1 1.964 ppm2 8.146 CV 1 OR { 236} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 31 and name HN )) ASSI { 237} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.19357E-01 ppm1 2.084 ppm2 8.173 CV 1 OR { 237} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 24 and name HN )) OR { 237} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 24 and name HN )) OR { 237} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 22 and name HN )) ASSI { 239} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.400 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.19907E-01 ppm1 7.943 ppm2 4.072 CV 1 OR { 239} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) OR { 239} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) OR { 239} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 243} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB3 )) 2.300 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.26268E-01 ppm1 7.943 ppm2 2.034 CV 1 OR { 243} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 243} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) ASSI { 244} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB3 )) 2.600 0.800 0.800 peak 244 spectrum 1 weight 0.10000E+01 volume 0.21438E-01 ppm1 7.953 ppm2 2.084 CV 1 OR { 244} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) ASSI { 246} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HN )) 2.600 2.600 3.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.35023E-01 ppm1 1.921 ppm2 7.943 CV 1 OR { 246} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 7 and name HN )) ASSI { 247} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.33924E-01 ppm1 7.943 ppm2 1.921 CV 1 OR { 247} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HB2 )) OR { 247} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HD2 )) ASSI { 248} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) 3.200 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.35102E-02 ppm1 8.006 ppm2 1.715 CV 1 OR { 248} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 249} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 6 and name HN )) 3.200 1.300 1.300 peak 249 spectrum 1 weight 0.10000E+01 volume 0.89522E-02 ppm1 1.810 ppm2 8.006 CV 1 OR { 249} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 6 and name HN )) OR { 249} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 4 and name HN )) OR { 249} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 16 and name HN )) OR { 249} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 16 and name HN )) ASSI { 250} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB3 )) 3.700 1.700 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.46331E-02 ppm1 8.006 ppm2 1.810 CV 1 OR { 250} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) OR { 250} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HB3 )) OR { 250} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HB2 )) OR { 250} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HD2 )) OR { 250} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HD3 )) ASSI { 252} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HB% ) 2.800 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.21634E-01 ppm1 7.981 ppm2 1.625 CV 1 OR { 252} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG2 )) OR { 252} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG3 )) ASSI { 253} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG3 )) 3.100 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.64393E-02 ppm1 7.943 ppm2 1.434 CV 1 OR { 253} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG3 )) OR { 253} (( segid " " and resid 12 and name HN )) ( segid " " and resid 10 and name HB% ) OR { 253} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG3 )) OR { 253} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) ASSI { 255} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HN )) 2.000 0.500 0.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.50258E-01 ppm1 1.582 ppm2 7.953 CV 1 OR { 255} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 23 and name HN )) OR { 255} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 23 and name HN )) ASSI { 256} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG2 )) 4.500 2.500 1.500 peak 256 spectrum 1 weight 0.10000E+01 volume 0.28977E-03 ppm1 7.953 ppm2 1.582 CV 1 OR { 256} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG3 )) ASSI { 257} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 2.800 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.71068E-02 ppm1 4.190 ppm2 2.148 CV 1 ASSI { 260} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 21 and name HA )) 3.100 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.16177E-01 ppm1 2.294 ppm2 4.207 CV 1 OR { 260} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 19 and name HA )) OR { 260} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 23 and name HA )) OR { 260} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 23 and name HA )) OR { 260} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 23 and name HA )) ASSI { 261} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 2.200 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.31254E-01 ppm1 4.072 ppm2 2.034 CV 1 OR { 261} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) OR { 261} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB3 )) ASSI { 262} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.15745E-01 ppm1 2.078 ppm2 4.149 CV 1 ASSI { 264} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HD3 )) 4.100 2.100 1.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.60859E-02 ppm1 4.078 ppm2 1.793 CV 1 OR { 264} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HD2 )) ASSI { 266} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HA )) 1.900 0.500 0.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.70282E-01 ppm1 1.623 ppm2 4.130 CV 1 OR { 266} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 11 and name HA )) OR { 266} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HA )) OR { 266} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HA )) ASSI { 267} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HB% ) 2.100 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.43976E-01 ppm1 4.130 ppm2 1.623 CV 1 OR { 267} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG3 )) OR { 267} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) OR { 267} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG2 )) OR { 267} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HG3 )) ASSI { 268} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HA )) 3.000 1.100 1.100 peak 268 spectrum 1 weight 0.10000E+01 volume 0.19043E-01 ppm1 1.515 ppm2 4.078 CV 1 ASSI { 271} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.18650E-01 ppm1 1.434 ppm2 4.072 CV 1 OR { 271} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 12 and name HA )) OR { 271} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 7 and name HA )) ASSI { 272} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HE2 )) 4.300 2.300 1.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.25600E-02 ppm1 2.084 ppm2 3.093 CV 1 OR { 272} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HE2 )) OR { 272} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HE3 )) OR { 272} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HE3 )) OR { 272} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HE3 )) ASSI { 274} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 15 and name HG3 )) 1.300 0.200 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.85988E+00 ppm1 3.067 ppm2 1.616 CV 1 OR { 274} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 15 and name HG3 )) OR { 274} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 15 and name HG2 )) OR { 274} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 15 and name HG2 )) OR { 274} (( segid " " and resid 11 and name HE3 )) (( segid " " and resid 11 and name HG2 )) OR { 274} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HG2 )) OR { 274} (( segid " " and resid 11 and name HE3 )) (( segid " " and resid 11 and name HG3 )) ASSI { 277} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HE3 )) 2.200 0.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.23951E-01 ppm1 1.836 ppm2 3.091 CV 1 OR { 277} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HE2 )) OR { 277} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HE2 )) OR { 277} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HE3 )) OR { 277} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HE2 )) ASSI { 278} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HE2 )) 2.000 0.500 0.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.42012E-01 ppm1 1.793 ppm2 3.067 CV 1 OR { 278} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HE3 )) OR { 278} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HE2 )) OR { 278} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HE3 )) OR { 278} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HE2 )) OR { 278} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HE3 )) OR { 278} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HE2 )) ASSI { 281} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HG3 )) 2.900 1.000 1.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.51436E-02 ppm1 2.084 ppm2 1.582 CV 1 OR { 281} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HG2 )) OR { 281} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HG3 )) OR { 281} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HG2 )) ASSI { 283} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HG3 )) 2.100 0.600 0.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.29723E-01 ppm1 2.078 ppm2 1.616 CV 1 OR { 283} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HG2 )) OR { 283} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HG3 )) OR { 283} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HG2 )) ASSI { 284} (( segid " " and resid 23 and name HE3 )) (( segid " " and resid 23 and name HD2 )) 2.100 0.600 0.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.29801E-01 ppm1 3.091 ppm2 1.836 CV 1 OR { 284} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HD2 )) OR { 284} (( segid " " and resid 19 and name HE2 )) (( segid " " and resid 19 and name HD3 )) OR { 284} (( segid " " and resid 19 and name HE3 )) (( segid " " and resid 19 and name HD3 )) OR { 284} (( segid " " and resid 19 and name HE2 )) (( segid " " and resid 19 and name HD2 )) ASSI { 286} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD2 )) 2.900 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.92270E-02 ppm1 2.148 ppm2 1.836 CV 1 OR { 286} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD3 )) ASSI { 288} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HD2 )) 1.800 0.400 0.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.88344E-01 ppm1 2.084 ppm2 1.829 CV 1 OR { 288} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 23 and name HD2 )) OR { 288} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HD2 )) OR { 288} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HD3 )) ASSI { 289} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 20 and name HB3 )) 3.100 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.97375E-02 ppm1 2.084 ppm2 2.294 CV 1 OR { 289} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 24 and name HB2 )) OR { 289} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 20 and name HB3 )) OR { 289} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 20 and name HB3 )) OR { 289} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 24 and name HB3 )) OR { 289} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 24 and name HB2 )) ASSI { 290} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 19 and name HB3 )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17198E-01 ppm1 2.294 ppm2 2.084 CV 1 OR { 290} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 23 and name HB2 )) OR { 290} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 23 and name HB3 )) ASSI { 292} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HE3 )) 1.700 0.300 0.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.20849E+00 ppm1 1.616 ppm2 3.067 CV 1 OR { 292} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HE2 )) OR { 292} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HE3 )) OR { 292} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HE2 )) OR { 292} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE3 )) OR { 292} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE2 )) OR { 292} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 11 and name HE3 )) ASSI { 293} (( segid " " and resid 15 and name HG3 )) (( segid " " and resid 15 and name HB3 )) 1.700 0.400 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.12015E+00 ppm1 1.616 ppm2 2.007 CV 1 OR { 293} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 15 and name HB3 )) ASSI { 296} (( segid " " and resid 12 and name HD3 )) (( segid " " and resid 12 and name HG2 )) 2.300 0.700 0.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.21045E-01 ppm1 1.921 ppm2 1.434 CV 1 OR { 296} (( segid " " and resid 12 and name HD3 )) (( segid " " and resid 12 and name HG3 )) OR { 296} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG2 )) OR { 296} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG3 )) ASSI { 298} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB2 )) 3.100 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.53792E-02 ppm1 1.515 ppm2 2.032 CV 1 ASSI { 300} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HD3 )) 2.600 0.900 0.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13664E-01 ppm1 1.938 ppm2 1.759 CV 1 OR { 300} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HD2 )) ASSI { 302} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HD2 )) 2.500 2.500 3.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.37144E-02 ppm1 8.717 ppm2 1.921 CV 1 OR { 302} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HD3 )) ASSI { 303} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 13 and name HN )) 3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.38714E-02 ppm1 1.921 ppm2 8.717 CV 1 ASSI { 304} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HN )) 2.200 0.600 0.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.30273E-01 ppm1 2.034 ppm2 7.943 CV 1 OR { 304} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HN )) OR { 304} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HN )) ASSI { 305} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 2.200 0.600 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.29055E-01 ppm1 2.034 ppm2 4.072 CV 1 OR { 305} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) OR { 305} (( segid " " and resid 12 and name HB3 )) (( segid " " and resid 12 and name HA )) ASSI { 307} (( segid " " and resid 5 and name HG )) (( segid " " and resid 6 and name HN )) 3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.49473E-02 ppm1 1.715 ppm2 8.006 CV 1 OR { 307} (( segid " " and resid 5 and name HG )) (( segid " " and resid 4 and name HN )) ASSI { 308} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HB2 )) 4.000 2.000 2.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.34552E-02 ppm1 3.093 ppm2 2.084 CV 1 OR { 308} (( segid " " and resid 23 and name HE3 )) (( segid " " and resid 23 and name HB2 )) OR { 308} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HB3 )) OR { 308} (( segid " " and resid 23 and name HE3 )) (( segid " " and resid 23 and name HB3 )) OR { 308} (( segid " " and resid 19 and name HE3 )) (( segid " " and resid 19 and name HB3 )) ASSI { 309} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HN )) 4.400 2.400 1.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.39657E-02 ppm1 1.626 ppm2 8.660 CV 1 OR { 309} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 17 and name HN )) OR { 309} (( segid " " and resid 15 and name HG2 )) (( segid " " and resid 17 and name HN )) ASSI { 310} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 4.400 2.400 1.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.29330E-02 ppm1 8.660 ppm2 1.626 CV 1 ASSI { 312} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 13 and name HN )) 4.800 2.900 1.200 peak 312 spectrum 1 weight 0.10000E+01 volume 0.16255E-02 ppm1 1.623 ppm2 8.717 CV 1 ASSI { 313} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 30 and name HN )) 4.000 2.000 2.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.27092E-02 ppm1 1.196 ppm2 8.204 CV 1 ASSI { 315} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.300 1.400 1.400 peak 315 spectrum 1 weight 0.10000E+01 volume 0.61252E-02 ppm1 1.964 ppm2 8.310 CV 1 ASSI { 318} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.12211E-01 ppm1 2.078 ppm2 8.024 CV 1 ASSI { 320} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.800 1.800 1.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.33257E-02 ppm1 8.201 ppm2 2.814 CV 1 ASSI { 321} (( segid " " and resid 32 and name HN )) (( segid " " and resid 29 and name HA )) 3.400 1.500 1.500 peak 321 spectrum 1 weight 0.10000E+01 volume 0.25600E-02 ppm1 8.146 ppm2 3.844 CV 1 OR { 321} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 323} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) 3.500 1.600 1.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.35769E-02 ppm1 7.696 ppm2 4.072 CV 1 OR { 323} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HA )) OR { 323} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 324} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HN )) 3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 4.072 ppm2 7.696 CV 1 OR { 324} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HN )) OR { 324} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 326} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 326 spectrum 1 weight 0.10000E+01 volume 0.55362E-02 ppm1 7.358 ppm2 4.430 CV 1 ASSI { 328} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HG2 )) 4.900 2.900 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.74994E-03 ppm1 4.218 ppm2 2.574 CV 1 OR { 328} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HG3 )) ASSI { 330} (( segid " " and resid 19 and name HD3 )) (( segid " " and resid 19 and name HA )) 4.300 2.300 1.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.30587E-02 ppm1 1.836 ppm2 4.189 CV 1 OR { 330} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HA )) ASSI { 332} (( segid " " and resid 26 and name HA )) ( segid " " and resid 29 and name HG1%) 5.000 3.100 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.41227E-03 ppm1 4.281 ppm2 1.196 CV 1 ASSI { 337} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HG3 )) 2.600 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.77743E-02 ppm1 2.148 ppm2 1.625 CV 1 OR { 337} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HG2 )) ASSI { 338} (( segid " " and resid 12 and name HE3 )) (( segid " " and resid 12 and name HG3 )) 2.900 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.85595E-02 ppm1 3.044 ppm2 1.434 CV 1 OR { 338} (( segid " " and resid 12 and name HE3 )) (( segid " " and resid 12 and name HG2 )) OR { 338} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HG3 )) OR { 338} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HG2 )) ASSI { 339} (( segid " " and resid 2 and name HB2 )) ( segid " " and resid 2 and name HD% ) 2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.17001E-01 ppm1 3.223 ppm2 7.295 CV 1 ASSI { 341} ( segid " " and resid 17 and name HG1%) ( segid " " and resid 18 and name HB% ) 4.700 2.800 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.17315E-02 ppm1 1.142 ppm2 1.626 CV 1 OR { 341} ( segid " " and resid 13 and name HG1%) ( segid " " and resid 14 and name HB% ) ASSI { 342} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 17 and name HG1%) 4.500 2.600 1.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.24344E-02 ppm1 1.626 ppm2 1.142 CV 1 OR { 342} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 13 and name HG1%) OR { 342} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 17 and name HG1%) ASSI { 344} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HB% ) 3.400 1.500 1.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.86381E-02 ppm1 7.916 ppm2 1.577 CV 1 OR { 344} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG3 )) OR { 344} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG2 )) ASSI { 345} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.22184E-01 ppm1 1.918 ppm2 4.103 CV 1 OR { 345} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 27 and name HA )) ASSI { 347} (( segid " " and resid 27 and name HE3 )) (( segid " " and resid 27 and name HD2 )) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.13310E-01 ppm1 3.059 ppm2 1.753 CV 1 OR { 347} (( segid " " and resid 27 and name HE3 )) (( segid " " and resid 27 and name HD3 )) OR { 347} (( segid " " and resid 27 and name HE2 )) (( segid " " and resid 27 and name HD2 )) OR { 347} (( segid " " and resid 27 and name HE2 )) (( segid " " and resid 27 and name HD3 )) OR { 347} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HD3 )) OR { 347} (( segid " " and resid 32 and name HE3 )) (( segid " " and resid 32 and name HD3 )) OR { 347} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 32 and name HD2 )) ASSI { 350} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HG2 )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.21634E-01 ppm1 2.285 ppm2 2.677 CV 1 ASSI { 351} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HB3 )) 2.900 1.100 1.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.13389E-01 ppm1 2.594 ppm2 2.190 CV 1 ASSI { 352} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 9 and name HN )) 3.800 1.800 1.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.21556E-02 ppm1 7.358 ppm2 8.529 CV 1 ASSI { 355} (( segid " " and resid 23 and name HA )) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.22969E-02 ppm1 4.218 ppm2 8.348 CV 1 ASSI { 356} (( segid " " and resid 9 and name HG )) (( segid " " and resid 10 and name HN )) 4.800 2.900 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.12682E-02 ppm1 1.961 ppm2 8.417 CV 1 ASSI { 357} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HG )) 6.000 4.800 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.38636E-03 ppm1 8.417 ppm2 1.961 CV 1 OR { 357} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HD3 )) ASSI { 358} (( segid " " and resid 25 and name HN )) ( segid " " and resid 26 and name HB% ) 4.200 2.200 1.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.23598E-02 ppm1 8.348 ppm2 1.583 CV 1 ASSI { 359} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.25600E-02 ppm1 1.583 ppm2 8.348 CV 1 OR { 359} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 25 and name HN )) ASSI { 360} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 9 and name HN )) 4.700 2.800 1.300 peak 360 spectrum 1 weight 0.10000E+01 volume 0.21949E-02 ppm1 1.434 ppm2 8.529 CV 1 OR { 360} (( segid " " and resid 7 and name HG3 )) (( segid " " and resid 9 and name HN )) ASSI { 361} (( segid " " and resid 9 and name HN )) ( segid " " and resid 10 and name HB% ) 4.700 2.800 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.16412E-02 ppm1 8.529 ppm2 1.434 CV 1 ASSI { 363} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 16 and name HN )) 4.500 2.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.49080E-02 ppm1 1.142 ppm2 8.024 CV 1 OR { 363} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 16 and name HN )) ASSI { 364} (( segid " " and resid 11 and name HG3 )) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.23872E-02 ppm1 1.623 ppm2 7.696 CV 1 OR { 364} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HN )) ASSI { 367} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD2 )) 4.600 2.600 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.36673E-02 ppm1 7.981 ppm2 1.836 CV 1 OR { 367} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD3 )) ASSI { 369} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG2 )) 3.500 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.79706E-02 ppm1 7.928 ppm2 2.677 CV 1 OR { 369} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG3 )) ASSI { 370} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG3 )) 4.200 2.200 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.26739E-02 ppm1 8.201 ppm2 2.682 CV 1 OR { 370} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HG2 )) ASSI { 372} (( segid " " and resid 27 and name HA )) (( segid " " and resid 31 and name HN )) 4.100 2.100 1.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.24147E-02 ppm1 4.103 ppm2 8.146 CV 1 OR { 372} (( segid " " and resid 27 and name HA )) (( segid " " and resid 32 and name HN )) ASSI { 373} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HA1 )) 4.200 2.200 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.56933E-03 ppm1 8.146 ppm2 4.103 CV 1 OR { 373} (( segid " " and resid 31 and name HN )) (( segid " " and resid 27 and name HA )) ASSI { 374} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.100 1.200 1.200 peak 374 spectrum 1 weight 0.10000E+01 volume 0.47509E-02 ppm1 8.146 ppm2 4.610 CV 1 OR { 374} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 376} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 8 and name HN )) 3.900 1.900 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28859E-02 ppm1 7.358 ppm2 7.926 CV 1 ASSI { 378} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HD% ) 4.500 2.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.12604E-02 ppm1 8.006 ppm2 7.293 CV 1 OR { 378} (( segid " " and resid 4 and name HN )) ( segid " " and resid 2 and name HD% ) ASSI { 380} (( segid " " and resid 5 and name HG )) ( segid " " and resid 8 and name HD% ) 4.300 2.300 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.38675E-02 ppm1 1.715 ppm2 7.358 CV 1 ASSI { 382} (( segid " " and resid 9 and name HG )) ( segid " " and resid 8 and name HD% ) 3.300 1.400 1.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.24422E-02 ppm1 1.961 ppm2 7.358 CV 1 ASSI { 383} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 9 and name HG )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 7.358 ppm2 1.961 CV 1 OR { 383} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 11 and name HD3 )) OR { 383} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 11 and name HD2 )) ASSI { 385} ( segid " " and resid 2 and name HD% ) (( segid " " and resid 2 and name HB3 )) 3.000 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.30155E-02 ppm1 7.295 ppm2 3.108 CV 1 ASSI { 386} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 9 and name HA )) 4.100 2.100 1.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.19122E-02 ppm1 7.358 ppm2 4.078 CV 1 OR { 386} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 7 and name HA )) ASSI { 388} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 5 and name HA )) 2.200 0.600 0.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 7.358 ppm2 4.331 CV 1 ASSI { 390} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HD2 )) 3.700 1.700 1.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.84417E-02 ppm1 4.172 ppm2 1.759 CV 1 OR { 390} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HD3 )) ASSI { 393} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 26 and name HA )) 3.100 1.200 1.200 peak 393 spectrum 1 weight 0.10000E+01 volume 0.15274E-01 ppm1 1.918 ppm2 4.285 CV 1 OR { 393} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 26 and name HA )) ASSI { 395} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HB3 )) 4.800 2.800 1.200 peak 395 spectrum 1 weight 0.10000E+01 volume 0.81669E-03 ppm1 4.258 ppm2 2.084 CV 1 OR { 395} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HB2 )) OR { 395} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HB3 )) OR { 395} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HB3 )) ASSI { 397} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.900 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.89914E-02 ppm1 2.285 ppm2 4.379 CV 1 ASSI { 400} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 19 and name HB3 )) 3.000 1.100 1.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.34631E-02 ppm1 2.589 ppm2 2.084 CV 1 OR { 400} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 19 and name HB3 )) OR { 400} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 23 and name HB2 )) ASSI { 401} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 20 and name HG2 )) 2.200 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.21477E-01 ppm1 2.084 ppm2 2.589 CV 1 OR { 401} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 20 and name HG3 )) ASSI { 402} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 13 and name HB )) 4.900 3.000 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.20378E-02 ppm1 1.437 ppm2 2.268 CV 1 OR { 402} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 13 and name HB )) OR { 402} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 13 and name HB )) ASSI { 403} (( segid " " and resid 13 and name HB )) ( segid " " and resid 10 and name HB% ) 4.400 2.400 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.21713E-02 ppm1 2.268 ppm2 1.437 CV 1 ASSI { 404} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HG3 )) 3.600 1.600 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.38243E-02 ppm1 2.190 ppm2 2.594 CV 1 ASSI { 405} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.500 1.500 1.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.30390E-02 ppm1 8.717 ppm2 4.069 CV 1 ASSI { 406} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.700 1.700 1.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.23244E-02 ppm1 4.069 ppm2 8.717 CV 1 OR { 406} (( segid " " and resid 9 and name HA )) (( segid " " and resid 13 and name HN )) ASSI { 408} (( segid " " and resid 23 and name HD3 )) (( segid " " and resid 23 and name HA )) 4.300 2.300 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.33806E-02 ppm1 1.771 ppm2 4.218 CV 1 ASSI { 412} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB3 )) 4.500 2.600 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 8.749 ppm2 2.298 CV 1 ASSI { 413} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HB% ) 2.400 2.400 3.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.45546E-02 ppm1 8.749 ppm2 1.631 CV 1 OR { 413} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HG2 )) OR { 413} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HG3 )) ASSI { 415} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HA )) 2.400 0.700 0.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.30547E-01 ppm1 2.087 ppm2 4.190 CV 1 ASSI { 417} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 16 and name HA )) 2.900 1.100 1.100 peak 417 spectrum 1 weight 0.10000E+01 volume 0.10052E-01 ppm1 2.087 ppm2 4.049 CV 1 OR { 417} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HA )) ASSI { 418} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB3 )) 3.100 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.43976E-02 ppm1 4.049 ppm2 2.087 CV 1 ASSI { 420} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB3 )) 2.600 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.82062E-02 ppm1 8.132 ppm2 2.087 CV 1 ASSI { 421} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HB3 )) 1.400 0.300 0.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.31529E-01 ppm1 1.923 ppm2 1.688 CV 1 ASSI { 422} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) 5.200 3.400 0.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.14920E-02 ppm1 8.660 ppm2 4.194 CV 1 OR { 422} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 423} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) 5.500 3.700 0.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.95411E-03 ppm1 4.194 ppm2 8.660 CV 1 ASSI { 424} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 9 and name HN )) 4.300 2.300 1.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.21242E-02 ppm1 2.032 ppm2 8.529 CV 1 ASSI { 425} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HB2 )) 3.800 1.800 1.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.20025E-02 ppm1 8.529 ppm2 2.032 CV 1 OR { 425} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HB3 )) ASSI { 426} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HB2 )) 4.800 2.900 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.87559E-03 ppm1 8.749 ppm2 2.087 CV 1 OR { 426} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HB3 )) ASSI { 427} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 21 and name HN )) 4.700 2.700 1.300 peak 427 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 2.087 ppm2 8.749 CV 1 OR { 427} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 21 and name HN )) OR { 427} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 21 and name HN )) ASSI { 429} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 13 and name HN )) 4.700 2.700 1.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.22106E-02 ppm1 1.434 ppm2 8.717 CV 1 OR { 429} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 13 and name HN )) OR { 429} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 13 and name HN )) ASSI { 430} (( segid " " and resid 32 and name HN )) ( segid " " and resid 29 and name HG1%) 3.300 1.300 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.73031E-03 ppm1 8.146 ppm2 1.196 CV 1 OR { 430} (( segid " " and resid 31 and name HN )) ( segid " " and resid 29 and name HG1%) ASSI { 432} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.30469E-02 ppm1 1.057 ppm2 8.310 CV 1 OR { 432} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 33 and name HN )) ASSI { 433} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HB% ) 4.400 2.500 1.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.19553E-02 ppm1 8.302 ppm2 1.437 CV 1 ASSI { 434} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 14 and name HN )) 6.000 4.700 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.43190E-03 ppm1 1.437 ppm2 8.302 CV 1 OR { 434} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 14 and name HN )) ASSI { 436} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HD2 )) 3.900 1.900 1.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.62430E-02 ppm1 8.132 ppm2 1.836 CV 1 OR { 436} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HD3 )) ASSI { 440} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 18 and name HN )) 5.400 3.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 2.078 ppm2 8.254 CV 1 OR { 440} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 18 and name HN )) ASSI { 441} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HD2 )) 5.000 3.100 1.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.16098E-02 ppm1 8.146 ppm2 1.759 CV 1 OR { 441} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HD3 )) OR { 441} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HD3 )) OR { 441} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HD2 )) ASSI { 442} (( segid " " and resid 32 and name HD2 )) (( segid " " and resid 32 and name HN )) 5.200 3.400 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.70675E-03 ppm1 1.759 ppm2 8.146 CV 1 OR { 442} (( segid " " and resid 32 and name HD3 )) (( segid " " and resid 32 and name HN )) ASSI { 443} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 30 and name HN )) 4.800 2.900 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.14135E-02 ppm1 2.951 ppm2 8.201 CV 1 ASSI { 446} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 30 and name HN )) 5.700 4.000 0.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.10601E-02 ppm1 2.878 ppm2 8.201 CV 1 ASSI { 448} (( segid " " and resid 31 and name HD22)) (( segid " " and resid 31 and name HN )) 2.900 2.900 3.100 peak 448 spectrum 1 weight 0.10000E+01 volume 0.14449E-02 ppm1 6.734 ppm2 8.146 CV 1 OR { 448} (( segid " " and resid 20 and name HE22)) (( segid " " and resid 20 and name HN )) OR { 448} (( segid " " and resid 31 and name HD22)) (( segid " " and resid 32 and name HN )) ASSI { 450} (( segid " " and resid 29 and name HN )) (( segid " " and resid 31 and name HN )) 3.400 1.400 1.400 peak 450 spectrum 1 weight 0.10000E+01 volume 0.67141E-02 ppm1 7.901 ppm2 8.146 CV 1 OR { 450} (( segid " " and resid 29 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 451} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HN )) 2.400 2.400 3.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.38125E-01 ppm1 4.218 ppm2 8.030 CV 1 ASSI { 452} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HA )) 2.300 2.300 3.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.14331E-01 ppm1 8.030 ppm2 4.218 CV 1 OR { 452} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 456} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HE3 )) 4.700 2.700 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.14763E-02 ppm1 7.960 ppm2 3.067 CV 1 OR { 456} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HE2 )) ASSI { 457} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) 2.300 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.32550E-01 ppm1 2.294 ppm2 8.173 CV 1 OR { 457} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 24 and name HN )) ASSI { 460} (( segid " " and resid 4 and name HN )) ( segid " " and resid 5 and name HD2%) 6.000 5.000 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.16726E-03 ppm1 8.006 ppm2 0.970 CV 1 ASSI { 461} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 6 and name HN )) 3.800 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.31333E-03 ppm1 0.970 ppm2 8.006 CV 1 OR { 461} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HN )) ASSI { 463} ( segid " " and resid 28 and name HD% ) (( segid " " and resid 27 and name HA )) 4.500 2.600 1.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.19868E-02 ppm1 7.251 ppm2 4.103 CV 1 ASSI { 465} ( segid " " and resid 2 and name HD% ) (( segid " " and resid 3 and name HA2 )) 4.900 3.000 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.14174E-02 ppm1 7.295 ppm2 3.950 CV 1 OR { 465} ( segid " " and resid 6 and name HD% ) (( segid " " and resid 3 and name HA2 )) ASSI { 467} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 8 and name HB2 )) 4.900 3.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.16766E-02 ppm1 7.400 ppm2 3.429 CV 1 ASSI { 468} ( segid " " and resid 8 and name HE% ) (( segid " " and resid 8 and name HB3 )) 5.200 3.400 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 7.400 ppm2 3.354 CV 1 ASSI { 471} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 20 and name HE21)) 4.300 2.300 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.12093E-02 ppm1 2.298 ppm2 7.246 CV 1 ASSI { 473} (( segid " " and resid 24 and name HE21)) (( segid " " and resid 24 and name HB2 )) 4.200 2.200 1.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.16334E-02 ppm1 7.312 ppm2 2.285 CV 1 OR { 473} (( segid " " and resid 24 and name HE21)) (( segid " " and resid 24 and name HB3 )) OR { 473} (( segid " " and resid 35 and name H1 )) (( segid " " and resid 35 and name HB2 )) ASSI { 474} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 8 and name HD% ) 3.500 1.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.18218E-02 ppm1 2.032 ppm2 7.358 CV 1 OR { 474} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 8 and name HD% ) OR { 474} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 8 and name HD% ) ASSI { 475} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 12 and name HB2 )) 3.100 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.35455E-02 ppm1 7.358 ppm2 2.032 CV 1 OR { 475} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 12 and name HB3 )) ASSI { 476} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 8 and name HD% ) 3.300 1.400 1.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.18218E-02 ppm1 1.810 ppm2 7.358 CV 1 OR { 476} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 8 and name HD% ) ASSI { 478} (( segid " " and resid 5 and name HG )) ( segid " " and resid 8 and name HE% ) 4.600 2.600 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.32628E-02 ppm1 1.715 ppm2 7.400 CV 1 ASSI { 481} ( segid " " and resid 8 and name HD% ) ( segid " " and resid 4 and name HB% ) 3.300 1.400 1.400 peak 481 spectrum 1 weight 0.10000E+01 volume 0.67141E-03 ppm1 7.358 ppm2 1.559 CV 1 ASSI { 483} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 8 and name HD% ) 3.100 1.200 1.200 peak 483 spectrum 1 weight 0.10000E+01 volume 0.96589E-03 ppm1 0.970 ppm2 7.358 CV 1 ASSI { 484} ( segid " " and resid 8 and name HE% ) ( segid " " and resid 9 and name HD2%) 5.000 3.100 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.53399E-03 ppm1 7.400 ppm2 1.006 CV 1 OR { 484} ( segid " " and resid 8 and name HE% ) ( segid " " and resid 9 and name HD1%) ASSI { 485} ( segid " " and resid 9 and name HD2%) ( segid " " and resid 8 and name HE% ) 3.100 1.200 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.37104E-02 ppm1 1.006 ppm2 7.400 CV 1 ASSI { 486} (( segid " " and resid 32 and name HD2 )) ( segid " " and resid 28 and name HE% ) 3.500 1.600 1.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.25011E-02 ppm1 1.753 ppm2 6.921 CV 1 OR { 486} (( segid " " and resid 32 and name HD3 )) ( segid " " and resid 28 and name HE% ) ASSI { 488} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 8 and name HA )) 3.200 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.40049E-02 ppm1 1.962 ppm2 4.430 CV 1 OR { 488} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 8 and name HA )) ASSI { 491} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HA )) 3.400 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.31411E-02 ppm1 2.190 ppm2 4.379 CV 1 ASSI { 492} (( segid " " and resid 34 and name HG3 )) (( segid " " and resid 34 and name HA )) 3.600 1.600 1.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.30783E-02 ppm1 2.682 ppm2 4.461 CV 1 ASSI { 495} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 28 and name HA )) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.20771E-02 ppm1 2.951 ppm2 4.457 CV 1 ASSI { 499} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HA )) 4.600 2.600 1.400 peak 499 spectrum 1 weight 0.10000E+01 volume 0.19122E-02 ppm1 4.281 ppm2 4.103 CV 1 OR { 499} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HA1 )) OR { 499} (( segid " " and resid 26 and name HA )) (( segid " " and resid 25 and name HA1 )) ASSI { 500} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HA )) 4.400 2.400 1.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.11269E-02 ppm1 4.194 ppm2 3.738 CV 1 OR { 500} (( segid " " and resid 21 and name HA )) (( segid " " and resid 17 and name HA )) ASSI { 502} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HA )) 3.900 1.900 1.900 peak 502 spectrum 1 weight 0.10000E+01 volume 0.33100E-02 ppm1 4.069 ppm2 3.674 CV 1 OR { 502} (( segid " " and resid 9 and name HA )) (( segid " " and resid 13 and name HA )) ASSI { 504} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HB2 )) 5.100 3.200 0.900 peak 504 spectrum 1 weight 0.10000E+01 volume 0.12643E-02 ppm1 4.078 ppm2 3.429 CV 1 OR { 504} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HB2 )) ASSI { 507} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 27 and name HA )) 4.300 2.300 1.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.32746E-02 ppm1 3.351 ppm2 4.096 CV 1 OR { 507} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 7 and name HA )) ASSI { 508} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HB3 )) 4.600 2.600 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.13742E-02 ppm1 4.096 ppm2 3.193 CV 1 OR { 508} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HB3 )) ASSI { 510} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 3 and name HA1 )) 4.500 2.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.23637E-02 ppm1 3.188 ppm2 4.034 CV 1 ASSI { 513} (( segid " " and resid 10 and name HA )) ( segid " " and resid 14 and name HB% ) 4.100 2.100 1.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.14174E-02 ppm1 4.007 ppm2 1.623 CV 1 ASSI { 514} (( segid " " and resid 17 and name HA )) ( segid " " and resid 18 and name HB% ) 5.900 4.400 0.100 peak 514 spectrum 1 weight 0.10000E+01 volume 0.74209E-03 ppm1 3.738 ppm2 1.631 CV 1 ASSI { 515} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 17 and name HA )) 5.500 3.800 0.500 peak 515 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 1.631 ppm2 3.738 CV 1 OR { 515} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 17 and name HA )) OR { 515} (( segid " " and resid 19 and name HG3 )) (( segid " " and resid 17 and name HA )) ASSI { 516} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HA )) 3.600 1.600 1.600 peak 516 spectrum 1 weight 0.10000E+01 volume 0.58503E-02 ppm1 1.921 ppm2 4.007 CV 1 ASSI { 517} (( segid " " and resid 10 and name HA )) (( segid " " and resid 9 and name HB2 )) 4.600 2.700 1.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.16962E-02 ppm1 4.007 ppm2 1.921 CV 1 OR { 517} (( segid " " and resid 25 and name HA2 )) (( segid " " and resid 27 and name HB2 )) ASSI { 518} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 8 and name HB3 )) 3.800 1.800 1.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.28074E-02 ppm1 1.941 ppm2 3.354 CV 1 ASSI { 521} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HB3 )) 3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.35927E-02 ppm1 2.677 ppm2 2.190 CV 1 ASSI { 524} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB )) 3.100 1.200 1.200 peak 524 spectrum 1 weight 0.10000E+01 volume 0.23087E-02 ppm1 8.024 ppm2 4.607 CV 1 ASSI { 525} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB )) 4.600 2.700 1.400 peak 525 spectrum 1 weight 0.10000E+01 volume 0.17590E-02 ppm1 8.201 ppm2 4.610 CV 1 OR { 525} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 526} (( segid " " and resid 31 and name HD21)) (( segid " " and resid 31 and name HN )) 4.600 2.600 1.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 7.543 ppm2 8.146 CV 1 ASSI { 527} ( segid " " and resid 6 and name HD% ) (( segid " " and resid 3 and name HA1 )) 3.600 1.600 1.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.24618E-02 ppm1 7.293 ppm2 4.034 CV 1 OR { 527} ( segid " " and resid 2 and name HD% ) (( segid " " and resid 3 and name HA1 )) ASSI { 529} ( segid " " and resid 2 and name HD% ) (( segid " " and resid 2 and name HA )) 3.200 1.300 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 7.295 ppm2 4.640 CV 1 ASSI { 530} (( segid " " and resid 20 and name HE21)) (( segid " " and resid 20 and name HN )) 4.500 2.500 1.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.17708E-02 ppm1 7.251 ppm2 8.146 CV 1 OR { 530} ( segid " " and resid 28 and name HD% ) (( segid " " and resid 31 and name HN )) OR { 530} ( segid " " and resid 28 and name HD% ) (( segid " " and resid 32 and name HN )) ASSI { 531} ( segid " " and resid 2 and name HD% ) (( segid " " and resid 2 and name HN )) 5.200 3.400 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.10209E-02 ppm1 7.295 ppm2 8.625 CV 1 ASSI { 532} (( segid " " and resid 26 and name HA )) (( segid " " and resid 28 and name HN )) 4.700 2.800 1.300 peak 532 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 4.285 ppm2 7.858 CV 1 ASSI { 533} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HA )) 4.600 2.600 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.78528E-03 ppm1 4.072 ppm2 4.430 CV 1 OR { 533} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HA )) ASSI { 534} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HA )) 4.800 2.800 1.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.13036E-02 ppm1 3.275 ppm2 4.072 CV 1 ASSI { 535} (( segid " " and resid 12 and name HE3 )) (( segid " " and resid 12 and name HA )) 4.400 2.400 1.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.26778E-02 ppm1 3.044 ppm2 4.069 CV 1 OR { 535} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HA )) ASSI { 536} (( segid " " and resid 7 and name HE3 )) (( segid " " and resid 7 and name HA )) 4.700 2.800 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.83632E-04 ppm1 3.067 ppm2 4.078 CV 1 OR { 536} (( segid " " and resid 7 and name HE2 )) (( segid " " and resid 7 and name HA )) OR { 536} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 12 and name HA )) OR { 536} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 12 and name HA )) OR { 536} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 12 and name HA )) OR { 536} (( segid " " and resid 11 and name HE3 )) (( segid " " and resid 7 and name HA )) OR { 536} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 7 and name HA )) OR { 536} (( segid " " and resid 11 and name HE3 )) (( segid " " and resid 12 and name HA )) ASSI { 537} (( segid " " and resid 19 and name HE3 )) (( segid " " and resid 19 and name HA )) 5.800 4.200 0.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.64786E-03 ppm1 3.091 ppm2 4.190 CV 1 OR { 537} (( segid " " and resid 19 and name HE2 )) (( segid " " and resid 19 and name HA )) ASSI { 538} (( segid " " and resid 23 and name HE2 )) (( segid " " and resid 23 and name HA )) 3.000 3.000 3.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.12093E-02 ppm1 3.093 ppm2 4.218 CV 1 OR { 538} (( segid " " and resid 23 and name HE3 )) (( segid " " and resid 23 and name HA )) ASSI { 541} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 15 and name HN )) 2.900 2.900 3.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 3.067 ppm2 8.191 CV 1 OR { 541} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 15 and name HN )) OR { 541} (( segid " " and resid 27 and name HE2 )) (( segid " " and resid 30 and name HN )) OR { 541} (( segid " " and resid 27 and name HE3 )) (( segid " " and resid 30 and name HN )) OR { 541} (( segid " " and resid 32 and name HE3 )) (( segid " " and resid 34 and name HN )) OR { 541} (( segid " " and resid 32 and name HE2 )) (( segid " " and resid 34 and name HN )) ASSI { 542} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 28 and name HA )) 4.200 2.200 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.16805E-02 ppm1 2.878 ppm2 4.457 CV 1 ASSI { 543} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HA )) 3.700 1.700 1.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 2.677 ppm2 4.379 CV 1 ASSI { 545} (( segid " " and resid 9 and name HG )) ( segid " " and resid 5 and name HD1%) 3.200 1.300 1.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.33885E-02 ppm1 1.961 ppm2 1.054 CV 1 ASSI { 546} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 30 and name HG1%) 3.800 1.800 1.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.40049E-02 ppm1 1.923 ppm2 1.128 CV 1 OR { 546} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 30 and name HG1%) OR { 546} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 13 and name HG1%) ASSI { 547} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 16 and name HG2%) 4.600 2.700 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 2.087 ppm2 1.374 CV 1 OR { 547} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HG1 )) OR { 547} (( segid " " and resid 19 and name HB3 )) ( segid " " and resid 16 and name HG2%) ASSI { 548} (( segid " " and resid 17 and name HB )) ( segid " " and resid 16 and name HG2%) 5.000 3.100 1.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 2.268 ppm2 1.374 CV 1 ASSI { 549} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 6 and name HB3 )) 4.100 2.100 1.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.15706E-02 ppm1 1.923 ppm2 3.188 CV 1 OR { 549} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HB3 )) OR { 549} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HB3 )) ASSI { 550} (( segid " " and resid 11 and name HD3 )) (( segid " " and resid 8 and name HB2 )) 3.600 1.600 1.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.23048E-02 ppm1 1.961 ppm2 3.429 CV 1 OR { 550} (( segid " " and resid 9 and name HG )) (( segid " " and resid 8 and name HB2 )) ASSI { 551} (( segid " " and resid 7 and name HB3 )) (( segid " " and resid 8 and name HB3 )) 4.800 2.900 1.200 peak 551 spectrum 1 weight 0.10000E+01 volume 0.89129E-03 ppm1 1.923 ppm2 3.354 CV 1 OR { 551} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HB2 )) OR { 551} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HB2 )) ASSI { 552} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 17 and name HN )) 5.100 3.200 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 2.078 ppm2 8.660 CV 1 OR { 552} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 17 and name HN )) ASSI { 554} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 15 and name HN )) 4.100 2.100 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.35455E-02 ppm1 1.434 ppm2 8.191 CV 1 OR { 554} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 15 and name HN )) OR { 554} (( segid " " and resid 12 and name HG3 )) (( segid " " and resid 15 and name HN )) ASSI { 555} (( segid " " and resid 27 and name HD3 )) (( segid " " and resid 28 and name HN )) 2.500 2.500 3.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.40049E-02 ppm1 1.753 ppm2 7.858 CV 1 OR { 555} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 28 and name HN )) ASSI { 556} ( segid " " and resid 26 and name HB% ) (( segid " " and resid 28 and name HN )) 4.600 2.600 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.12722E-02 ppm1 1.577 ppm2 7.858 CV 1 OR { 556} (( segid " " and resid 27 and name HG3 )) (( segid " " and resid 28 and name HN )) OR { 556} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 28 and name HN )) ASSI { 557} ( segid " " and resid 4 and name HB% ) ( segid " " and resid 8 and name HE% ) 5.200 3.400 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.10994E-02 ppm1 1.559 ppm2 7.400 CV 1 ASSI { 558} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 8 and name HE% ) 4.200 2.200 1.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.97375E-03 ppm1 1.810 ppm2 7.400 CV 1 OR { 558} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 8 and name HE% ) ASSI { 559} (( segid " " and resid 32 and name HD2 )) ( segid " " and resid 28 and name HD% ) 3.500 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.14056E-02 ppm1 1.759 ppm2 7.251 CV 1 OR { 559} (( segid " " and resid 32 and name HD3 )) ( segid " " and resid 28 and name HD% ) ASSI { 560} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 13 and name HA )) 5.600 4.000 0.400 peak 560 spectrum 1 weight 0.10000E+01 volume 0.71853E-03 ppm1 1.626 ppm2 3.674 CV 1 ASSI { 561} ( segid " " and resid 10 and name HB% ) ( segid " " and resid 13 and name HG2%) 4.700 2.700 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 1.434 ppm2 1.006 CV 1 OR { 561} ( segid " " and resid 10 and name HB% ) ( segid " " and resid 9 and name HD2%) OR { 561} (( segid " " and resid 12 and name HG2 )) ( segid " " and resid 13 and name HG2%) OR { 561} (( segid " " and resid 12 and name HG3 )) ( segid " " and resid 13 and name HG2%) ASSI { 562} ( segid " " and resid 17 and name HG2%) ( segid " " and resid 18 and name HB% ) 5.400 3.700 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.10209E-02 ppm1 1.038 ppm2 1.626 CV 1 ASSI { 563} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HG )) 5.600 3.900 0.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.21163E-03 ppm1 1.054 ppm2 1.961 CV 1 OR { 563} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 32 and name HB2 )) ASSI { 564} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 18 and name HA )) 4.500 2.500 1.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.81276E-03 ppm1 1.142 ppm2 4.194 CV 1 OR { 564} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 21 and name HA )) ASSI { 566} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 31 and name HA )) 4.700 2.700 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 1.142 ppm2 4.607 CV 1 OR { 566} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 16 and name HB )) ASSI { 567} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 33 and name HE22)) 4.900 3.000 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.93056E-03 ppm1 1.063 ppm2 6.621 CV 1 OR { 567} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 33 and name HE22)) ASSI { 568} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 8 and name HE% ) 4.900 3.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.14135E-02 ppm1 1.054 ppm2 7.400 CV 1 ASSI { 569} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 2 and name HD% ) 4.000 2.000 2.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.44761E-02 ppm1 1.054 ppm2 7.295 CV 1 OR { 569} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 6 and name HD% ) ASSI { 570} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 33 and name HE21)) 4.800 2.800 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 1.063 ppm2 7.183 CV 1 OR { 570} ( segid " " and resid 29 and name HG2%) (( segid " " and resid 33 and name HE21)) ASSI { 571} ( segid " " and resid 2 and name HD% ) ( segid " " and resid 8 and name HE% ) 2.400 2.400 3.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.22184E-01 ppm1 7.295 ppm2 7.400 CV 1 ASSI { 573} ( segid " " and resid 2 and name HD% ) ( segid " " and resid 8 and name HD% ) 2.200 2.200 3.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.57325E-01 ppm1 7.295 ppm2 7.358 CV 1 ASSI { 575} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 9 and name HB2 )) 5.500 3.800 0.500 peak 575 spectrum 1 weight 0.10000E+01 volume 0.47117E-03 ppm1 3.354 ppm2 1.923 CV 1 OR { 575} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 27 and name HB3 )) OR { 575} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 32 and name HB3 )) ASSI { 576} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) 4.200 2.200 1.800 peak 576 spectrum 1 weight 0.10000E+01 volume 0.18258E-02 ppm1 7.858 ppm2 4.285 CV 1 ASSI { 577} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) 5.000 3.200 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.47117E-03 ppm1 7.858 ppm2 1.577 CV 1 OR { 577} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG3 )) ASSI { 578} (( segid " " and resid 1 and name HA1 )) (( segid " " and resid 1 and name HA2 )) 1.800 0.400 0.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.20339E-01 ppm1 3.975 ppm2 3.849 CV 1 ASSI { 580} (( segid " " and resid 1 and name HA1 )) (( segid " " and resid 2 and name HN )) 3.200 1.300 1.300 peak 580 spectrum 1 weight 0.10000E+01 volume 0.52221E-02 ppm1 3.975 ppm2 8.625 CV 1 ASSI { 582} (( segid " " and resid 1 and name HA2 )) (( segid " " and resid 2 and name HN )) 3.100 1.200 1.200 peak 582 spectrum 1 weight 0.10000E+01 volume 0.37065E-02 ppm1 3.849 ppm2 8.625 CV 1 ASSI { 585} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 2 and name HB2 )) 1.700 0.300 0.500 peak 585 spectrum 1 weight 0.10000E+01 volume 0.23284E-01 ppm1 3.108 ppm2 3.223 CV 1 ASSI { 586} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HN )) 3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 3.223 ppm2 8.625 CV 1 ASSI { 588} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 3 and name HN )) 4.800 2.900 1.200 peak 588 spectrum 1 weight 0.10000E+01 volume 0.18493E-02 ppm1 3.223 ppm2 8.565 CV 1 ASSI { 590} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 2 and name HA )) 3.900 1.900 1.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.11504E-02 ppm1 3.108 ppm2 4.640 CV 1 ASSI { 591} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 2 and name HN )) 3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.54970E-02 ppm1 3.108 ppm2 8.625 CV 1 ASSI { 594} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HB3 )) 4.500 2.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.15077E-02 ppm1 8.565 ppm2 3.108 CV 1 ASSI { 595} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 3.700 1.700 1.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 8.625 ppm2 4.640 CV 1 ASSI { 597} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HN )) 3.200 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.65178E-02 ppm1 8.565 ppm2 8.625 CV 1 ASSI { 598} (( segid " " and resid 3 and name HA1 )) (( segid " " and resid 3 and name HA2 )) 1.700 0.300 0.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.36830E-01 ppm1 4.034 ppm2 3.950 CV 1 ASSI { 601} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA1 )) 3.100 1.200 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.79313E-02 ppm1 8.565 ppm2 4.034 CV 1 ASSI { 603} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA2 )) 2.600 0.800 0.800 peak 603 spectrum 1 weight 0.10000E+01 volume 0.82454E-02 ppm1 8.565 ppm2 3.950 CV 1 ASSI { 604} (( segid " " and resid 3 and name HA2 )) (( segid " " and resid 6 and name HB2 )) 4.500 2.500 1.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.18061E-02 ppm1 3.950 ppm2 3.275 CV 1 ASSI { 606} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 3.100 1.200 1.200 peak 606 spectrum 1 weight 0.10000E+01 volume 0.18533E-02 ppm1 8.565 ppm2 4.640 CV 1 ASSI { 608} ( segid " " and resid 4 and name HB% ) (( segid " " and resid 3 and name HN )) 5.000 3.100 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.16020E-02 ppm1 1.559 ppm2 8.565 CV 1 ASSI { 609} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 3.000 1.100 1.100 peak 609 spectrum 1 weight 0.10000E+01 volume 0.35338E-02 ppm1 8.565 ppm2 8.000 CV 1 ASSI { 612} ( segid " " and resid 4 and name HB% ) (( segid " " and resid 4 and name HA )) 2.000 0.500 0.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.40835E-01 ppm1 1.559 ppm2 4.248 CV 1 ASSI { 613} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HB3 )) 4.000 2.000 2.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.45939E-02 ppm1 4.248 ppm2 1.810 CV 1 OR { 613} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HB2 )) ASSI { 616} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HA )) 3.300 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.27053E-02 ppm1 7.678 ppm2 4.248 CV 1 ASSI { 618} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 4 and name HA )) 6.000 5.000 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.68319E-03 ppm1 2.032 ppm2 4.248 CV 1 ASSI { 619} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HB3 )) 4.100 2.100 1.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.45154E-02 ppm1 4.248 ppm2 1.941 CV 1 ASSI { 621} ( segid " " and resid 4 and name HB% ) ( segid " " and resid 5 and name HD2%) 5.500 3.800 0.500 peak 621 spectrum 1 weight 0.10000E+01 volume 0.94233E-03 ppm1 1.559 ppm2 0.970 CV 1 ASSI { 622} ( segid " " and resid 4 and name HB% ) (( segid " " and resid 5 and name HN )) 3.400 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.65178E-02 ppm1 1.559 ppm2 7.678 CV 1 ASSI { 624} ( segid " " and resid 4 and name HB% ) (( segid " " and resid 7 and name HE2 )) 1.700 0.400 0.500 peak 624 spectrum 1 weight 0.10000E+01 volume 0.14488E+00 ppm1 1.559 ppm2 3.067 CV 1 OR { 624} ( segid " " and resid 4 and name HB% ) (( segid " " and resid 7 and name HE3 )) ASSI { 626} ( segid " " and resid 4 and name HB% ) (( segid " " and resid 8 and name HA )) 5.200 3.400 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.12564E-02 ppm1 1.559 ppm2 4.430 CV 1 ASSI { 628} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 2.400 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.37183E-02 ppm1 1.810 ppm2 4.331 CV 1 OR { 628} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HA )) ASSI { 630} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HA )) 3.500 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.56147E-02 ppm1 1.054 ppm2 4.331 CV 1 ASSI { 632} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HA )) 4.100 2.100 1.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.28152E-02 ppm1 0.970 ppm2 4.331 CV 1 ASSI { 633} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG )) 2.800 1.000 1.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.67141E-02 ppm1 4.331 ppm2 1.715 CV 1 ASSI { 636} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.300 0.700 0.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.73424E-02 ppm1 7.678 ppm2 4.331 CV 1 ASSI { 638} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 5 and name HA )) 4.000 2.000 2.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.42798E-02 ppm1 3.429 ppm2 4.331 CV 1 ASSI { 639} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HB3 )) 2.400 0.700 0.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.31529E-02 ppm1 4.331 ppm2 3.354 CV 1 ASSI { 641} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HN )) 2.400 0.700 0.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.55362E-02 ppm1 4.331 ppm2 7.926 CV 1 ASSI { 643} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 2 and name HA )) 3.500 3.500 2.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.50258E-03 ppm1 1.808 ppm2 4.640 CV 1 OR { 643} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 2 and name HA )) ASSI { 644} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 5 and name HD1%) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.26111E-02 ppm1 1.810 ppm2 1.054 CV 1 OR { 644} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 5 and name HD1%) ASSI { 646} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB3 )) 2.600 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.73816E-02 ppm1 0.970 ppm2 1.810 CV 1 OR { 646} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB2 )) ASSI { 647} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 5 and name HN )) 2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.10758E-01 ppm1 1.810 ppm2 7.678 CV 1 OR { 647} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HN )) ASSI { 649} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 6 and name HD% ) 4.700 2.700 1.300 peak 649 spectrum 1 weight 0.10000E+01 volume 0.17237E-02 ppm1 1.810 ppm2 7.293 CV 1 OR { 649} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 6 and name HD% ) ASSI { 651} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 8 and name HA )) 6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 1.810 ppm2 4.430 CV 1 OR { 651} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 8 and name HA )) ASSI { 652} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 9 and name HD1%) 3.700 1.700 1.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 1.810 ppm2 1.006 CV 1 OR { 652} (( segid " " and resid 5 and name HB3 )) ( segid " " and resid 9 and name HD1%) OR { 652} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 9 and name HD2%) ASSI { 653} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 9 and name HN )) 3.900 1.900 1.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.20103E-02 ppm1 1.810 ppm2 8.529 CV 1 OR { 653} (( segid " " and resid 5 and name HB3 )) (( segid " " and resid 9 and name HN )) ASSI { 655} (( segid " " and resid 5 and name HG )) ( segid " " and resid 5 and name HD1%) 2.400 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.97767E-02 ppm1 1.715 ppm2 1.054 CV 1 ASSI { 656} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HN )) 4.700 2.700 1.300 peak 656 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 1.054 ppm2 7.678 CV 1 ASSI { 658} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HG )) 2.200 0.600 0.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.18533E-01 ppm1 0.970 ppm2 1.715 CV 1 ASSI { 660} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HN )) 4.200 2.200 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.17315E-02 ppm1 0.970 ppm2 7.678 CV 1 ASSI { 662} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HN )) 2.000 0.500 0.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.13860E-01 ppm1 1.715 ppm2 7.678 CV 1 ASSI { 665} ( segid " " and resid 6 and name HD% ) (( segid " " and resid 5 and name HG )) 3.300 1.300 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.73816E-03 ppm1 7.293 ppm2 1.715 CV 1 ASSI { 666} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HN )) 4.600 2.700 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 7.678 ppm2 8.565 CV 1 ASSI { 667} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB2 )) 4.700 2.800 1.300 peak 667 spectrum 1 weight 0.10000E+01 volume 0.14253E-02 ppm1 7.678 ppm2 3.275 CV 1 ASSI { 669} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB3 )) 5.500 3.800 0.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.19553E-02 ppm1 7.678 ppm2 3.188 CV 1 ASSI { 671} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HB2 )) 3.100 1.200 1.200 peak 671 spectrum 1 weight 0.10000E+01 volume 0.52221E-02 ppm1 4.349 ppm2 3.275 CV 1 ASSI { 674} (( segid " " and resid 6 and name HB3 )) (( segid " " and resid 6 and name HA )) 2.900 1.000 1.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.64393E-02 ppm1 3.188 ppm2 4.349 CV 1 ASSI { 676} ( segid " " and resid 6 and name HD% ) (( segid " " and resid 6 and name HA )) 3.000 1.200 1.200 peak 676 spectrum 1 weight 0.10000E+01 volume 0.38322E-02 ppm1 7.293 ppm2 4.349 CV 1 ASSI { 677} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 2.600 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.75779E-02 ppm1 4.349 ppm2 7.960 CV 1 ASSI { 679} (( segid " " and resid 6 and name HA )) (( segid " " and resid 9 and name HB2 )) 3.000 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.28466E-02 ppm1 4.349 ppm2 1.923 CV 1 ASSI { 681} (( segid " " and resid 6 and name HA )) ( segid " " and resid 9 and name HD1%) 4.500 2.600 1.500 peak 681 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 4.349 ppm2 1.006 CV 1 OR { 681} (( segid " " and resid 6 and name HA )) ( segid " " and resid 9 and name HD2%) ASSI { 684} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HA )) 3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.41227E-02 ppm1 8.529 ppm2 4.349 CV 1 ASSI { 686} (( segid " " and resid 10 and name HN )) (( segid " " and resid 6 and name HA )) 3.800 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.15745E-02 ppm1 8.417 ppm2 4.349 CV 1 ASSI { 687} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HB3 )) 1.700 0.400 0.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.18533E-01 ppm1 3.275 ppm2 3.188 CV 1 ASSI { 689} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 6 and name HD% ) 3.000 1.200 1.200 peak 689 spectrum 1 weight 0.10000E+01 volume 0.27210E-02 ppm1 3.275 ppm2 7.293 CV 1 ASSI { 691} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HN )) 3.200 1.300 1.300 peak 691 spectrum 1 weight 0.10000E+01 volume 0.39264E-02 ppm1 3.275 ppm2 7.960 CV 1 ASSI { 693} (( segid " " and resid 6 and name HB3 )) ( segid " " and resid 6 and name HD% ) 3.200 1.300 1.300 peak 693 spectrum 1 weight 0.10000E+01 volume 0.49865E-02 ppm1 3.188 ppm2 7.293 CV 1 ASSI { 695} ( segid " " and resid 6 and name HD% ) (( segid " " and resid 3 and name HN )) 2.800 2.800 3.200 peak 695 spectrum 1 weight 0.10000E+01 volume 0.18847E-02 ppm1 7.293 ppm2 8.565 CV 1 ASSI { 696} ( segid " " and resid 6 and name HD% ) (( segid " " and resid 9 and name HB2 )) 2.400 2.400 3.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.51436E-02 ppm1 7.293 ppm2 1.923 CV 1 ASSI { 698} ( segid " " and resid 6 and name HD% ) (( segid " " and resid 9 and name HB3 )) 2.700 2.700 3.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.21320E-02 ppm1 7.293 ppm2 1.688 CV 1 ASSI { 700} ( segid " " and resid 6 and name HD% ) ( segid " " and resid 9 and name HD1%) 3.200 3.200 2.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.87166E-03 ppm1 7.293 ppm2 1.006 CV 1 OR { 700} ( segid " " and resid 6 and name HD% ) ( segid " " and resid 9 and name HD2%) ASSI { 702} ( segid " " and resid 6 and name HD% ) ( segid " " and resid 10 and name HB% ) 3.000 3.000 3.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 7.293 ppm2 1.437 CV 1 ASSI { 705} (( segid " " and resid 6 and name HN )) ( segid " " and resid 9 and name HD1%) 5.100 3.300 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 8.006 ppm2 1.006 CV 1 OR { 705} (( segid " " and resid 6 and name HN )) ( segid " " and resid 9 and name HD2%) ASSI { 707} (( segid " " and resid 7 and name HD3 )) (( segid " " and resid 7 and name HN )) 3.100 1.200 1.200 peak 707 spectrum 1 weight 0.10000E+01 volume 0.18218E-01 ppm1 1.793 ppm2 7.960 CV 1 OR { 707} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HN )) ASSI { 710} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG2 )) 2.700 0.900 0.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.15352E-02 ppm1 7.960 ppm2 1.515 CV 1 ASSI { 711} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HN )) 4.100 2.100 1.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13860E-02 ppm1 7.960 ppm2 8.529 CV 1 ASSI { 714} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.48687E-02 ppm1 3.429 ppm2 4.430 CV 1 ASSI { 716} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 8 and name HA )) 2.800 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.90700E-02 ppm1 3.354 ppm2 4.430 CV 1 ASSI { 718} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.300 0.700 0.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13664E-01 ppm1 7.926 ppm2 4.430 CV 1 ASSI { 720} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.500 1.500 1.500 peak 720 spectrum 1 weight 0.10000E+01 volume 0.22420E-02 ppm1 8.529 ppm2 4.430 CV 1 ASSI { 722} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HA )) 3.000 1.100 1.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.32393E-02 ppm1 2.056 ppm2 4.430 CV 1 OR { 722} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 8 and name HA )) ASSI { 724} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.400 1.400 1.400 peak 724 spectrum 1 weight 0.10000E+01 volume 0.23715E-02 ppm1 7.696 ppm2 4.430 CV 1 ASSI { 725} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HB3 )) 1.700 0.300 0.500 peak 725 spectrum 1 weight 0.10000E+01 volume 0.13193E-01 ppm1 3.429 ppm2 3.354 CV 1 ASSI { 728} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.000 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.91878E-02 ppm1 7.926 ppm2 3.429 CV 1 ASSI { 730} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.800 1.800 1.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.55755E-02 ppm1 8.529 ppm2 3.429 CV 1 ASSI { 731} (( segid " " and resid 8 and name HB3 )) (( segid " " and resid 9 and name HN )) 3.200 1.300 1.300 peak 731 spectrum 1 weight 0.10000E+01 volume 0.33728E-02 ppm1 3.354 ppm2 8.529 CV 1 ASSI { 733} ( segid " " and resid 8 and name HD% ) (( segid " " and resid 7 and name HG3 )) 3.200 3.200 2.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.90700E-03 ppm1 7.358 ppm2 1.434 CV 1 ASSI { 734} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 2.000 0.500 0.500 peak 734 spectrum 1 weight 0.10000E+01 volume 0.66356E-02 ppm1 7.926 ppm2 8.529 CV 1 ASSI { 736} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HN )) 3.300 3.300 2.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.65571E-03 ppm1 1.923 ppm2 8.006 CV 1 ASSI { 737} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 9 and name HD1%) 2.400 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.18376E-01 ppm1 1.688 ppm2 1.006 CV 1 OR { 737} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 9 and name HD2%) ASSI { 739} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 9 and name HN )) 3.200 1.300 1.300 peak 739 spectrum 1 weight 0.10000E+01 volume 0.65178E-02 ppm1 1.688 ppm2 8.529 CV 1 ASSI { 742} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB3 )) 3.000 1.100 1.100 peak 742 spectrum 1 weight 0.10000E+01 volume 0.27131E-02 ppm1 8.417 ppm2 1.688 CV 1 ASSI { 743} (( segid " " and resid 9 and name HB3 )) ( segid " " and resid 13 and name HG1%) 4.500 2.500 1.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.12996E-02 ppm1 1.688 ppm2 1.128 CV 1 ASSI { 744} (( segid " " and resid 9 and name HB3 )) (( segid " " and resid 13 and name HN )) 3.600 1.600 1.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.26857E-02 ppm1 1.688 ppm2 8.717 CV 1 ASSI { 745} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HN )) 4.000 2.000 2.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.50650E-02 ppm1 1.006 ppm2 8.529 CV 1 OR { 745} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HN )) ASSI { 747} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 10 and name HN )) 4.200 2.200 1.800 peak 747 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 1.006 ppm2 8.417 CV 1 ASSI { 749} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HA )) 4.900 3.000 1.100 peak 749 spectrum 1 weight 0.10000E+01 volume 0.17590E-02 ppm1 8.529 ppm2 4.007 CV 1 ASSI { 751} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.600 0.800 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.49473E-02 ppm1 8.529 ppm2 8.417 CV 1 ASSI { 753} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 3.700 1.700 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.15234E-02 ppm1 8.529 ppm2 7.696 CV 1 ASSI { 755} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.900 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.68712E-02 ppm1 4.007 ppm2 8.417 CV 1 ASSI { 757} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 3.500 1.600 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 4.007 ppm2 7.696 CV 1 ASSI { 760} (( segid " " and resid 13 and name HA )) (( segid " " and resid 10 and name HA )) 4.900 3.000 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.17433E-02 ppm1 3.674 ppm2 4.007 CV 1 ASSI { 761} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HB )) 2.700 0.900 0.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.71068E-02 ppm1 4.007 ppm2 2.268 CV 1 ASSI { 763} (( segid " " and resid 10 and name HA )) ( segid " " and resid 13 and name HG1%) 3.600 1.600 1.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.54577E-02 ppm1 4.007 ppm2 1.128 CV 1 ASSI { 765} (( segid " " and resid 10 and name HA )) ( segid " " and resid 13 and name HG2%) 3.900 1.900 1.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.35652E-02 ppm1 4.007 ppm2 1.018 CV 1 ASSI { 768} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 3.300 1.400 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.30115E-02 ppm1 8.717 ppm2 4.007 CV 1 ASSI { 769} (( segid " " and resid 10 and name HA )) (( segid " " and resid 14 and name HN )) 3.200 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.32471E-02 ppm1 4.007 ppm2 8.302 CV 1 ASSI { 771} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 6 and name HA )) 3.000 3.000 3.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.12996E-02 ppm1 1.437 ppm2 4.349 CV 1 ASSI { 773} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HN )) 4.900 3.000 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.15038E-02 ppm1 4.130 ppm2 8.417 CV 1 ASSI { 775} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 10 and name HN )) 4.400 2.400 1.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.22538E-02 ppm1 2.056 ppm2 8.417 CV 1 OR { 775} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 10 and name HN )) ASSI { 776} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.46331E-02 ppm1 8.417 ppm2 7.696 CV 1 ASSI { 779} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HN )) 3.600 1.700 1.700 peak 779 spectrum 1 weight 0.10000E+01 volume 0.39068E-02 ppm1 7.943 ppm2 8.417 CV 1 ASSI { 780} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HN )) 4.900 3.000 1.100 peak 780 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 8.417 ppm2 8.717 CV 1 ASSI { 781} (( segid " " and resid 10 and name HN )) (( segid " " and resid 14 and name HN )) 6.000 4.800 0.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.41227E-03 ppm1 8.417 ppm2 8.302 CV 1 ASSI { 782} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB3 )) 2.400 0.700 0.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.17001E-01 ppm1 4.130 ppm2 2.056 CV 1 OR { 782} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 785} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.800 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.70282E-02 ppm1 7.696 ppm2 4.130 CV 1 ASSI { 787} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.500 1.500 1.500 peak 787 spectrum 1 weight 0.10000E+01 volume 0.14174E-02 ppm1 7.943 ppm2 4.130 CV 1 ASSI { 788} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HN )) 2.500 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.80098E-02 ppm1 2.056 ppm2 7.696 CV 1 OR { 788} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HN )) ASSI { 790} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 14 and name HN )) 5.000 3.100 1.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.14960E-02 ppm1 2.056 ppm2 8.302 CV 1 OR { 790} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 14 and name HN )) ASSI { 792} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.400 0.700 0.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.65963E-02 ppm1 7.696 ppm2 7.943 CV 1 ASSI { 794} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HN )) 4.800 2.900 1.200 peak 794 spectrum 1 weight 0.10000E+01 volume 0.11897E-02 ppm1 7.696 ppm2 8.717 CV 1 ASSI { 796} (( segid " " and resid 11 and name HN )) (( segid " " and resid 14 and name HN )) 4.800 2.900 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.13389E-02 ppm1 7.696 ppm2 8.302 CV 1 ASSI { 797} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 4.000 2.000 2.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 4.069 ppm2 8.191 CV 1 ASSI { 799} (( segid " " and resid 12 and name HB3 )) ( segid " " and resid 13 and name HG1%) 4.800 2.900 1.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.30273E-02 ppm1 2.034 ppm2 1.128 CV 1 OR { 799} (( segid " " and resid 12 and name HB2 )) ( segid " " and resid 13 and name HG1%) ASSI { 801} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB3 )) 2.600 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.72638E-02 ppm1 8.717 ppm2 2.034 CV 1 OR { 801} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 802} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HA )) 5.100 3.200 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.16373E-02 ppm1 7.943 ppm2 3.674 CV 1 ASSI { 804} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 12 and name HN )) 5.100 3.200 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.34513E-02 ppm1 1.128 ppm2 7.943 CV 1 ASSI { 805} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.200 0.600 0.600 peak 805 spectrum 1 weight 0.10000E+01 volume 0.54577E-02 ppm1 7.943 ppm2 8.717 CV 1 ASSI { 807} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.19200E-01 ppm1 7.943 ppm2 8.302 CV 1 ASSI { 810} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name HA )) 2.600 0.800 0.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.17904E-01 ppm1 1.128 ppm2 3.674 CV 1 ASSI { 812} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.11936E-01 ppm1 1.018 ppm2 3.674 CV 1 ASSI { 814} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.800 0.900 0.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.59681E-02 ppm1 8.717 ppm2 3.674 CV 1 ASSI { 816} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 3.600 1.600 1.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.27131E-02 ppm1 8.302 ppm2 3.674 CV 1 ASSI { 817} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB )) 4.200 2.200 1.800 peak 817 spectrum 1 weight 0.10000E+01 volume 0.13742E-02 ppm1 3.674 ppm2 4.607 CV 1 ASSI { 818} (( segid " " and resid 13 and name HA )) ( segid " " and resid 16 and name HG2%) 4.500 2.500 1.500 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10209E-02 ppm1 3.674 ppm2 1.374 CV 1 OR { 818} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HG1 )) ASSI { 820} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) 3.900 1.900 1.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.16412E-02 ppm1 3.674 ppm2 8.024 CV 1 ASSI { 823} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) 3.900 1.900 1.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.19671E-02 ppm1 8.660 ppm2 3.674 CV 1 ASSI { 824} (( segid " " and resid 13 and name HB )) (( segid " " and resid 10 and name HN )) 2.800 2.800 3.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.19436E-02 ppm1 2.268 ppm2 8.417 CV 1 ASSI { 825} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name HN )) 3.200 1.300 1.300 peak 825 spectrum 1 weight 0.10000E+01 volume 0.13036E-01 ppm1 1.128 ppm2 8.717 CV 1 ASSI { 827} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HN )) 4.100 2.100 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.64393E-03 ppm1 1.018 ppm2 8.717 CV 1 ASSI { 829} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 14 and name HN )) 4.100 2.100 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.41227E-02 ppm1 1.018 ppm2 8.302 CV 1 ASSI { 831} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HA )) 4.400 2.400 1.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.34277E-02 ppm1 8.717 ppm2 4.114 CV 1 ASSI { 833} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.600 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.46724E-02 ppm1 8.717 ppm2 8.302 CV 1 ASSI { 836} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HN )) 3.700 1.700 1.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.23441E-02 ppm1 8.191 ppm2 8.717 CV 1 ASSI { 838} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.600 0.800 0.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.12525E-01 ppm1 8.302 ppm2 4.114 CV 1 ASSI { 839} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 2.200 0.600 0.600 peak 839 spectrum 1 weight 0.10000E+01 volume 0.19436E-01 ppm1 4.114 ppm2 8.191 CV 1 ASSI { 842} (( segid " " and resid 17 and name HA )) (( segid " " and resid 14 and name HA )) 5.500 3.700 0.500 peak 842 spectrum 1 weight 0.10000E+01 volume 0.11112E-02 ppm1 3.738 ppm2 4.114 CV 1 ASSI { 844} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 14 and name HA )) 2.800 1.000 1.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.94626E-02 ppm1 1.038 ppm2 4.114 CV 1 ASSI { 845} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.600 1.600 1.600 peak 845 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 4.114 ppm2 8.660 CV 1 ASSI { 847} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HN )) 2.600 2.600 3.400 peak 847 spectrum 1 weight 0.10000E+01 volume 0.16726E-01 ppm1 4.114 ppm2 8.254 CV 1 ASSI { 849} (( segid " " and resid 14 and name HN )) (( segid " " and resid 17 and name HN )) 4.900 3.000 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.14410E-02 ppm1 8.302 ppm2 8.660 CV 1 ASSI { 851} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB3 )) 2.300 0.600 0.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.31372E-01 ppm1 4.149 ppm2 2.007 CV 1 ASSI { 854} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.22812E-01 ppm1 1.792 ppm2 4.149 CV 1 OR { 854} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HA )) ASSI { 855} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 4.000 2.000 2.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.70675E-03 ppm1 4.149 ppm2 8.191 CV 1 ASSI { 858} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.13899E-01 ppm1 8.024 ppm2 4.149 CV 1 ASSI { 859} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.000 1.100 1.100 peak 859 spectrum 1 weight 0.10000E+01 volume 0.57325E-02 ppm1 4.149 ppm2 8.254 CV 1 ASSI { 861} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HD2 )) 3.000 1.100 1.100 peak 861 spectrum 1 weight 0.10000E+01 volume 0.74994E-02 ppm1 2.007 ppm2 1.792 CV 1 OR { 861} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HD3 )) ASSI { 863} (( segid " " and resid 15 and name HB3 )) (( segid " " and resid 15 and name HN )) 2.800 1.000 1.000 peak 863 spectrum 1 weight 0.10000E+01 volume 0.11347E-01 ppm1 2.007 ppm2 8.191 CV 1 ASSI { 866} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB3 )) 2.500 0.800 0.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.85988E-02 ppm1 8.024 ppm2 2.007 CV 1 ASSI { 867} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 867 spectrum 1 weight 0.10000E+01 volume 0.13860E-01 ppm1 1.792 ppm2 8.191 CV 1 OR { 867} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 15 and name HN )) ASSI { 869} (( segid " " and resid 15 and name HD2 )) (( segid " " and resid 18 and name HN )) 3.100 3.100 2.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.17158E-01 ppm1 1.792 ppm2 8.254 CV 1 OR { 869} (( segid " " and resid 15 and name HD3 )) (( segid " " and resid 18 and name HN )) ASSI { 870} (( segid " " and resid 15 and name HE3 )) (( segid " " and resid 15 and name HA )) 4.300 2.300 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.34042E-02 ppm1 3.067 ppm2 4.149 CV 1 OR { 870} (( segid " " and resid 15 and name HE2 )) (( segid " " and resid 15 and name HA )) ASSI { 871} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 3.900 1.900 1.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.93841E-03 ppm1 8.191 ppm2 3.674 CV 1 ASSI { 873} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.000 0.500 0.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.11818E-01 ppm1 8.024 ppm2 8.191 CV 1 ASSI { 875} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.14056E-02 ppm1 8.660 ppm2 8.191 CV 1 ASSI { 877} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HA )) 2.900 1.000 1.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.12957E-01 ppm1 1.374 ppm2 4.049 CV 1 OR { 877} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HA )) ASSI { 878} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.11936E-01 ppm1 4.049 ppm2 8.024 CV 1 ASSI { 881} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.400 1.500 1.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.27642E-02 ppm1 8.660 ppm2 4.049 CV 1 ASSI { 882} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HB2 )) 3.500 1.600 1.600 peak 882 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 4.049 ppm2 2.148 CV 1 ASSI { 885} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HA )) 3.700 1.700 1.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.27328E-02 ppm1 8.132 ppm2 4.049 CV 1 ASSI { 887} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HB )) 3.000 1.100 1.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.47117E-02 ppm1 1.374 ppm2 4.607 CV 1 OR { 887} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB )) ASSI { 888} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 13 and name HN )) 2.800 2.800 3.200 peak 888 spectrum 1 weight 0.10000E+01 volume 0.19789E-02 ppm1 1.374 ppm2 8.717 CV 1 OR { 888} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 13 and name HN )) ASSI { 890} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HG2%) 4.000 2.000 2.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.13389E-02 ppm1 8.024 ppm2 1.374 CV 1 OR { 890} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) ASSI { 891} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HA )) 4.100 2.100 1.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 1.374 ppm2 3.738 CV 1 OR { 891} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 17 and name HA )) ASSI { 892} (( segid " " and resid 17 and name HA )) ( segid " " and resid 16 and name HG2%) 4.100 2.100 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.13114E-02 ppm1 3.738 ppm2 1.374 CV 1 ASSI { 893} ( segid " " and resid 16 and name HG2%) ( segid " " and resid 17 and name HG1%) 4.700 2.700 1.300 peak 893 spectrum 1 weight 0.10000E+01 volume 0.42798E-02 ppm1 1.374 ppm2 1.142 CV 1 OR { 893} (( segid " " and resid 16 and name HG1 )) ( segid " " and resid 17 and name HG1%) ASSI { 894} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HN )) 3.700 1.700 1.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.24344E-02 ppm1 1.374 ppm2 8.660 CV 1 OR { 894} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 17 and name HN )) ASSI { 896} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 18 and name HN )) 5.300 3.500 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10758E-02 ppm1 1.374 ppm2 8.254 CV 1 OR { 896} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 18 and name HN )) ASSI { 897} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 19 and name HN )) 4.400 2.400 1.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.23205E-02 ppm1 1.374 ppm2 7.981 CV 1 OR { 897} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 19 and name HN )) ASSI { 898} (( segid " " and resid 19 and name HN )) ( segid " " and resid 16 and name HG2%) 5.200 3.400 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.43583E-03 ppm1 7.981 ppm2 1.374 CV 1 ASSI { 900} (( segid " " and resid 20 and name HE21)) ( segid " " and resid 16 and name HG2%) 3.100 1.200 1.200 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 7.246 ppm2 1.374 CV 1 OR { 900} (( segid " " and resid 20 and name HE21)) (( segid " " and resid 16 and name HG1 )) ASSI { 901} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 20 and name HG3 )) 3.400 1.500 1.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.44761E-02 ppm1 1.374 ppm2 2.589 CV 1 OR { 901} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 20 and name HG2 )) OR { 901} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 20 and name HG3 )) ASSI { 902} (( segid " " and resid 20 and name HG3 )) ( segid " " and resid 16 and name HG2%) 2.700 0.900 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.40835E-02 ppm1 2.589 ppm2 1.374 CV 1 OR { 902} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 16 and name HG1 )) ASSI { 903} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 20 and name HN )) 4.400 2.400 1.600 peak 903 spectrum 1 weight 0.10000E+01 volume 0.16569E-02 ppm1 1.374 ppm2 8.132 CV 1 OR { 903} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 20 and name HN )) ASSI { 904} (( segid " " and resid 20 and name HN )) ( segid " " and resid 16 and name HG2%) 4.300 2.300 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 8.132 ppm2 1.374 CV 1 ASSI { 906} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.44761E-02 ppm1 8.660 ppm2 8.024 CV 1 ASSI { 907} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HN )) 3.200 1.200 1.200 peak 907 spectrum 1 weight 0.10000E+01 volume 0.97767E-02 ppm1 8.024 ppm2 8.254 CV 1 ASSI { 909} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HA )) 4.800 2.900 1.200 peak 909 spectrum 1 weight 0.10000E+01 volume 0.72638E-03 ppm1 3.738 ppm2 4.049 CV 1 ASSI { 910} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HN )) 5.300 3.500 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.10523E-02 ppm1 3.738 ppm2 8.024 CV 1 ASSI { 911} (( segid " " and resid 17 and name HA )) ( segid " " and resid 17 and name HG1%) 2.600 0.800 0.800 peak 911 spectrum 1 weight 0.10000E+01 volume 0.12447E-01 ppm1 3.738 ppm2 1.142 CV 1 ASSI { 914} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 17 and name HA )) 2.600 0.900 0.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.13428E-01 ppm1 1.038 ppm2 3.738 CV 1 ASSI { 915} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.800 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.54577E-02 ppm1 3.738 ppm2 8.660 CV 1 ASSI { 918} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 3.500 1.500 1.500 peak 918 spectrum 1 weight 0.10000E+01 volume 0.29330E-02 ppm1 8.254 ppm2 3.738 CV 1 ASSI { 920} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) 3.800 1.800 1.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.16255E-02 ppm1 7.981 ppm2 3.738 CV 1 ASSI { 921} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HA )) 5.200 3.400 0.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.81669E-03 ppm1 3.738 ppm2 4.258 CV 1 ASSI { 922} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HB2 )) 3.600 1.600 1.600 peak 922 spectrum 1 weight 0.10000E+01 volume 0.14056E-02 ppm1 3.738 ppm2 2.362 CV 1 ASSI { 924} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HB3 )) 4.800 2.900 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.14999E-02 ppm1 3.738 ppm2 2.298 CV 1 ASSI { 927} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 17 and name HA )) 3.400 1.500 1.500 peak 927 spectrum 1 weight 0.10000E+01 volume 0.43976E-02 ppm1 2.589 ppm2 3.738 CV 1 OR { 927} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 17 and name HA )) ASSI { 929} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.200 1.200 peak 929 spectrum 1 weight 0.10000E+01 volume 0.32471E-02 ppm1 8.132 ppm2 3.738 CV 1 ASSI { 931} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HA )) 3.900 1.900 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 8.749 ppm2 3.738 CV 1 ASSI { 932} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 17 and name HN )) 3.800 1.800 1.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.11229E-01 ppm1 1.142 ppm2 8.660 CV 1 ASSI { 934} ( segid " " and resid 17 and name HG1%) (( segid " " and resid 18 and name HN )) 3.800 1.800 1.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.57718E-02 ppm1 1.142 ppm2 8.254 CV 1 ASSI { 936} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 16 and name HB )) 4.600 2.700 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 1.038 ppm2 4.607 CV 1 ASSI { 937} ( segid " " and resid 17 and name HG2%) (( segid " " and resid 17 and name HN )) 2.600 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.61644E-02 ppm1 1.038 ppm2 8.660 CV 1 ASSI { 940} (( segid " " and resid 18 and name HN )) ( segid " " and resid 17 and name HG2%) 4.500 2.500 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.28780E-02 ppm1 8.254 ppm2 1.038 CV 1 ASSI { 941} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB )) 3.700 1.800 1.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 8.660 ppm2 4.607 CV 1 ASSI { 942} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.600 0.800 0.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.40049E-02 ppm1 8.660 ppm2 8.254 CV 1 ASSI { 945} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HN )) 3.500 1.500 1.500 peak 945 spectrum 1 weight 0.10000E+01 volume 0.27877E-02 ppm1 7.981 ppm2 8.660 CV 1 ASSI { 946} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.39264E-02 ppm1 8.254 ppm2 7.981 CV 1 ASSI { 948} (( segid " " and resid 19 and name HB2 )) ( segid " " and resid 16 and name HG2%) 4.800 2.900 1.200 peak 948 spectrum 1 weight 0.10000E+01 volume 0.73031E-03 ppm1 2.148 ppm2 1.374 CV 1 ASSI { 949} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.200 0.600 0.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.10169E-01 ppm1 2.148 ppm2 7.981 CV 1 ASSI { 952} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 3.000 1.100 1.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.11701E-01 ppm1 8.132 ppm2 2.148 CV 1 ASSI { 953} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB2 )) 5.100 3.200 0.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.16569E-02 ppm1 7.981 ppm2 2.362 CV 1 ASSI { 956} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 19 and name HN )) 4.800 2.900 1.200 peak 956 spectrum 1 weight 0.10000E+01 volume 0.14763E-02 ppm1 2.589 ppm2 7.981 CV 1 OR { 956} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 19 and name HN )) ASSI { 957} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.100 0.500 0.500 peak 957 spectrum 1 weight 0.10000E+01 volume 0.16216E-01 ppm1 7.981 ppm2 8.132 CV 1 ASSI { 960} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HN )) 4.300 2.300 1.700 peak 960 spectrum 1 weight 0.10000E+01 volume 0.12682E-02 ppm1 8.749 ppm2 7.981 CV 1 ASSI { 962} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) 2.700 0.900 0.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.16609E-01 ppm1 2.362 ppm2 4.258 CV 1 ASSI { 964} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.64000E-02 ppm1 8.132 ppm2 4.258 CV 1 ASSI { 966} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.100 1.200 1.200 peak 966 spectrum 1 weight 0.10000E+01 volume 0.25836E-02 ppm1 8.749 ppm2 4.258 CV 1 ASSI { 968} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HA )) 2.800 1.000 1.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.62430E-02 ppm1 7.953 ppm2 4.258 CV 1 ASSI { 969} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 16 and name HG2%) 4.300 2.300 1.700 peak 969 spectrum 1 weight 0.10000E+01 volume 0.72638E-03 ppm1 2.362 ppm2 1.374 CV 1 ASSI { 970} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG3 )) 2.300 0.600 0.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.20417E-01 ppm1 2.362 ppm2 2.589 CV 1 OR { 970} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) ASSI { 972} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 972 spectrum 1 weight 0.10000E+01 volume 0.30351E-02 ppm1 2.362 ppm2 8.132 CV 1 ASSI { 975} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.900 1.900 1.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.32236E-02 ppm1 8.749 ppm2 2.362 CV 1 ASSI { 977} (( segid " " and resid 20 and name HE22)) (( segid " " and resid 20 and name HE21)) 1.800 0.400 0.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.27838E-01 ppm1 6.718 ppm2 7.246 CV 1 ASSI { 979} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HE21)) 3.000 1.100 1.100 peak 979 spectrum 1 weight 0.10000E+01 volume 0.43190E-02 ppm1 2.589 ppm2 7.246 CV 1 OR { 979} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HE21)) ASSI { 980} (( segid " " and resid 20 and name HE22)) (( segid " " and resid 20 and name HG3 )) 4.300 2.300 1.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.26385E-02 ppm1 6.718 ppm2 2.589 CV 1 OR { 980} (( segid " " and resid 20 and name HE22)) (( segid " " and resid 20 and name HG2 )) ASSI { 982} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 18 and name HN )) 2.400 2.400 3.600 peak 982 spectrum 1 weight 0.10000E+01 volume 0.47902E-02 ppm1 2.589 ppm2 8.254 CV 1 OR { 982} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 18 and name HN )) ASSI { 983} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.75387E-02 ppm1 2.589 ppm2 8.132 CV 1 OR { 983} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) ASSI { 985} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 21 and name HN )) 4.700 2.700 1.300 peak 985 spectrum 1 weight 0.10000E+01 volume 0.22773E-02 ppm1 2.589 ppm2 8.749 CV 1 OR { 985} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 21 and name HN )) ASSI { 986} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG2 )) 4.000 2.000 2.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.22459E-02 ppm1 8.749 ppm2 2.589 CV 1 ASSI { 987} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HN )) 3.200 3.200 2.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.78135E-02 ppm1 8.132 ppm2 8.660 CV 1 ASSI { 989} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 2.700 0.900 0.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.70282E-02 ppm1 8.749 ppm2 8.132 CV 1 ASSI { 991} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.800 1.000 1.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.10248E-01 ppm1 8.749 ppm2 4.207 CV 1 ASSI { 992} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 22 and name HN )) 2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.20574E-01 ppm1 1.594 ppm2 8.154 CV 1 ASSI { 994} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.74209E-02 ppm1 8.749 ppm2 8.154 CV 1 ASSI { 996} ( segid " " and resid 22 and name HB% ) (( segid " " and resid 22 and name HN )) 2.600 0.900 0.900 peak 996 spectrum 1 weight 0.10000E+01 volume 0.15352E-01 ppm1 1.651 ppm2 8.154 CV 1 ASSI { 999} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HB% ) 3.200 1.300 1.300 peak 999 spectrum 1 weight 0.10000E+01 volume 0.11701E-01 ppm1 7.953 ppm2 1.651 CV 1 ASSI { 1000} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.600 0.900 0.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.53792E-02 ppm1 8.154 ppm2 7.953 CV 1 ASSI { 1002} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 25 and name HN )) 5.100 3.200 0.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.63608E-03 ppm1 2.084 ppm2 8.348 CV 1 OR { 1002} (( segid " " and resid 23 and name HB3 )) (( segid " " and resid 25 and name HN )) ASSI { 1003} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 2.300 0.700 0.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.13507E-01 ppm1 7.953 ppm2 8.173 CV 1 ASSI { 1006} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HN )) 4.100 2.100 1.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.30979E-02 ppm1 8.348 ppm2 7.953 CV 1 ASSI { 1007} (( segid " " and resid 24 and name HB3 )) (( segid " " and resid 26 and name HN )) 4.300 2.300 1.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.20103E-02 ppm1 2.294 ppm2 8.030 CV 1 OR { 1007} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 26 and name HN )) ASSI { 1009} (( segid " " and resid 24 and name HE21)) (( segid " " and resid 24 and name HG3 )) 3.400 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.23087E-02 ppm1 7.306 ppm2 2.574 CV 1 OR { 1009} (( segid " " and resid 24 and name HE21)) (( segid " " and resid 24 and name HG2 )) ASSI { 1011} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HN )) 3.300 1.400 1.400 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.78135E-02 ppm1 2.574 ppm2 8.173 CV 1 OR { 1011} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 24 and name HN )) ASSI { 1013} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 25 and name HN )) 4.300 2.300 1.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.23323E-02 ppm1 2.574 ppm2 8.348 CV 1 OR { 1013} (( segid " " and resid 24 and name HG3 )) (( segid " " and resid 25 and name HN )) ASSI { 1015} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 2.400 0.700 0.700 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.12015E-01 ppm1 8.173 ppm2 8.348 CV 1 ASSI { 1018} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA2 )) 2.600 0.800 0.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.80884E-02 ppm1 8.348 ppm2 4.023 CV 1 ASSI { 1020} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 3.200 1.300 1.300 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.49865E-02 ppm1 8.030 ppm2 8.348 CV 1 ASSI { 1022} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.900 1.000 1.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.13899E-01 ppm1 7.916 ppm2 8.030 CV 1 ASSI { 1023} (( segid " " and resid 27 and name HB3 )) ( segid " " and resid 28 and name HD% ) 4.600 2.700 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.93448E-03 ppm1 1.918 ppm2 7.251 CV 1 OR { 1023} (( segid " " and resid 27 and name HB2 )) ( segid " " and resid 28 and name HD% ) ASSI { 1024} (( segid " " and resid 27 and name HB3 )) (( segid " " and resid 28 and name HN )) 3.300 1.400 1.400 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.44761E-02 ppm1 1.918 ppm2 7.858 CV 1 OR { 1024} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) ASSI { 1027} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HA )) 3.100 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.54577E-02 ppm1 3.193 ppm2 4.457 CV 1 ASSI { 1029} ( segid " " and resid 28 and name HD% ) (( segid " " and resid 28 and name HA )) 3.300 1.400 1.400 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.47509E-02 ppm1 7.251 ppm2 4.457 CV 1 ASSI { 1031} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.900 1.000 1.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.76957E-02 ppm1 7.858 ppm2 4.457 CV 1 ASSI { 1032} (( segid " " and resid 28 and name HB2 )) ( segid " " and resid 28 and name HD% ) 2.800 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.82454E-02 ppm1 3.351 ppm2 7.251 CV 1 ASSI { 1035} ( segid " " and resid 28 and name HE% ) (( segid " " and resid 28 and name HB2 )) 5.800 4.100 0.200 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.98160E-03 ppm1 6.921 ppm2 3.351 CV 1 ASSI { 1037} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.500 0.800 0.800 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.94233E-02 ppm1 7.858 ppm2 3.351 CV 1 ASSI { 1038} (( segid " " and resid 28 and name HB3 )) ( segid " " and resid 28 and name HD% ) 2.700 0.900 0.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.77743E-02 ppm1 3.193 ppm2 7.251 CV 1 ASSI { 1041} ( segid " " and resid 28 and name HE% ) (( segid " " and resid 28 and name HB3 )) 5.700 4.000 0.300 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 6.921 ppm2 3.193 CV 1 ASSI { 1042} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HN )) 3.300 1.300 1.300 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.47902E-02 ppm1 3.193 ppm2 7.858 CV 1 ASSI { 1045} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB3 )) 3.900 1.900 1.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.13271E-02 ppm1 7.901 ppm2 3.193 CV 1 ASSI { 1046} ( segid " " and resid 28 and name HD% ) ( segid " " and resid 28 and name HE% ) 2.100 0.600 0.600 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.34120E-01 ppm1 7.251 ppm2 6.921 CV 1 ASSI { 1048} ( segid " " and resid 28 and name HD% ) (( segid " " and resid 28 and name HN )) 3.900 1.900 1.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.25443E-02 ppm1 7.251 ppm2 7.858 CV 1 ASSI { 1051} (( segid " " and resid 29 and name HA )) ( segid " " and resid 28 and name HD% ) 4.100 2.100 1.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 3.844 ppm2 7.251 CV 1 ASSI { 1052} ( segid " " and resid 28 and name HD% ) ( segid " " and resid 29 and name HG1%) 4.400 2.400 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.21870E-02 ppm1 7.250 ppm2 1.196 CV 1 ASSI { 1055} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD% ) 4.700 2.800 1.300 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 7.901 ppm2 7.251 CV 1 ASSI { 1057} (( segid " " and resid 32 and name HG3 )) ( segid " " and resid 28 and name HE% ) 4.300 2.300 1.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 1.497 ppm2 6.921 CV 1 OR { 1057} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 28 and name HE% ) ASSI { 1058} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB )) 2.900 1.000 1.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.54577E-02 ppm1 3.844 ppm2 2.317 CV 1 ASSI { 1061} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 29 and name HA )) 2.700 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.11544E-01 ppm1 1.196 ppm2 3.844 CV 1 ASSI { 1062} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.900 1.000 1.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.49080E-02 ppm1 3.844 ppm2 7.901 CV 1 ASSI { 1065} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 29 and name HA )) 5.400 3.600 0.600 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 1.135 ppm2 3.844 CV 1 ASSI { 1066} (( segid " " and resid 29 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.34356E-02 ppm1 3.844 ppm2 1.964 CV 1 ASSI { 1069} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 29 and name HA )) 2.700 0.900 0.900 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.10562E-01 ppm1 1.938 ppm2 3.844 CV 1 ASSI { 1070} (( segid " " and resid 29 and name HA )) (( segid " " and resid 33 and name HN )) 4.600 2.600 1.400 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.10366E-02 ppm1 3.844 ppm2 8.310 CV 1 ASSI { 1073} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 29 and name HB )) 2.500 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12290E-01 ppm1 1.196 ppm2 2.317 CV 1 ASSI { 1075} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB )) 2.900 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.81669E-02 ppm1 7.901 ppm2 2.317 CV 1 ASSI { 1076} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 29 and name HN )) 3.000 1.100 1.100 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.91485E-02 ppm1 1.196 ppm2 7.901 CV 1 ASSI { 1078} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 30 and name HA )) 4.800 2.900 1.200 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.89522E-03 ppm1 1.196 ppm2 3.902 CV 1 ASSI { 1079} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HA )) 5.000 3.200 1.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.17237E-02 ppm1 7.901 ppm2 3.902 CV 1 ASSI { 1081} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 29 and name HN )) 5.000 3.100 1.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.25207E-02 ppm1 1.135 ppm2 7.901 CV 1 ASSI { 1083} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.12172E-01 ppm1 1.135 ppm2 3.902 CV 1 ASSI { 1085} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 3.400 1.500 1.500 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.30822E-02 ppm1 8.310 ppm2 3.902 CV 1 ASSI { 1086} ( segid " " and resid 30 and name HG1%) (( segid " " and resid 28 and name HN )) 2.700 2.700 3.300 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 1.135 ppm2 7.858 CV 1 ASSI { 1087} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) 3.500 1.500 1.500 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.25757E-02 ppm1 2.951 ppm2 4.610 CV 1 ASSI { 1088} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB3 )) 1.700 0.300 0.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.29526E-01 ppm1 2.951 ppm2 2.878 CV 1 ASSI { 1091} (( segid " " and resid 31 and name HD21)) (( segid " " and resid 31 and name HB2 )) 3.600 1.600 1.600 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.18611E-02 ppm1 7.543 ppm2 2.951 CV 1 ASSI { 1093} (( segid " " and resid 31 and name HD22)) (( segid " " and resid 31 and name HB2 )) 4.700 2.700 1.300 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.17276E-02 ppm1 6.734 ppm2 2.951 CV 1 ASSI { 1094} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 2.878 ppm2 4.610 CV 1 ASSI { 1095} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HD21)) 3.800 1.800 1.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 2.878 ppm2 7.543 CV 1 ASSI { 1098} (( segid " " and resid 31 and name HD22)) (( segid " " and resid 31 and name HB3 )) 4.800 2.800 1.200 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 6.734 ppm2 2.878 CV 1 ASSI { 1099} (( segid " " and resid 31 and name HD21)) (( segid " " and resid 31 and name HD22)) 1.700 0.400 0.500 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.36830E-01 ppm1 7.543 ppm2 6.734 CV 1 ASSI { 1102} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) 2.600 0.800 0.800 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.10248E-01 ppm1 1.964 ppm2 4.172 CV 1 ASSI { 1104} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HA )) 2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10876E-01 ppm1 1.938 ppm2 4.172 CV 1 ASSI { 1106} (( segid " " and resid 32 and name HG3 )) (( segid " " and resid 32 and name HA )) 3.600 1.600 1.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.11779E-02 ppm1 1.497 ppm2 4.172 CV 1 OR { 1106} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HA )) ASSI { 1107} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 3.200 1.300 1.300 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.27681E-02 ppm1 4.172 ppm2 8.310 CV 1 ASSI { 1109} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HN )) 3.400 1.500 1.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 4.172 ppm2 7.928 CV 1 ASSI { 1111} (( segid " " and resid 32 and name HB3 )) ( segid " " and resid 29 and name HG1%) 2.900 2.900 3.100 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.16216E-02 ppm1 1.938 ppm2 1.196 CV 1 ASSI { 1112} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HG2 )) 2.100 0.500 0.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.29566E-01 ppm1 1.938 ppm2 1.497 CV 1 OR { 1112} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 32 and name HG3 )) ASSI { 1114} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 33 and name HN )) 2.900 1.100 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.80491E-02 ppm1 1.938 ppm2 8.310 CV 1 ASSI { 1116} (( segid " " and resid 32 and name HG3 )) ( segid " " and resid 28 and name HD% ) 4.400 2.400 1.600 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.12407E-02 ppm1 1.497 ppm2 7.251 CV 1 OR { 1116} (( segid " " and resid 32 and name HG2 )) ( segid " " and resid 28 and name HD% ) ASSI { 1117} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 29 and name HA )) 5.400 3.700 0.600 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.10052E-02 ppm1 1.497 ppm2 3.844 CV 1 OR { 1117} (( segid " " and resid 32 and name HG3 )) (( segid " " and resid 29 and name HA )) ASSI { 1119} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG3 )) 3.800 1.800 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.29173E-03 ppm1 8.310 ppm2 1.497 CV 1 OR { 1119} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG2 )) ASSI { 1121} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HA )) 4.800 2.900 1.200 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.33100E-03 ppm1 2.532 ppm2 4.267 CV 1 OR { 1121} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HA )) ASSI { 1122} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 3.100 1.200 1.200 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.40835E-02 ppm1 4.267 ppm2 8.310 CV 1 ASSI { 1124} (( segid " " and resid 33 and name HE21)) (( segid " " and resid 33 and name HE22)) 1.800 0.400 0.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.25600E-01 ppm1 7.183 ppm2 6.621 CV 1 ASSI { 1126} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 30 and name HA )) 4.300 2.300 1.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.16452E-02 ppm1 2.532 ppm2 3.902 CV 1 OR { 1126} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 30 and name HA )) ASSI { 1127} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 33 and name HN )) 3.900 1.900 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.52614E-02 ppm1 2.532 ppm2 8.310 CV 1 OR { 1127} (( segid " " and resid 33 and name HG3 )) (( segid " " and resid 33 and name HN )) ASSI { 1130} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HA )) 2.900 1.000 1.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.87559E-02 ppm1 2.258 ppm2 4.461 CV 1 OR { 1130} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) ASSI { 1131} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HG2 )) 2.700 0.900 0.900 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.11583E-01 ppm1 2.258 ppm2 2.814 CV 1 OR { 1131} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG2 )) ASSI { 1133} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HA )) 3.800 1.900 1.900 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.18454E-02 ppm1 2.814 ppm2 4.461 CV 1 ASSI { 1134} (( segid " " and resid 35 and name H1 )) (( segid " " and resid 34 and name HA )) 5.100 3.200 0.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.53792E-03 ppm1 7.312 ppm2 4.461 CV 1 ASSI { 1135} (( segid " " and resid 35 and name H1 )) (( segid " " and resid 35 and name H2 )) 1.700 0.400 0.500 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.37222E-01 ppm1 7.312 ppm2 6.995 CV 1 ASSI { 1137} (( segid " " and resid 35 and name H2 )) (( segid " " and resid 35 and name HN )) 4.800 2.900 1.200 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.15941E-02 ppm1 6.995 ppm2 7.928 CV 1 ASSI { 1140} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HA )) 3.600 1.600 1.600 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.29016E-02 ppm1 2.594 ppm2 4.379 CV 1 ASSI { 1141} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.78135E-02 ppm1 4.379 ppm2 7.928 CV 1 ASSI { 1143} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name H1 )) 4.700 2.700 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.86773E-03 ppm1 2.190 ppm2 7.312 CV 1 ASSI { 1144} (( segid " " and resid 35 and name HG3 )) (( segid " " and resid 35 and name HN )) 4.000 2.000 2.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.24933E-02 ppm1 2.594 ppm2 7.928 CV 1
Contact the webmaster for help, if required. Sunday, June 2, 2024 8:10:04 AM GMT (wattos1)