NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
20187 | 2fb7 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) 3.700 1.700 1.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.244 ppm2 9.091 CV 1 ASSI { 2} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.900 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.244 ppm2 4.833 CV 1 ASSI { 4} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.242 ppm2 2.889 CV 1 ASSI { 5} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.600 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.241 ppm2 1.375 CV 1 ASSI { 6} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HG12)) 3.300 3.300 2.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.245 ppm2 0.980 CV 1 ASSI { 9} (( segid " " and resid 37 and name HN )) (( segid " " and resid 49 and name HN )) 3.200 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.237 ppm2 9.513 CV 1 ASSI { 10} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.241 ppm2 7.659 CV 1 ASSI { 11} (( segid " " and resid 37 and name HN )) ( segid " " and resid 37 and name HD% ) 3.900 1.900 1.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.239 ppm2 7.094 CV 1 ASSI { 12} (( segid " " and resid 37 and name HN )) (( segid " " and resid 48 and name HA )) 2.900 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.239 ppm2 5.442 CV 1 ASSI { 13} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.240 ppm2 3.041 CV 1 ASSI { 17} (( segid " " and resid 66 and name HN )) (( segid " " and resid 16 and name HD2 )) 2.500 2.500 3.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.632 ppm2 3.652 CV 1 ASSI { 18} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB )) 3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.630 ppm2 1.719 CV 1 ASSI { 19} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HD1%) 2.500 2.500 3.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.631 ppm2 0.783 CV 1 ASSI { 21} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 3.600 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.628 ppm2 8.475 CV 1 ASSI { 23} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.900 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.629 ppm2 4.675 CV 1 ASSI { 25} (( segid " " and resid 66 and name HN )) (( segid " " and resid 14 and name HA1 )) 2.500 2.500 3.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.627 ppm2 4.227 CV 1 ASSI { 27} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HB% ) 2.900 1.100 1.100 peak 27 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.630 ppm2 1.442 CV 1 ASSI { 32} (( segid " " and resid 24 and name HN )) (( segid " " and resid 32 and name HN )) 2.800 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.432 ppm2 9.696 CV 1 ASSI { 35} (( segid " " and resid 24 and name HN )) (( segid " " and resid 33 and name HA )) 3.400 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.433 ppm2 5.914 CV 1 ASSI { 37} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.800 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.435 ppm2 5.134 CV 1 ASSI { 38} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB1 )) 3.400 1.500 1.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.433 ppm2 3.626 CV 1 ASSI { 39} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB2 )) 3.500 1.500 1.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.431 ppm2 3.477 CV 1 ASSI { 40} (( segid " " and resid 24 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.900 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.432 ppm2 2.562 CV 1 ASSI { 41} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) 2.900 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.432 ppm2 1.334 CV 1 OR { 41} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) ASSI { 43} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HD2%) 3.700 1.700 1.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.435 ppm2 0.039 CV 1 OR { 43} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HD1%) ASSI { 48} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.892 ppm2 2.071 CV 1 ASSI { 49} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB1 )) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.893 ppm2 1.904 CV 1 ASSI { 50} (( segid " " and resid 95 and name HN )) ( segid " " and resid 94 and name HD1%) 2.500 2.500 3.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.894 ppm2 0.905 CV 1 ASSI { 52} (( segid " " and resid 83 and name HN )) (( segid " " and resid 27 and name HN )) 3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.163 ppm2 8.520 CV 1 ASSI { 53} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 3.500 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.163 ppm2 7.402 CV 1 ASSI { 55} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HN )) 2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.162 ppm2 7.925 CV 1 ASSI { 58} (( segid " " and resid 83 and name HN )) (( segid " " and resid 27 and name HA )) 3.000 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.162 ppm2 4.032 CV 1 ASSI { 61} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB1 )) 3.400 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.161 ppm2 1.311 CV 1 OR { 61} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG1 )) ASSI { 63} (( segid " " and resid 83 and name HN )) ( segid " " and resid 24 and name HD1%) 3.500 1.500 1.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.160 ppm2 0.033 CV 1 ASSI { 64} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.900 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.158 ppm2 4.324 CV 1 ASSI { 65} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB )) 2.900 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.158 ppm2 1.881 CV 1 ASSI { 69} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.063 ppm2 4.682 CV 1 ASSI { 70} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.062 ppm2 4.366 CV 1 ASSI { 71} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.600 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.062 ppm2 1.369 CV 1 ASSI { 73} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.300 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.061 ppm2 2.221 CV 1 ASSI { 74} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB )) 3.300 1.300 1.300 peak 74 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.061 ppm2 1.903 CV 1 ASSI { 75} (( segid " " and resid 47 and name HN )) (( segid " " and resid 37 and name HN )) 3.300 1.400 1.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.860 ppm2 9.251 CV 1 ASSI { 76} (( segid " " and resid 47 and name HN )) (( segid " " and resid 38 and name HN )) 3.000 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.861 ppm2 7.664 CV 1 ASSI { 77} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.800 1.000 1.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.861 ppm2 5.478 CV 1 ASSI { 78} (( segid " " and resid 47 and name HN )) (( segid " " and resid 39 and name HG12)) 3.100 1.200 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.857 ppm2 0.993 CV 1 ASSI { 82} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.858 ppm2 4.526 CV 1 ASSI { 83} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG1%) 3.200 1.300 1.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.858 ppm2 0.727 CV 1 OR { 83} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG2%) ASSI { 84} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB )) 3.400 1.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.856 ppm2 1.819 CV 1 ASSI { 85} (( segid " " and resid 47 and name HN )) ( segid " " and resid 47 and name HB% ) 2.800 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.857 ppm2 1.368 CV 1 ASSI { 86} (( segid " " and resid 47 and name HN )) ( segid " " and resid 39 and name HD1%) 2.500 2.500 3.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.856 ppm2 0.829 CV 1 ASSI { 88} (( segid " " and resid 40 and name HN )) (( segid " " and resid 45 and name HN )) 3.000 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.485 ppm2 8.204 CV 1 ASSI { 89} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.900 1.100 1.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.487 ppm2 4.981 CV 1 ASSI { 90} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.484 ppm2 4.523 CV 1 ASSI { 93} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.485 ppm2 2.376 CV 1 ASSI { 94} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) 3.500 1.500 1.500 peak 94 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.484 ppm2 1.714 CV 1 ASSI { 95} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HD1%) 2.500 2.500 3.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.484 ppm2 0.833 CV 1 ASSI { 98} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG12)) 3.800 1.800 1.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.575 ppm2 0.481 CV 1 ASSI { 101} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.567 ppm2 5.550 CV 1 ASSI { 102} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.900 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.565 ppm2 1.829 CV 1 ASSI { 103} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.000 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.566 ppm2 1.465 CV 1 ASSI { 107} (( segid " " and resid 31 and name HN )) ( segid " " and resid 25 and name HG2%) 3.000 1.100 1.100 peak 107 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.564 ppm2 0.873 CV 1 ASSI { 110} (( segid " " and resid 88 and name HN )) (( segid " " and resid 89 and name HN )) 2.900 1.100 1.100 peak 110 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.753 ppm2 8.120 CV 1 ASSI { 111} (( segid " " and resid 88 and name HN )) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.754 ppm2 4.987 CV 1 ASSI { 112} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.755 ppm2 4.177 CV 1 ASSI { 114} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB )) 3.500 1.500 1.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.756 ppm2 1.861 CV 1 ASSI { 115} (( segid " " and resid 88 and name HN )) ( segid " " and resid 87 and name HG2%) 3.200 1.200 1.200 peak 115 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.753 ppm2 0.825 CV 1 ASSI { 116} (( segid " " and resid 88 and name HN )) ( segid " " and resid 87 and name HG1%) 3.300 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.756 ppm2 0.634 CV 1 ASSI { 117} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA )) 3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.752 ppm2 4.406 CV 1 ASSI { 118} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.100 1.200 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.752 ppm2 2.547 CV 1 ASSI { 129} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HN )) 3.500 1.600 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.324 ppm2 8.018 CV 1 ASSI { 130} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD% ) 3.000 1.200 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.323 ppm2 6.937 CV 1 ASSI { 133} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB )) 3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.324 ppm2 1.564 CV 1 ASSI { 134} (( segid " " and resid 77 and name HN )) ( segid " " and resid 45 and name HG2%) 3.500 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.323 ppm2 0.994 CV 1 ASSI { 138} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.900 1.000 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.322 ppm2 2.686 CV 1 OR { 138} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 139} (( segid " " and resid 77 and name HN )) (( segid " " and resid 46 and name HB )) 2.900 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.321 ppm2 1.818 CV 1 ASSI { 140} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HG11)) 3.800 1.800 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.321 ppm2 1.383 CV 1 ASSI { 145} (( segid " " and resid 26 and name HN )) (( segid " " and resid 32 and name HN )) 3.600 1.600 1.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.501 ppm2 9.670 CV 1 ASSI { 148} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD1%) 4.400 2.400 1.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.500 ppm2 0.748 CV 1 ASSI { 150} (( segid " " and resid 22 and name HN )) (( segid " " and resid 34 and name HN )) 2.900 1.000 1.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.247 ppm2 8.616 CV 1 ASSI { 151} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.900 1.000 1.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.245 ppm2 4.968 CV 1 ASSI { 152} (( segid " " and resid 22 and name HN )) (( segid " " and resid 35 and name HA )) 3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.246 ppm2 4.690 CV 1 ASSI { 153} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB )) 3.200 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.245 ppm2 1.889 CV 1 ASSI { 154} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.600 1.600 1.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.244 ppm2 1.760 CV 1 OR { 154} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) ASSI { 156} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG11)) 3.200 1.300 1.300 peak 156 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.245 ppm2 1.193 CV 1 ASSI { 159} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HN )) 3.500 1.600 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.375 ppm2 9.112 CV 1 ASSI { 163} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.372 ppm2 7.907 CV 1 ASSI { 164} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.900 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.375 ppm2 4.891 CV 1 ASSI { 165} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.900 1.100 1.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.374 ppm2 4.760 CV 1 ASSI { 166} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.200 1.300 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.371 ppm2 2.465 CV 1 OR { 166} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) ASSI { 167} (( segid " " and resid 85 and name HN )) (( segid " " and resid 25 and name HB )) 2.500 2.500 3.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.374 ppm2 1.584 CV 1 ASSI { 169} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HD2%) 3.300 1.400 1.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.376 ppm2 0.710 CV 1 OR { 169} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HD1%) ASSI { 173} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.014 ppm2 4.512 CV 1 ASSI { 175} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB )) 2.800 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.012 ppm2 1.563 CV 1 ASSI { 176} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG11)) 3.100 1.200 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.014 ppm2 1.399 CV 1 OR { 176} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 178} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB )) 3.500 1.500 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.010 ppm2 1.145 CV 1 ASSI { 180} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD1%) 3.300 1.300 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.011 ppm2 0.756 CV 1 OR { 180} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 181} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 3.400 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.503 ppm2 8.891 CV 1 ASSI { 182} (( segid " " and resid 26 and name HN )) ( segid " " and resid 24 and name HD2%) 3.100 1.200 1.200 peak 182 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.502 ppm2 0.029 CV 1 OR { 182} (( segid " " and resid 26 and name HN )) ( segid " " and resid 24 and name HD1%) ASSI { 183} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HN )) 2.800 1.000 1.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.501 ppm2 6.918 CV 1 ASSI { 184} (( segid " " and resid 26 and name HN )) (( segid " " and resid 31 and name HA )) 3.600 1.700 1.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.499 ppm2 5.554 CV 1 ASSI { 187} (( segid " " and resid 26 and name HN )) (( segid " " and resid 29 and name HA )) 3.600 1.600 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.495 ppm2 4.177 CV 1 ASSI { 188} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 2.700 0.900 0.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.500 ppm2 4.023 CV 1 ASSI { 189} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG11)) 4.100 2.100 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.497 ppm2 0.630 CV 1 ASSI { 190} (( segid " " and resid 22 and name HN )) (( segid " " and resid 36 and name HN )) 3.100 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.241 ppm2 9.094 CV 1 ASSI { 192} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 3.600 1.600 1.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.111 ppm2 8.717 CV 1 ASSI { 194} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.105 ppm2 9.807 CV 1 ASSI { 199} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.900 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.106 ppm2 1.629 CV 1 OR { 199} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) OR { 199} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 200} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG2 )) 3.700 1.700 1.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.107 ppm2 1.313 CV 1 ASSI { 202} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HG1%) 3.300 1.400 1.400 peak 202 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.106 ppm2 0.832 CV 1 ASSI { 206} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.800 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.729 ppm2 4.176 CV 1 ASSI { 210} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB )) 2.900 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.727 ppm2 1.855 CV 1 ASSI { 211} (( segid " " and resid 87 and name HN )) ( segid " " and resid 87 and name HG2%) 3.300 1.400 1.400 peak 211 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.726 ppm2 0.835 CV 1 ASSI { 212} (( segid " " and resid 87 and name HN )) ( segid " " and resid 87 and name HG1%) 3.000 1.100 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.727 ppm2 0.620 CV 1 ASSI { 213} (( segid " " and resid 32 and name HN )) (( segid " " and resid 25 and name HG11)) 3.700 1.700 1.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.689 ppm2 0.662 CV 1 ASSI { 216} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HD% ) 3.100 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.686 ppm2 6.964 CV 1 ASSI { 219} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.900 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.685 ppm2 5.832 CV 1 ASSI { 221} (( segid " " and resid 32 and name HN )) (( segid " " and resid 25 and name HA )) 3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.684 ppm2 5.143 CV 1 ASSI { 222} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.400 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.687 ppm2 2.812 CV 1 ASSI { 223} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.686 ppm2 2.565 CV 1 ASSI { 224} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.500 1.500 1.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.683 ppm2 1.832 CV 1 ASSI { 225} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG1 )) 3.400 1.400 1.400 peak 225 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.686 ppm2 1.332 CV 1 OR { 225} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG2 )) ASSI { 226} (( segid " " and resid 32 and name HN )) ( segid " " and resid 51 and name HG2%) 3.500 3.500 2.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.685 ppm2 1.152 CV 1 ASSI { 228} (( segid " " and resid 32 and name HN )) ( segid " " and resid 24 and name HD2%) 3.100 3.100 2.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.687 ppm2 0.040 CV 1 ASSI { 229} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.900 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.137 ppm2 7.548 CV 1 ASSI { 230} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG1 )) 3.200 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.132 ppm2 2.255 CV 1 OR { 230} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 232} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.120 ppm2 4.662 CV 1 ASSI { 233} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.900 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.125 ppm2 2.979 CV 1 ASSI { 234} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.116 ppm2 3.809 CV 1 ASSI { 237} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 3.100 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.407 ppm2 7.529 CV 1 ASSI { 238} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HD% ) 3.200 1.300 1.300 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.404 ppm2 7.127 CV 1 ASSI { 243} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 3.000 1.100 1.100 peak 243 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.408 ppm2 4.359 CV 1 ASSI { 244} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.400 1.400 1.400 peak 244 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.408 ppm2 3.634 CV 1 ASSI { 246} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.900 1.100 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.407 ppm2 2.508 CV 1 ASSI { 248} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.400 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.403 ppm2 3.815 CV 1 ASSI { 250} (( segid " " and resid 25 and name HN )) (( segid " " and resid 86 and name HN )) 3.800 1.800 1.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.891 ppm2 9.068 CV 1 ASSI { 252} (( segid " " and resid 25 and name HN )) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.894 ppm2 7.927 CV 1 ASSI { 255} (( segid " " and resid 25 and name HN )) (( segid " " and resid 85 and name HA )) 3.200 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.891 ppm2 4.898 CV 1 ASSI { 256} (( segid " " and resid 25 and name HN )) (( segid " " and resid 84 and name HA )) 3.300 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.897 ppm2 4.757 CV 1 ASSI { 257} (( segid " " and resid 25 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 257 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.892 ppm2 2.450 CV 1 OR { 257} (( segid " " and resid 25 and name HN )) (( segid " " and resid 84 and name HB1 )) ASSI { 258} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG )) 2.800 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.895 ppm2 1.706 CV 1 ASSI { 259} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB )) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.894 ppm2 1.561 CV 1 ASSI { 260} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 3.600 1.600 1.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.893 ppm2 1.349 CV 1 OR { 260} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 261} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HG2%) 3.600 1.700 1.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.893 ppm2 0.883 CV 1 ASSI { 262} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD1%) 3.700 1.700 1.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.895 ppm2 0.742 CV 1 ASSI { 263} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG11)) 2.600 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.896 ppm2 0.627 CV 1 ASSI { 264} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HD2%) 3.500 1.500 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.893 ppm2 0.036 CV 1 ASSI { 265} (( segid " " and resid 25 and name HN )) (( segid " " and resid 83 and name HN )) 3.300 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.889 ppm2 9.155 CV 1 ASSI { 266} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HG2%) 3.000 1.100 1.100 peak 266 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.484 ppm2 0.975 CV 1 ASSI { 268} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 2.800 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.482 ppm2 8.319 CV 1 ASSI { 269} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) 3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.482 ppm2 7.744 CV 1 ASSI { 271} (( segid " " and resid 62 and name HN )) (( segid " " and resid 56 and name HA )) 2.500 2.500 3.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.483 ppm2 4.782 CV 1 ASSI { 272} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 3.000 1.100 1.100 peak 272 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.483 ppm2 4.537 CV 1 ASSI { 273} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB )) 3.200 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.482 ppm2 4.307 CV 1 ASSI { 277} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 3.500 1.500 1.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.700 ppm2 9.253 CV 1 ASSI { 279} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 3.600 1.600 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.701 ppm2 8.315 CV 1 ASSI { 280} (( segid " " and resid 21 and name HN )) (( segid " " and resid 89 and name HN )) 3.100 3.100 2.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.695 ppm2 8.118 CV 1 ASSI { 281} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HA )) 2.900 1.000 1.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.700 ppm2 4.692 CV 1 ASSI { 283} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.600 1.600 1.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.700 ppm2 3.827 CV 1 OR { 283} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 285} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG1 )) 3.000 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.697 ppm2 1.407 CV 1 OR { 285} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 288} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 2.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.439 ppm2 8.642 CV 1 ASSI { 290} (( segid " " and resid 59 and name HN )) (( segid " " and resid 61 and name HN )) 3.000 1.100 1.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.437 ppm2 7.726 CV 1 ASSI { 291} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 291 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.438 ppm2 4.761 CV 1 ASSI { 292} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 2.900 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.439 ppm2 4.366 CV 1 ASSI { 293} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HD1 )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.439 ppm2 3.869 CV 1 ASSI { 296} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB1 )) 3.000 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.439 ppm2 2.887 CV 1 ASSI { 297} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.400 1.400 1.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.438 ppm2 2.599 CV 1 ASSI { 298} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.900 1.000 1.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.439 ppm2 2.326 CV 1 ASSI { 299} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG1 )) 2.900 1.100 1.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.438 ppm2 1.805 CV 1 ASSI { 300} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 300 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.439 ppm2 1.620 CV 1 ASSI { 302} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.900 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.412 ppm2 8.730 CV 1 ASSI { 304} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 2.900 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.412 ppm2 7.898 CV 1 ASSI { 305} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 3.200 1.200 1.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.410 ppm2 7.729 CV 1 ASSI { 306} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) 3.300 1.400 1.400 peak 306 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.410 ppm2 4.972 CV 1 ASSI { 308} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG1 )) 3.300 1.300 1.300 peak 308 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.413 ppm2 2.236 CV 1 OR { 308} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HG2 )) ASSI { 317} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.600 1.700 1.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.463 ppm2 2.142 CV 1 ASSI { 318} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG2 )) 3.500 3.500 2.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.463 ppm2 1.972 CV 1 ASSI { 320} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG12)) 2.900 1.100 1.100 peak 320 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.463 ppm2 1.489 CV 1 OR { 320} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HG11)) ASSI { 322} (( segid " " and resid 65 and name HN )) ( segid " " and resid 61 and name HG2%) 3.200 1.300 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.462 ppm2 0.989 CV 1 ASSI { 323} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HD1%) 3.600 1.600 1.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.462 ppm2 0.797 CV 1 ASSI { 324} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HD1%) 3.400 1.400 1.400 peak 324 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.393 ppm2 0.813 CV 1 ASSI { 327} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG12)) 3.500 1.500 1.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.395 ppm2 0.973 CV 1 ASSI { 328} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 3.400 1.400 1.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.393 ppm2 3.961 CV 1 ASSI { 333} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 3.000 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.292 ppm2 4.352 CV 1 ASSI { 334} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HD1 )) 2.900 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.290 ppm2 3.809 CV 1 ASSI { 335} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HD2 )) 3.700 1.700 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.293 ppm2 3.616 CV 1 ASSI { 336} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.900 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.292 ppm2 2.231 CV 1 ASSI { 339} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB1 )) 3.400 1.400 1.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.291 ppm2 1.704 CV 1 OR { 339} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HD1 )) ASSI { 341} (( segid " " and resid 49 and name HN )) ( segid " " and resid 48 and name HD1%) 3.200 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.519 ppm2 0.682 CV 1 ASSI { 343} (( segid " " and resid 49 and name HN )) (( segid " " and resid 35 and name HN )) 2.900 2.900 3.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.510 ppm2 9.294 CV 1 ASSI { 344} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.513 ppm2 5.431 CV 1 ASSI { 345} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.800 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.511 ppm2 5.225 CV 1 ASSI { 346} (( segid " " and resid 49 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.200 1.300 1.300 peak 346 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.517 ppm2 3.035 CV 1 ASSI { 348} (( segid " " and resid 49 and name HN )) ( segid " " and resid 51 and name HG1%) 3.400 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.512 ppm2 0.838 CV 1 ASSI { 350} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG )) 3.200 1.300 1.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.510 ppm2 1.665 CV 1 OR { 350} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) ASSI { 353} (( segid " " and resid 48 and name HN )) (( segid " " and resid 75 and name HN )) 2.900 1.100 1.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.886 ppm2 8.663 CV 1 ASSI { 355} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB1 )) 2.900 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.886 ppm2 1.660 CV 1 OR { 355} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG )) ASSI { 359} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 3.600 1.600 1.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.878 ppm2 9.502 CV 1 ASSI { 361} (( segid " " and resid 48 and name HN )) (( segid " " and resid 75 and name HG11)) 3.200 3.200 2.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.880 ppm2 1.134 CV 1 OR { 361} (( segid " " and resid 48 and name HN )) (( segid " " and resid 75 and name HG12)) OR { 361} (( segid " " and resid 48 and name HN )) (( segid " " and resid 75 and name HB )) ASSI { 362} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.647 ppm2 4.762 CV 1 ASSI { 363} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB1 )) 3.200 1.300 1.300 peak 363 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.647 ppm2 2.888 CV 1 ASSI { 364} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HG1 )) 3.600 1.600 1.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.647 ppm2 1.805 CV 1 ASSI { 365} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 3.000 1.100 1.100 peak 365 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.645 ppm2 9.092 CV 1 ASSI { 368} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.200 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.643 ppm2 2.599 CV 1 ASSI { 369} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG2 )) 3.500 1.500 1.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.645 ppm2 2.198 CV 1 ASSI { 372} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.300 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.309 ppm2 3.075 CV 1 OR { 372} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB1 )) ASSI { 375} (( segid " " and resid 48 and name HN )) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.886 ppm2 4.513 CV 1 ASSI { 376} (( segid " " and resid 48 and name HN )) (( segid " " and resid 77 and name HN )) 3.600 1.600 1.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.880 ppm2 9.329 CV 1 ASSI { 377} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HD1%) 3.300 1.300 1.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.308 ppm2 0.708 CV 1 OR { 377} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HD2%) ASSI { 378} (( segid " " and resid 75 and name HN )) (( segid " " and resid 48 and name HB1 )) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.660 ppm2 1.662 CV 1 ASSI { 379} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 2.800 1.000 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.045 ppm2 8.887 CV 1 ASSI { 380} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 3.500 1.500 1.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.040 ppm2 9.327 CV 1 ASSI { 383} (( segid " " and resid 78 and name HN )) (( segid " " and resid 81 and name HN )) 3.400 1.500 1.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.044 ppm2 8.030 CV 1 ASSI { 384} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HD% ) 3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.043 ppm2 6.930 CV 1 ASSI { 387} (( segid " " and resid 78 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.200 1.300 1.300 peak 387 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.043 ppm2 2.920 CV 1 ASSI { 388} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.000 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.043 ppm2 2.705 CV 1 OR { 388} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 389} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB1 )) 3.600 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.044 ppm2 1.989 CV 1 ASSI { 390} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.500 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.044 ppm2 1.756 CV 1 ASSI { 391} (( segid " " and resid 78 and name HN )) ( segid " " and resid 45 and name HG2%) 3.800 1.800 1.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.043 ppm2 1.015 CV 1 ASSI { 392} (( segid " " and resid 78 and name HN )) ( segid " " and resid 76 and name HG2%) 2.500 2.500 3.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.042 ppm2 0.730 CV 1 ASSI { 393} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 3.400 1.500 1.500 peak 393 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.664 ppm2 8.038 CV 1 ASSI { 394} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.800 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.663 ppm2 2.753 CV 1 ASSI { 395} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.000 3.000 3.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.663 ppm2 2.721 CV 1 ASSI { 397} (( segid " " and resid 75 and name HN )) ( segid " " and resid 48 and name HD2%) 3.000 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.665 ppm2 0.665 CV 1 OR { 397} (( segid " " and resid 75 and name HN )) ( segid " " and resid 48 and name HD1%) ASSI { 398} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HG2%) 3.000 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.664 ppm2 -0.176 CV 1 ASSI { 401} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 3.400 1.500 1.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.661 ppm2 7.542 CV 1 ASSI { 402} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD% ) 3.200 1.300 1.300 peak 402 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.660 ppm2 6.737 CV 1 ASSI { 404} (( segid " " and resid 75 and name HN )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.662 ppm2 5.220 CV 1 ASSI { 405} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.661 ppm2 3.928 CV 1 ASSI { 406} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB )) 3.200 1.300 1.300 peak 406 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.662 ppm2 1.145 CV 1 ASSI { 407} (( segid " " and resid 75 and name HN )) ( segid " " and resid 51 and name HG1%) 2.500 2.500 3.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.662 ppm2 0.827 CV 1 ASSI { 414} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.900 1.000 1.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.313 ppm2 1.760 CV 1 ASSI { 415} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.313 ppm2 1.562 CV 1 ASSI { 416} (( segid " " and resid 63 and name HN )) ( segid " " and resid 61 and name HG2%) 3.200 1.300 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.313 ppm2 0.968 CV 1 ASSI { 419} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) 3.300 3.300 2.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.312 ppm2 4.563 CV 1 ASSI { 420} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB )) 3.400 3.400 2.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.311 ppm2 4.304 CV 1 ASSI { 421} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HD2 )) 2.300 0.600 0.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.310 ppm2 3.602 CV 1 ASSI { 422} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HG2 )) 4.100 2.100 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.304 ppm2 1.905 CV 1 ASSI { 424} (( segid " " and resid 94 and name HN )) (( segid " " and resid 92 and name HA )) 3.300 1.300 1.300 peak 424 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.234 ppm2 4.580 CV 1 ASSI { 426} (( segid " " and resid 94 and name HN )) (( segid " " and resid 95 and name HA )) 3.400 1.500 1.500 peak 426 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.235 ppm2 4.264 CV 1 ASSI { 428} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB1 )) 3.700 1.700 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.233 ppm2 2.271 CV 1 ASSI { 429} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HG1 )) 3.800 1.800 1.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.232 ppm2 2.007 CV 1 ASSI { 431} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HG11)) 3.000 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.234 ppm2 1.507 CV 1 ASSI { 432} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HG2%) 3.400 1.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.234 ppm2 1.197 CV 1 ASSI { 433} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HD1%) 3.800 1.800 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.234 ppm2 0.911 CV 1 ASSI { 434} (( segid " " and resid 89 and name HN )) (( segid " " and resid 87 and name HA )) 3.700 3.700 2.300 peak 434 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.125 ppm2 4.216 CV 1 ASSI { 436} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.900 1.100 1.100 peak 436 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.111 ppm2 4.687 CV 1 ASSI { 438} (( segid " " and resid 89 and name HN )) (( segid " " and resid 91 and name HD2 )) 3.300 1.400 1.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.113 ppm2 3.783 CV 1 ASSI { 439} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB1 )) 3.100 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.111 ppm2 2.921 CV 1 ASSI { 440} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) 3.300 1.400 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.114 ppm2 2.545 CV 1 ASSI { 441} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG1 )) 3.100 1.200 1.200 peak 441 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.113 ppm2 2.299 CV 1 OR { 441} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG2 )) ASSI { 442} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB2 )) 3.400 1.400 1.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.113 ppm2 2.082 CV 1 ASSI { 443} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB1 )) 3.000 1.100 1.100 peak 443 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.111 ppm2 1.892 CV 1 ASSI { 444} (( segid " " and resid 89 and name HN )) ( segid " " and resid 87 and name HG2%) 3.200 1.300 1.300 peak 444 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.113 ppm2 0.830 CV 1 ASSI { 448} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.748 ppm2 8.518 CV 1 ASSI { 449} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HN )) 2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.749 ppm2 8.186 CV 1 ASSI { 451} (( segid " " and resid 28 and name HN )) (( segid " " and resid 30 and name HN )) 3.000 1.100 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.746 ppm2 6.913 CV 1 ASSI { 453} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 3.000 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.749 ppm2 4.484 CV 1 ASSI { 454} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HA )) 3.800 1.800 1.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.742 ppm2 4.192 CV 1 ASSI { 455} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.749 ppm2 1.986 CV 1 OR { 455} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 456} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HD1 )) 2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.746 ppm2 1.528 CV 1 OR { 456} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) ASSI { 459} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.900 1.000 1.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.904 ppm2 4.192 CV 1 ASSI { 460} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.905 ppm2 3.701 CV 1 ASSI { 461} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HG2%) 3.800 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.905 ppm2 0.228 CV 1 ASSI { 462} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 2.900 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.902 ppm2 8.192 CV 1 ASSI { 468} (( segid " " and resid 30 and name HN )) (( segid " " and resid 83 and name HG2 )) 2.500 2.500 3.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.903 ppm2 1.222 CV 1 ASSI { 469} (( segid " " and resid 30 and name HN )) ( segid " " and resid 25 and name HG2%) 2.900 1.000 1.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.901 ppm2 0.875 CV 1 ASSI { 470} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG12)) 2.800 1.000 1.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.901 ppm2 0.488 CV 1 ASSI { 474} (( segid " " and resid 35 and name HN )) (( segid " " and resid 52 and name HN )) 3.300 1.400 1.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.302 ppm2 9.136 CV 1 ASSI { 475} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) 3.400 1.400 1.400 peak 475 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.306 ppm2 8.609 CV 1 ASSI { 476} (( segid " " and resid 35 and name HN )) (( segid " " and resid 48 and name HA )) 3.200 3.200 2.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.299 ppm2 5.440 CV 1 ASSI { 477} (( segid " " and resid 35 and name HN )) (( segid " " and resid 51 and name HA )) 2.600 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.303 ppm2 4.922 CV 1 ASSI { 480} (( segid " " and resid 35 and name HN )) (( segid " " and resid 51 and name HB )) 3.600 3.600 2.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.299 ppm2 2.090 CV 1 ASSI { 482} (( segid " " and resid 35 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.600 3.600 2.400 peak 482 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.299 ppm2 1.580 CV 1 OR { 482} (( segid " " and resid 35 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 483} (( segid " " and resid 35 and name HN )) (( segid " " and resid 50 and name HG1 )) 3.400 3.400 2.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.299 ppm2 1.414 CV 1 ASSI { 484} (( segid " " and resid 35 and name HN )) ( segid " " and resid 49 and name HB% ) 3.200 3.200 2.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.301 ppm2 1.272 CV 1 ASSI { 485} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD1%) 2.800 1.000 1.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.301 ppm2 0.827 CV 1 OR { 485} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HG2%) ASSI { 486} (( segid " " and resid 35 and name HN )) ( segid " " and resid 48 and name HD1%) 3.200 1.300 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.299 ppm2 0.683 CV 1 OR { 486} (( segid " " and resid 35 and name HN )) ( segid " " and resid 48 and name HD2%) ASSI { 489} (( segid " " and resid 46 and name HN )) (( segid " " and resid 77 and name HB2 )) 3.000 1.100 1.100 peak 489 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.928 ppm2 2.714 CV 1 OR { 489} (( segid " " and resid 46 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 490} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HG2%) 3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.929 ppm2 1.012 CV 1 ASSI { 492} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.800 1.000 1.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.933 ppm2 4.524 CV 1 ASSI { 493} (( segid " " and resid 46 and name HN )) (( segid " " and resid 77 and name HN )) 2.800 1.000 1.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.931 ppm2 9.329 CV 1 ASSI { 496} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 2.800 1.000 1.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.929 ppm2 1.818 CV 1 ASSI { 497} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) 3.100 1.200 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.930 ppm2 0.732 CV 1 OR { 497} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG1%) ASSI { 503} (( segid " " and resid 86 and name HN )) (( segid " " and resid 24 and name HA )) 3.100 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.096 ppm2 5.136 CV 1 ASSI { 504} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 2.800 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.097 ppm2 4.916 CV 1 ASSI { 505} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 2.900 1.100 1.100 peak 505 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.097 ppm2 4.669 CV 1 ASSI { 511} (( segid " " and resid 86 and name HN )) ( segid " " and resid 85 and name HD2%) 2.500 2.500 3.500 peak 511 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.097 ppm2 0.709 CV 1 ASSI { 516} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.027 ppm2 7.406 CV 1 ASSI { 519} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD1%) 3.900 1.900 1.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.029 ppm2 0.629 CV 1 ASSI { 521} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.298 ppm2 8.449 CV 1 ASSI { 523} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.900 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.298 ppm2 8.052 CV 1 ASSI { 526} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HG1 )) 3.200 1.300 1.300 peak 526 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.297 ppm2 2.203 CV 1 OR { 526} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HG2 )) ASSI { 527} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HG1 )) 3.800 1.800 1.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.297 ppm2 2.010 CV 1 ASSI { 528} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.400 3.400 2.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.298 ppm2 1.887 CV 1 ASSI { 529} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) 3.500 1.500 1.500 peak 529 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.301 ppm2 1.458 CV 1 OR { 529} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) ASSI { 530} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HD2%) 2.500 2.500 3.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.295 ppm2 0.710 CV 1 ASSI { 537} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.500 3.500 2.500 peak 537 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.072 ppm2 4.650 CV 1 ASSI { 539} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 1.100 1.100 peak 539 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.073 ppm2 4.123 CV 1 ASSI { 540} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.200 1.300 1.300 peak 540 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.068 ppm2 2.667 CV 1 ASSI { 541} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.300 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.073 ppm2 2.508 CV 1 ASSI { 542} (( segid " " and resid 70 and name HN )) (( segid " " and resid 50 and name HB1 )) 3.000 3.000 3.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.074 ppm2 2.111 CV 1 ASSI { 544} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.073 ppm2 1.639 CV 1 OR { 544} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 545} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.400 3.400 2.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.041 ppm2 2.685 CV 1 OR { 545} (( segid " " and resid 81 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 547} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HD1 )) 2.900 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.027 ppm2 3.816 CV 1 OR { 547} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HD2 )) ASSI { 548} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 2.500 2.500 3.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.027 ppm2 4.642 CV 1 ASSI { 555} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA2 )) 3.000 1.100 1.100 peak 555 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.403 ppm2 3.967 CV 1 ASSI { 556} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.500 1.500 1.500 peak 556 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.402 ppm2 3.182 CV 1 ASSI { 557} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.200 1.300 1.300 peak 557 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.400 ppm2 2.917 CV 1 ASSI { 562} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 3.100 1.200 1.200 peak 562 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.397 ppm2 4.935 CV 1 ASSI { 563} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 563 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.396 ppm2 4.217 CV 1 ASSI { 564} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.397 ppm2 3.764 CV 1 ASSI { 565} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA1 )) 3.600 1.600 1.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.397 ppm2 3.605 CV 1 ASSI { 566} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG11)) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.398 ppm2 1.875 CV 1 OR { 566} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB )) ASSI { 567} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HG2%) 3.100 1.200 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.399 ppm2 0.607 CV 1 OR { 567} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 572} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HN )) 3.200 1.300 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.404 ppm2 8.877 CV 1 ASSI { 573} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HN )) 3.000 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.716 ppm2 9.491 CV 1 ASSI { 576} (( segid " " and resid 51 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.400 1.500 1.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.717 ppm2 2.695 CV 1 ASSI { 577} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB )) 2.800 1.000 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.716 ppm2 2.058 CV 1 ASSI { 579} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG2%) 3.500 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.713 ppm2 1.141 CV 1 ASSI { 580} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG1%) 3.000 1.100 1.100 peak 580 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.714 ppm2 0.828 CV 1 ASSI { 581} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.710 ppm2 8.067 CV 1 ASSI { 582} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 3.600 1.600 1.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.517 ppm2 9.508 CV 1 ASSI { 584} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HA )) 3.600 3.600 2.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.517 ppm2 4.180 CV 1 ASSI { 585} (( segid " " and resid 27 and name HN )) (( segid " " and resid 81 and name HB1 )) 3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.517 ppm2 3.185 CV 1 ASSI { 593} (( segid " " and resid 27 and name HN )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.515 ppm2 3.763 CV 1 ASSI { 597} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD1 )) 3.100 1.200 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.515 ppm2 1.499 CV 1 OR { 597} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG2 )) ASSI { 598} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG1 )) 3.300 1.300 1.300 peak 598 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.514 ppm2 1.305 CV 1 ASSI { 599} (( segid " " and resid 27 and name HN )) ( segid " " and resid 24 and name HD2%) 3.700 1.700 1.700 peak 599 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.513 ppm2 0.036 CV 1 OR { 599} (( segid " " and resid 27 and name HN )) ( segid " " and resid 24 and name HD1%) ASSI { 602} (( segid " " and resid 68 and name HN )) (( segid " " and resid 16 and name HB1 )) 2.900 2.900 3.100 peak 602 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.552 ppm2 2.264 CV 1 ASSI { 606} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.800 1.800 1.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.544 ppm2 2.111 CV 1 ASSI { 607} (( segid " " and resid 68 and name HN )) (( segid " " and resid 65 and name HB )) 2.500 2.500 3.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.541 ppm2 1.722 CV 1 ASSI { 608} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.900 1.100 1.100 peak 608 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.537 ppm2 4.666 CV 1 ASSI { 613} (( segid " " and resid 57 and name HN )) (( segid " " and resid 59 and name HN )) 3.100 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.094 ppm2 8.465 CV 1 ASSI { 614} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.900 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.088 ppm2 4.800 CV 1 ASSI { 615} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB )) 3.100 1.200 1.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.087 ppm2 4.380 CV 1 ASSI { 617} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG2 )) 3.000 1.100 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.087 ppm2 2.196 CV 1 ASSI { 618} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HG2%) 3.400 1.400 1.400 peak 618 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.083 ppm2 1.214 CV 1 ASSI { 620} (( segid " " and resid 57 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.100 1.200 1.200 peak 620 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.091 ppm2 3.321 CV 1 ASSI { 622} (( segid " " and resid 57 and name HN )) (( segid " " and resid 14 and name HA1 )) 3.100 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.086 ppm2 4.214 CV 1 ASSI { 624} (( segid " " and resid 33 and name HN )) (( segid " " and resid 24 and name HN )) 3.300 3.300 2.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.033 ppm2 9.420 CV 1 ASSI { 627} (( segid " " and resid 33 and name HN )) ( segid " " and resid 32 and name HD% ) 3.400 1.500 1.500 peak 627 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.035 ppm2 6.972 CV 1 ASSI { 629} (( segid " " and resid 33 and name HN )) (( segid " " and resid 51 and name HA )) 3.400 3.400 2.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.031 ppm2 4.919 CV 1 ASSI { 630} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.300 1.300 1.300 peak 630 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.033 ppm2 2.810 CV 1 ASSI { 631} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.700 1.700 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.034 ppm2 2.553 CV 1 ASSI { 632} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.100 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.034 ppm2 2.149 CV 1 OR { 632} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) ASSI { 634} (( segid " " and resid 33 and name HN )) ( segid " " and resid 51 and name HG2%) 3.000 1.100 1.100 peak 634 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.035 ppm2 1.144 CV 1 ASSI { 639} (( segid " " and resid 50 and name HN )) (( segid " " and resid 71 and name HB )) 3.200 1.300 1.300 peak 639 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.062 ppm2 3.811 CV 1 ASSI { 641} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB1 )) 3.200 1.300 1.300 peak 641 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.063 ppm2 2.081 CV 1 ASSI { 642} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.100 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.062 ppm2 1.663 CV 1 ASSI { 643} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG1 )) 3.100 1.200 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.061 ppm2 1.401 CV 1 ASSI { 645} (( segid " " and resid 50 and name HN )) ( segid " " and resid 51 and name HG1%) 3.600 1.600 1.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.061 ppm2 0.834 CV 1 ASSI { 646} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.053 ppm2 9.509 CV 1 ASSI { 647} (( segid " " and resid 50 and name HN )) (( segid " " and resid 74 and name HA )) 3.200 1.300 1.300 peak 647 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.056 ppm2 5.484 CV 1 ASSI { 649} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 649 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.219 ppm2 8.075 CV 1 ASSI { 651} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 3.000 1.100 1.100 peak 651 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.220 ppm2 4.595 CV 1 ASSI { 653} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB )) 3.000 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.222 ppm2 3.846 CV 1 ASSI { 654} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HG1 )) 3.400 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.221 ppm2 1.902 CV 1 OR { 654} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HG2 )) ASSI { 655} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) 3.200 1.300 1.300 peak 655 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.221 ppm2 1.623 CV 1 OR { 655} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) ASSI { 656} (( segid " " and resid 71 and name HN )) ( segid " " and resid 71 and name HG2%) 3.300 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.221 ppm2 0.928 CV 1 ASSI { 662} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.731 ppm2 4.978 CV 1 ASSI { 664} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.000 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.733 ppm2 4.299 CV 1 ASSI { 665} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB )) 3.000 1.100 1.100 peak 665 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.731 ppm2 4.122 CV 1 ASSI { 666} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.700 1.700 1.700 peak 666 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.729 ppm2 3.317 CV 1 ASSI { 667} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.900 1.900 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.732 ppm2 2.373 CV 1 ASSI { 668} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.900 1.900 1.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.734 ppm2 2.086 CV 1 OR { 668} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 669} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HG2%) 3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.731 ppm2 1.229 CV 1 ASSI { 670} (( segid " " and resid 41 and name HN )) ( segid " " and resid 39 and name HD1%) 2.500 2.500 3.500 peak 670 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.730 ppm2 0.834 CV 1 ASSI { 671} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.727 ppm2 7.893 CV 1 ASSI { 672} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 3.400 1.400 1.400 peak 672 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.642 ppm2 9.244 CV 1 ASSI { 673} (( segid " " and resid 23 and name HN )) (( segid " " and resid 86 and name HN )) 2.900 1.100 1.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.638 ppm2 9.110 CV 1 ASSI { 675} (( segid " " and resid 23 and name HN )) (( segid " " and resid 87 and name HA )) 3.200 1.300 1.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.641 ppm2 4.172 CV 1 ASSI { 677} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.800 1.000 1.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.636 ppm2 5.517 CV 1 ASSI { 678} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) 3.100 1.200 1.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.636 ppm2 3.619 CV 1 ASSI { 679} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.900 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.636 ppm2 3.477 CV 1 ASSI { 680} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB )) 2.900 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.637 ppm2 1.887 CV 1 ASSI { 681} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG12)) 3.200 1.300 1.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.635 ppm2 1.393 CV 1 ASSI { 682} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG11)) 2.800 1.000 1.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.631 ppm2 1.210 CV 1 ASSI { 685} (( segid " " and resid 20 and name HN )) (( segid " " and resid 36 and name HN )) 2.800 1.000 1.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.304 ppm2 9.056 CV 1 ASSI { 687} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) 2.900 1.100 1.100 peak 687 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.305 ppm2 3.854 CV 1 OR { 687} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) ASSI { 688} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA1 )) 2.800 1.000 1.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.305 ppm2 3.574 CV 1 ASSI { 690} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HG1 )) 3.500 3.500 2.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.309 ppm2 1.379 CV 1 OR { 690} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 692} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 3.600 1.600 1.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.303 ppm2 9.304 CV 1 ASSI { 693} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA2 )) 3.100 1.200 1.200 peak 693 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.301 ppm2 4.575 CV 1 ASSI { 694} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.900 1.000 1.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.303 ppm2 4.440 CV 1 ASSI { 695} (( segid " " and resid 20 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 695 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.303 ppm2 2.226 CV 1 ASSI { 696} (( segid " " and resid 20 and name HN )) (( segid " " and resid 35 and name HB )) 3.200 1.300 1.300 peak 696 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.286 ppm2 1.882 CV 1 ASSI { 697} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.100 1.200 1.200 peak 697 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.803 ppm2 3.837 CV 1 ASSI { 707} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG1 )) 2.900 1.000 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.801 ppm2 1.604 CV 1 OR { 707} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 722} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.900 1.000 1.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.918 ppm2 4.761 CV 1 ASSI { 723} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 3.100 1.200 1.200 peak 723 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.917 ppm2 4.324 CV 1 ASSI { 724} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HA )) 3.800 1.800 1.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.916 ppm2 3.771 CV 1 ASSI { 725} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.000 1.100 1.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.918 ppm2 2.452 CV 1 OR { 725} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) ASSI { 726} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HB )) 2.900 1.100 1.100 peak 726 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.916 ppm2 1.880 CV 1 ASSI { 728} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB1 )) 3.500 1.500 1.500 peak 728 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.918 ppm2 1.315 CV 1 OR { 728} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HG1 )) ASSI { 729} (( segid " " and resid 84 and name HN )) ( segid " " and resid 25 and name HG2%) 3.500 1.500 1.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.921 ppm2 0.888 CV 1 ASSI { 731} (( segid " " and resid 84 and name HN )) ( segid " " and resid 82 and name HG2%) 3.400 1.500 1.500 peak 731 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.918 ppm2 0.590 CV 1 ASSI { 732} (( segid " " and resid 84 and name HN )) ( segid " " and resid 24 and name HD1%) 3.200 1.300 1.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.917 ppm2 0.025 CV 1 ASSI { 733} (( segid " " and resid 84 and name HN )) (( segid " " and resid 24 and name HA )) 3.600 1.600 1.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.911 ppm2 5.165 CV 1 ASSI { 755} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.744 ppm2 2.298 CV 1 ASSI { 758} (( segid " " and resid 61 and name HN )) (( segid " " and resid 56 and name HN )) 3.300 3.300 2.700 peak 758 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.734 ppm2 7.897 CV 1 ASSI { 763} (( segid " " and resid 61 and name HN )) (( segid " " and resid 14 and name HA1 )) 3.200 3.200 2.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.735 ppm2 4.205 CV 1 ASSI { 765} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 3.400 1.500 1.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.736 ppm2 1.892 CV 1 ASSI { 766} (( segid " " and resid 61 and name HN )) ( segid " " and resid 56 and name HG2%) 3.100 1.200 1.200 peak 766 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.738 ppm2 1.234 CV 1 ASSI { 768} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HG1 )) 3.300 3.300 2.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.306 ppm2 1.377 CV 1 OR { 768} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 771} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA2 )) 3.000 1.100 1.100 peak 771 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.299 ppm2 4.570 CV 1 ASSI { 776} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.800 1.000 1.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.894 ppm2 4.777 CV 1 ASSI { 778} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA1 )) 3.000 1.100 1.100 peak 778 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.889 ppm2 4.077 CV 1 ASSI { 779} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG2%) 3.100 1.200 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.890 ppm2 1.179 CV 1 ASSI { 780} (( segid " " and resid 56 and name HN )) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 780 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.888 ppm2 8.210 CV 1 ASSI { 783} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA2 )) 2.900 1.000 1.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.888 ppm2 3.774 CV 1 ASSI { 785} (( segid " " and resid 56 and name HN )) ( segid " " and resid 65 and name HD1%) 3.300 3.300 2.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.888 ppm2 0.816 CV 1 ASSI { 788} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 2.900 1.000 1.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.730 ppm2 8.202 CV 1 ASSI { 789} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.700 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.728 ppm2 7.897 CV 1 ASSI { 791} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.731 ppm2 4.790 CV 1 ASSI { 793} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.300 1.400 1.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.728 ppm2 2.479 CV 1 ASSI { 794} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.700 1.700 1.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.730 ppm2 2.083 CV 1 ASSI { 795} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.500 1.600 1.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.719 ppm2 2.737 CV 1 ASSI { 800} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.891 ppm2 4.789 CV 1 ASSI { 801} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.200 1.300 1.300 peak 801 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.891 ppm2 4.155 CV 1 ASSI { 803} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.700 0.900 0.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.890 ppm2 2.464 CV 1 ASSI { 804} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG2 )) 3.500 1.500 1.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.892 ppm2 2.228 CV 1 OR { 804} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HG1 )) ASSI { 807} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 3.100 1.200 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.888 ppm2 8.188 CV 1 ASSI { 808} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) 3.400 1.500 1.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.887 ppm2 4.311 CV 1 ASSI { 813} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.900 1.100 1.100 peak 813 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.452 ppm2 8.201 CV 1 ASSI { 817} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.100 3.100 2.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.451 ppm2 1.943 CV 1 ASSI { 818} (( segid " " and resid 12 and name HN )) (( segid " " and resid 56 and name HA )) 3.400 3.400 2.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.451 ppm2 4.783 CV 1 ASSI { 826} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA1 )) 2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.287 ppm2 3.606 CV 1 ASSI { 829} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.900 1.000 1.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.542 ppm2 5.473 CV 1 ASSI { 830} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 830 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.540 ppm2 3.817 CV 1 ASSI { 831} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB1 )) 3.600 1.600 1.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.540 ppm2 2.976 CV 1 ASSI { 833} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG2 )) 3.600 1.600 1.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.539 ppm2 2.281 CV 1 OR { 833} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG1 )) ASSI { 834} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.100 1.200 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.541 ppm2 2.011 CV 1 OR { 834} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 835} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 3.100 1.200 1.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.285 ppm2 8.877 CV 1 ASSI { 837} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.800 1.000 1.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.286 ppm2 8.033 CV 1 ASSI { 839} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 3.000 1.100 1.100 peak 839 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.285 ppm2 4.220 CV 1 ASSI { 840} (( segid " " and resid 80 and name HN )) (( segid " " and resid 45 and name HB )) 2.500 2.500 3.500 peak 840 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.285 ppm2 4.009 CV 1 ASSI { 842} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB1 )) 2.800 1.000 1.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.288 ppm2 1.993 CV 1 ASSI { 843} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.200 1.300 1.300 peak 843 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.283 ppm2 1.769 CV 1 ASSI { 848} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HN )) 2.900 1.000 1.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.869 ppm2 8.028 CV 1 ASSI { 849} (( segid " " and resid 79 and name HN )) (( segid " " and resid 45 and name HA )) 3.300 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.871 ppm2 5.196 CV 1 ASSI { 850} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.900 1.100 1.100 peak 850 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.869 ppm2 4.639 CV 1 ASSI { 854} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB1 )) 3.200 1.300 1.300 peak 854 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.869 ppm2 1.990 CV 1 ASSI { 855} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.869 ppm2 1.754 CV 1 ASSI { 856} (( segid " " and resid 79 and name HN )) ( segid " " and resid 45 and name HG2%) 3.300 1.400 1.400 peak 856 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.869 ppm2 1.010 CV 1 ASSI { 857} (( segid " " and resid 79 and name HN )) ( segid " " and resid 46 and name HG2%) 3.400 1.500 1.500 peak 857 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.869 ppm2 0.690 CV 1 ASSI { 865} (( segid " " and resid 15 and name HN )) (( segid " " and resid 55 and name HN )) 3.100 1.200 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.685 ppm2 7.537 CV 1 ASSI { 867} (( segid " " and resid 15 and name HN )) (( segid " " and resid 56 and name HA )) 3.600 1.700 1.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.685 ppm2 4.804 CV 1 ASSI { 872} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA2 )) 2.900 1.100 1.100 peak 872 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.684 ppm2 3.309 CV 1 ASSI { 874} (( segid " " and resid 15 and name HN )) (( segid " " and resid 57 and name HG2 )) 3.300 1.400 1.400 peak 874 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.686 ppm2 2.155 CV 1 OR { 874} (( segid " " and resid 15 and name HN )) (( segid " " and resid 57 and name HB1 )) OR { 874} (( segid " " and resid 15 and name HN )) (( segid " " and resid 57 and name HB2 )) ASSI { 878} (( segid " " and resid 15 and name HN )) ( segid " " and resid 65 and name HG2%) 3.000 1.100 1.100 peak 878 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.686 ppm2 1.038 CV 1 ASSI { 881} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 3.600 1.600 1.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.192 ppm2 8.916 CV 1 ASSI { 885} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.191 ppm2 5.198 CV 1 ASSI { 888} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.191 ppm2 3.316 CV 1 ASSI { 889} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.192 ppm2 2.379 CV 1 ASSI { 891} (( segid " " and resid 45 and name HN )) ( segid " " and resid 46 and name HG2%) 3.400 1.400 1.400 peak 891 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.193 ppm2 0.730 CV 1 OR { 891} (( segid " " and resid 45 and name HN )) ( segid " " and resid 46 and name HG1%) ASSI { 893} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HA )) 3.300 3.300 2.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.180 ppm2 4.977 CV 1 ASSI { 900} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HN )) 2.500 2.500 3.500 peak 900 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.202 ppm2 8.052 CV 1 ASSI { 901} (( segid " " and resid 13 and name HN )) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.204 ppm2 4.780 CV 1 ASSI { 902} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA2 )) 3.000 1.100 1.100 peak 902 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.206 ppm2 4.035 CV 1 OR { 902} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA1 )) ASSI { 903} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.000 1.100 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.204 ppm2 4.316 CV 1 ASSI { 912} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.900 1.100 1.100 peak 912 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.187 ppm2 4.473 CV 1 ASSI { 917} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HG1 )) 3.400 1.400 1.400 peak 917 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.186 ppm2 2.003 CV 1 OR { 917} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HG2 )) ASSI { 918} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB )) 3.700 1.700 1.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.183 ppm2 1.578 CV 1 ASSI { 919} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HB% ) 3.400 1.400 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.187 ppm2 1.413 CV 1 ASSI { 920} (( segid " " and resid 29 and name HN )) (( segid " " and resid 83 and name HG1 )) 3.100 1.200 1.200 peak 920 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.186 ppm2 1.260 CV 1 OR { 920} (( segid " " and resid 29 and name HN )) (( segid " " and resid 83 and name HB1 )) ASSI { 921} (( segid " " and resid 29 and name HN )) ( segid " " and resid 25 and name HG2%) 3.400 1.500 1.500 peak 921 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.186 ppm2 0.886 CV 1 ASSI { 922} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HN )) 3.200 1.300 1.300 peak 922 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.180 ppm2 8.484 CV 1 ASSI { 924} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 3.400 1.400 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.654 ppm2 8.394 CV 1 ASSI { 928} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HD% ) 3.300 1.400 1.400 peak 928 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.656 ppm2 7.096 CV 1 ASSI { 930} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.654 ppm2 4.417 CV 1 ASSI { 931} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.900 1.900 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.653 ppm2 2.889 CV 1 ASSI { 934} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HG12)) 3.300 1.300 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.653 ppm2 0.966 CV 1 OR { 934} (( segid " " and resid 38 and name HN )) ( segid " " and resid 39 and name HG2%) ASSI { 936} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 936 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.652 ppm2 4.822 CV 1 ASSI { 937} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 2.900 1.100 1.100 peak 937 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.650 ppm2 3.959 CV 1 ASSI { 938} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 2.600 0.900 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.652 ppm2 3.043 CV 1 ASSI { 939} (( segid " " and resid 38 and name HN )) ( segid " " and resid 39 and name HD1%) 3.300 3.300 2.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.652 ppm2 0.841 CV 1 ASSI { 943} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.592 ppm2 9.072 CV 1 ASSI { 948} (( segid " " and resid 34 and name HN )) (( segid " " and resid 23 and name HA )) 3.600 1.600 1.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.593 ppm2 5.510 CV 1 ASSI { 949} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA1 )) 2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.597 ppm2 4.663 CV 1 ASSI { 950} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA2 )) 2.900 1.000 1.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.595 ppm2 3.794 CV 1 ASSI { 951} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG2 )) 3.400 1.500 1.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.596 ppm2 2.350 CV 1 OR { 951} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG1 )) ASSI { 952} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.500 1.500 1.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.593 ppm2 2.137 CV 1 OR { 952} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 954} (( segid " " and resid 34 and name HN )) (( segid " " and resid 21 and name HG2 )) 3.300 3.300 2.700 peak 954 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.595 ppm2 1.371 CV 1 OR { 954} (( segid " " and resid 34 and name HN )) (( segid " " and resid 21 and name HG1 )) ASSI { 955} (( segid " " and resid 34 and name HN )) ( segid " " and resid 51 and name HG2%) 3.200 1.300 1.300 peak 955 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.596 ppm2 1.183 CV 1 ASSI { 959} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HN )) 3.700 1.700 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.210 ppm2 8.479 CV 1 ASSI { 962} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HN )) 2.500 2.500 3.500 peak 962 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.209 ppm2 8.059 CV 1 ASSI { 964} (( segid " " and resid 14 and name HN )) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 964 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.211 ppm2 4.782 CV 1 ASSI { 966} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA1 )) 3.100 1.200 1.200 peak 966 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.212 ppm2 4.053 CV 1 OR { 966} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA2 )) ASSI { 972} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 2.500 2.500 3.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.515 ppm2 4.930 CV 1 ASSI { 973} (( segid " " and resid 55 and name HN )) (( segid " " and resid 14 and name HA1 )) 3.300 1.300 1.300 peak 973 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.516 ppm2 4.219 CV 1 ASSI { 974} (( segid " " and resid 55 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.300 1.300 1.300 peak 974 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.517 ppm2 3.311 CV 1 ASSI { 977} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA1 )) 3.000 1.200 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.516 ppm2 4.011 CV 1 ASSI { 978} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.500 2.500 3.500 peak 978 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.513 ppm2 3.643 CV 1 ASSI { 979} (( segid " " and resid 55 and name HN )) ( segid " " and resid 65 and name HG2%) 3.100 3.100 2.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.512 ppm2 1.038 CV 1 ASSI { 980} (( segid " " and resid 33 and name HN )) (( segid " " and resid 23 and name HA )) 3.400 1.400 1.400 peak 980 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.026 ppm2 5.518 CV 1 ASSI { 981} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 3.600 1.600 1.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.552 ppm2 9.699 CV 1 ASSI { 982} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB )) 3.000 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.295 ppm2 1.883 CV 1 ASSI { 984} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) 3.300 1.400 1.400 peak 984 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.744 ppm2 5.228 CV 1 ASSI { 985} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HA )) 2.500 2.500 3.500 peak 985 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.906 ppm2 4.035 CV 1 ASSI { 986} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HA )) 3.400 1.500 1.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 6.906 ppm2 4.476 CV 1 ASSI { 988} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 3.400 1.500 1.500 peak 988 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.024 ppm2 9.686 CV 1 ASSI { 989} (( segid " " and resid 36 and name HN )) (( segid " " and resid 51 and name HA )) 3.500 3.500 2.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.071 ppm2 4.915 CV 1 ASSI { 991} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) 3.500 1.500 1.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.190 ppm2 4.784 CV 1 ASSI { 992} (( segid " " and resid 47 and name HN )) (( segid " " and resid 38 and name HB )) 3.200 1.300 1.300 peak 992 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.867 ppm2 3.963 CV 1 ASSI { 994} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) 3.100 1.200 1.200 peak 994 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.702 ppm2 5.221 CV 1 ASSI { 995} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.715 ppm2 4.920 CV 1 ASSI { 996} (( segid " " and resid 35 and name HN )) (( segid " " and resid 50 and name HA )) 3.400 3.400 2.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.301 ppm2 3.638 CV 1 ASSI { 998} (( segid " " and resid 84 and name HN )) (( segid " " and resid 26 and name HA )) 3.600 1.600 1.600 peak 998 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.910 ppm2 5.225 CV 1 ASSI { 999} (( segid " " and resid 49 and name HN )) (( segid " " and resid 36 and name HA )) 3.100 1.200 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.500 ppm2 4.386 CV 1 ASSI { 1000} (( segid " " and resid 51 and name HN )) (( segid " " and resid 34 and name HA1 )) 3.600 1.600 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.706 ppm2 4.637 CV 1 ASSI { 4} (( segid " " and resid 45 and name HB )) ( segid " " and resid 76 and name HG2%) 2.600 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.992 ppm2 0.737 CV 1 OR { 4} (( segid " " and resid 45 and name HB )) ( segid " " and resid 46 and name HG2%) ASSI { 89} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.700 2.700 3.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.919 ppm2 4.252 CV 1 OR { 89} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 14 and name HA1 )) OR { 89} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HA1 )) ASSI { 99} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB1 )) 2.400 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.416 ppm2 2.262 CV 1 OR { 99} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) ASSI { 100} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.415 ppm2 1.914 CV 1 OR { 100} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) ASSI { 106} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB1 )) 2.600 0.800 0.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.348 ppm2 1.872 CV 1 OR { 106} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) OR { 106} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HG1 )) ASSI { 107} (( segid " " and resid 87 and name HA )) (( segid " " and resid 22 and name HB )) 2.300 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.176 ppm2 1.863 CV 1 OR { 107} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB )) ASSI { 119} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HN )) 2.400 0.700 0.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.173 ppm2 8.737 CV 1 OR { 119} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HN )) ASSI { 157} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 2.300 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.519 ppm2 8.879 CV 1 OR { 157} (( segid " " and resid 39 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 159} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HG1%) 2.500 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.519 ppm2 0.762 CV 1 OR { 159} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HG2%) OR { 159} (( segid " " and resid 39 and name HA )) ( segid " " and resid 46 and name HG1%) ASSI { 171} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 2.400 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.522 ppm2 8.477 CV 1 OR { 171} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) ASSI { 197} (( segid " " and resid 20 and name HA )) ( segid " " and resid 35 and name HG2%) 2.800 1.000 1.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.431 ppm2 0.803 CV 1 OR { 197} (( segid " " and resid 88 and name HA )) ( segid " " and resid 87 and name HG2%) ASSI { 198} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HB1 )) 2.900 2.900 3.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.414 ppm2 1.867 CV 1 OR { 198} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HB )) OR { 198} (( segid " " and resid 20 and name HA )) (( segid " " and resid 89 and name HB1 )) ASSI { 202} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 202 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.402 ppm2 4.694 CV 1 OR { 202} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HA )) ASSI { 218} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HG11)) 2.800 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.380 ppm2 1.471 CV 1 OR { 218} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HG12)) OR { 218} (( segid " " and resid 65 and name HA )) ( segid " " and resid 66 and name HB% ) ASSI { 224} (( segid " " and resid 27 and name HA )) (( segid " " and resid 83 and name HG1 )) 2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.037 ppm2 1.295 CV 1 OR { 224} (( segid " " and resid 27 and name HA )) (( segid " " and resid 83 and name HB1 )) OR { 224} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG1 )) ASSI { 226} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG2 )) 2.900 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.034 ppm2 1.546 CV 1 OR { 226} (( segid " " and resid 27 and name HA )) (( segid " " and resid 83 and name HD2 )) OR { 226} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HD1 )) OR { 226} (( segid " " and resid 27 and name HA )) (( segid " " and resid 83 and name HB2 )) ASSI { 260} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.600 0.900 0.900 peak 260 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.221 ppm2 4.014 CV 1 OR { 260} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HA )) ASSI { 274} (( segid " " and resid 21 and name HA )) ( segid " " and resid 35 and name HG2%) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.686 ppm2 0.799 CV 1 OR { 274} (( segid " " and resid 21 and name HA )) ( segid " " and resid 22 and name HG2%) ASSI { 278} (( segid " " and resid 77 and name HA )) ( segid " " and resid 76 and name HG2%) 2.800 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.606 ppm2 0.733 CV 1 OR { 278} (( segid " " and resid 7 and name HA )) ( segid " " and resid 8 and name HD2%) ASSI { 286} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG2 )) 2.600 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.212 ppm2 2.211 CV 1 OR { 286} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) OR { 286} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) OR { 286} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HG1 )) ASSI { 336} (( segid " " and resid 81 and name HA )) (( segid " " and resid 27 and name HB2 )) 2.900 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.935 ppm2 1.953 CV 1 OR { 336} (( segid " " and resid 81 and name HA )) (( segid " " and resid 27 and name HB1 )) OR { 336} (( segid " " and resid 81 and name HA )) (( segid " " and resid 78 and name HB1 )) ASSI { 344} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.268 ppm2 8.312 CV 1 OR { 344} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HN )) ASSI { 420} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) 2.300 0.700 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.482 ppm2 8.863 CV 1 OR { 420} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 452} (( segid " " and resid 48 and name HB1 )) ( segid " " and resid 76 and name HD1%) 2.900 1.100 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.697 ppm2 0.750 CV 1 OR { 452} (( segid " " and resid 48 and name HB1 )) ( segid " " and resid 46 and name HG1%) ASSI { 475} (( segid " " and resid 13 and name HA2 )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.038 ppm2 8.196 CV 1 OR { 475} (( segid " " and resid 13 and name HA1 )) (( segid " " and resid 13 and name HN )) OR { 475} (( segid " " and resid 13 and name HA1 )) (( segid " " and resid 14 and name HN )) OR { 475} (( segid " " and resid 13 and name HA2 )) (( segid " " and resid 14 and name HN )) ASSI { 476} (( segid " " and resid 55 and name HA1 )) (( segid " " and resid 54 and name HA )) 2.900 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.037 ppm2 4.325 CV 1 OR { 476} (( segid " " and resid 13 and name HA2 )) (( segid " " and resid 12 and name HA )) OR { 476} (( segid " " and resid 13 and name HA1 )) (( segid " " and resid 12 and name HA )) ASSI { 497} (( segid " " and resid 63 and name HD1 )) (( segid " " and resid 63 and name HB2 )) 2.600 0.800 0.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.189 ppm2 1.733 CV 1 OR { 497} (( segid " " and resid 63 and name HD2 )) (( segid " " and resid 63 and name HB2 )) OR { 497} (( segid " " and resid 78 and name HD2 )) (( segid " " and resid 78 and name HB2 )) OR { 497} (( segid " " and resid 78 and name HD1 )) (( segid " " and resid 78 and name HB2 )) ASSI { 524} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HG1 )) 2.700 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.965 ppm2 1.429 CV 1 OR { 524} (( segid " " and resid 27 and name HE1 )) ( segid " " and resid 28 and name HB% ) ASSI { 579} (( segid " " and resid 39 and name HB )) ( segid " " and resid 39 and name HD1%) 2.700 0.900 0.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.709 ppm2 0.823 CV 1 OR { 579} (( segid " " and resid 65 and name HB )) ( segid " " and resid 65 and name HD1%) ASSI { 654} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HA )) 2.500 0.800 0.800 peak 654 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.253 ppm2 4.390 CV 1 OR { 654} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HA )) OR { 654} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) ASSI { 656} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD1 )) 2.900 1.100 1.100 peak 656 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.256 ppm2 3.815 CV 1 OR { 656} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HD1 )) OR { 656} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD2 )) OR { 656} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HD1 )) ASSI { 657} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HD2 )) 3.200 1.300 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.257 ppm2 3.619 CV 1 OR { 657} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HD1 )) OR { 657} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HD2 )) ASSI { 658} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HB2 )) 2.100 2.100 3.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.256 ppm2 1.912 CV 1 OR { 658} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HB2 )) OR { 658} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HB2 )) OR { 658} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HG1 )) ASSI { 660} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD1 )) 3.200 1.300 1.300 peak 660 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.235 ppm2 3.803 CV 1 OR { 660} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HD2 )) OR { 660} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD2 )) ASSI { 663} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HA )) 2.800 1.000 1.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.873 ppm2 4.380 CV 1 OR { 663} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) ASSI { 664} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HD2 )) 3.000 1.200 1.200 peak 664 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.873 ppm2 3.614 CV 1 OR { 664} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HD2 )) ASSI { 668} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HD1 )) 3.000 1.100 1.100 peak 668 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.807 ppm2 3.617 CV 1 OR { 668} (( segid " " and resid 92 and name HB2 )) (( segid " " and resid 93 and name HD2 )) ASSI { 690} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HD1 )) 3.100 1.200 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.876 ppm2 3.821 CV 1 OR { 690} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HD1 )) OR { 690} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD2 )) OR { 690} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD1 )) ASSI { 737} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 83 and name HE1 )) 2.500 0.800 0.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.529 ppm2 2.920 CV 1 OR { 737} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HE1 )) OR { 737} (( segid " " and resid 83 and name HD2 )) (( segid " " and resid 83 and name HE2 )) ASSI { 751} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 71 and name HB )) 2.800 2.800 3.200 peak 751 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.653 ppm2 3.813 CV 1 OR { 751} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 34 and name HA2 )) ASSI { 752} (( segid " " and resid 83 and name HD1 )) (( segid " " and resid 83 and name HE2 )) 2.500 0.800 0.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.647 ppm2 2.947 CV 1 OR { 752} (( segid " " and resid 21 and name HD1 )) (( segid " " and resid 21 and name HE1 )) OR { 752} (( segid " " and resid 83 and name HD1 )) (( segid " " and resid 83 and name HE1 )) ASSI { 783} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 39 and name HA )) 2.500 0.800 0.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.986 ppm2 4.504 CV 1 OR { 783} (( segid " " and resid 39 and name HG12)) (( segid " " and resid 46 and name HA )) ASSI { 802} (( segid " " and resid 60 and name HG1 )) (( segid " " and resid 60 and name HA )) 3.200 1.300 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.003 ppm2 4.355 CV 1 OR { 802} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HA )) OR { 802} (( segid " " and resid 60 and name HG1 )) (( segid " " and resid 59 and name HA )) ASSI { 803} (( segid " " and resid 93 and name HG1 )) (( segid " " and resid 93 and name HD1 )) 2.300 0.600 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 2.000 ppm2 3.758 CV 1 OR { 803} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HD1 )) ASSI { 805} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.926 ppm2 4.354 CV 1 OR { 805} (( segid " " and resid 91 and name HG1 )) (( segid " " and resid 91 and name HA )) ASSI { 876} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HE1 )) 2.700 0.900 0.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.402 ppm2 2.961 CV 1 OR { 876} (( segid " " and resid 21 and name HG2 )) (( segid " " and resid 21 and name HE1 )) OR { 876} (( segid " " and resid 21 and name HG1 )) (( segid " " and resid 21 and name HE1 )) ASSI { 924} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HA )) 3.100 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.262 ppm2 5.463 CV 1 OR { 924} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 74 and name HA )) ASSI { 935} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 60 and name HB1 )) 3.000 1.200 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.216 ppm2 2.138 CV 1 OR { 935} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HB1 )) OR { 935} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HB2 )) ASSI { 944} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 47 and name HN )) 2.600 0.800 0.800 peak 944 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.367 ppm2 8.866 CV 1 OR { 944} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 48 and name HN )) ASSI { 946} ( segid " " and resid 47 and name HB% ) ( segid " " and resid 76 and name HD1%) 2.800 1.000 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.366 ppm2 0.746 CV 1 OR { 946} ( segid " " and resid 47 and name HB% ) ( segid " " and resid 76 and name HG2%) OR { 946} ( segid " " and resid 47 and name HB% ) ( segid " " and resid 46 and name HG1%) ASSI { 947} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 46 and name HA )) 3.400 1.500 1.500 peak 947 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.363 ppm2 4.504 CV 1 OR { 947} ( segid " " and resid 47 and name HB% ) (( segid " " and resid 76 and name HA )) ASSI { 954} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 46 and name HN )) 3.200 1.200 1.200 peak 954 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.012 ppm2 8.917 CV 1 OR { 954} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 79 and name HN )) ASSI { 976} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 88 and name HN )) 2.800 1.000 1.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.829 ppm2 8.734 CV 1 OR { 976} ( segid " " and resid 87 and name HG2%) (( segid " " and resid 87 and name HN )) ASSI { 982} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.725 ppm2 8.898 CV 1 OR { 982} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HN )) OR { 982} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HN )) ASSI { 1001} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 24 and name HB1 )) 3.000 3.000 3.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.805 ppm2 1.356 CV 1 OR { 1001} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 24 and name HB2 )) OR { 1001} ( segid " " and resid 22 and name HG2%) (( segid " " and resid 21 and name HG2 )) ASSI { 1017} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 60 and name HB1 )) 2.200 2.200 3.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.966 ppm2 2.101 CV 1 OR { 1017} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 57 and name HB2 )) ASSI { 1041} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 65 and name HB )) 2.200 2.200 3.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.433 ppm2 1.732 CV 1 OR { 1041} ( segid " " and resid 66 and name HB% ) (( segid " " and resid 64 and name HB2 )) ASSI { 1118} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 22 and name HN )) 2.600 2.600 3.400 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 0.796 ppm2 9.216 CV 1 OR { 1118} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 37 and name HN )) ASSI { 1145} (( segid " " and resid 15 and name HB )) ( segid " " and resid 35 and name HD1%) 2.300 2.300 3.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.092 ppm2 0.808 CV 1 OR { 1145} (( segid " " and resid 15 and name HB )) ( segid " " and resid 18 and name HD1%) ASSI { 1167} (( segid " " and resid 22 and name HA )) (( segid " " and resid 21 and name HG2 )) 3.100 3.100 2.900 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.978 ppm2 1.354 CV 1 OR { 1167} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HB1 )) OR { 1167} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HB2 )) ASSI { 1177} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG1 )) 3.000 1.100 1.100 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.350 ppm2 1.838 CV 1 OR { 1177} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HB2 )) ASSI { 1201} (( segid " " and resid 31 and name HD1 )) ( segid " " and resid 25 and name HD1%) 2.300 2.300 3.700 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 3.172 ppm2 0.793 CV 1 OR { 1201} (( segid " " and resid 63 and name HD2 )) ( segid " " and resid 65 and name HD1%) OR { 1201} (( segid " " and resid 63 and name HD1 )) ( segid " " and resid 65 and name HD1%) ASSI { 1237} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 1.818 ppm2 8.887 CV 1 OR { 1237} (( segid " " and resid 46 and name HB )) (( segid " " and resid 47 and name HN )) ASSI { 1293} (( segid " " and resid 29 and name HA )) (( segid " " and resid 25 and name HB )) 2.900 2.900 3.100 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.192 ppm2 1.539 CV 1 OR { 1293} (( segid " " and resid 29 and name HA )) (( segid " " and resid 83 and name HB2 )) ASSI { 1297} (( segid " " and resid 33 and name HA )) ( segid " " and resid 22 and name HG2%) 3.100 3.100 2.900 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 5.912 ppm2 0.751 CV 1 OR { 1297} (( segid " " and resid 33 and name HA )) ( segid " " and resid 35 and name HD1%) ASSI { 1302} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HA )) 3.000 3.000 3.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.399 ppm2 4.514 CV 1 OR { 1302} (( segid " " and resid 38 and name HA )) (( segid " " and resid 46 and name HA )) ASSI { 1312} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HN )) 2.600 0.800 0.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.36084E-02 ppm1 4.637 ppm2 8.908 CV 1 OR { 1312} (( segid " " and resid 78 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 8} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HD2%) 3.300 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.243 ppm2 0.696 CV 1 OR { 8} (( segid " " and resid 37 and name HN )) ( segid " " and resid 48 and name HD1%) ASSI { 34} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 3.500 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.431 ppm2 8.632 CV 1 OR { 34} (( segid " " and resid 24 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 42} (( segid " " and resid 24 and name HN )) ( segid " " and resid 85 and name HD2%) 3.500 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.432 ppm2 0.737 CV 1 OR { 42} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD1%) OR { 42} (( segid " " and resid 24 and name HN )) ( segid " " and resid 85 and name HD1%) ASSI { 60} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.161 ppm2 1.528 CV 1 OR { 60} (( segid " " and resid 83 and name HN )) (( segid " " and resid 25 and name HB )) OR { 60} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HD2 )) ASSI { 66} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 3.400 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.067 ppm2 9.259 CV 1 OR { 66} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) ASSI { 72} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HG2%) 3.600 1.600 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.063 ppm2 0.832 CV 1 OR { 72} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HD1%) ASSI { 96} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG12)) 3.800 1.800 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.482 ppm2 0.991 CV 1 OR { 96} (( segid " " and resid 40 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 100} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 3.400 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.568 ppm2 6.920 CV 1 OR { 100} (( segid " " and resid 31 and name HN )) ( segid " " and resid 32 and name HD% ) ASSI { 128} (( segid " " and resid 77 and name HN )) (( segid " " and resid 46 and name HN )) 3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.322 ppm2 8.924 CV 1 OR { 128} (( segid " " and resid 77 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 137} (( segid " " and resid 77 and name HN )) (( segid " " and resid 45 and name HB )) 3.100 1.200 1.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.321 ppm2 3.996 CV 1 OR { 137} (( segid " " and resid 77 and name HN )) (( segid " " and resid 79 and name HA2 )) ASSI { 143} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HB )) 3.000 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.504 ppm2 1.575 CV 1 OR { 143} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB )) ASSI { 147} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.498 ppm2 1.360 CV 1 OR { 147} (( segid " " and resid 26 and name HN )) (( segid " " and resid 31 and name HG2 )) OR { 147} (( segid " " and resid 26 and name HN )) (( segid " " and resid 31 and name HG1 )) ASSI { 155} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG12)) 3.200 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.246 ppm2 1.404 CV 1 OR { 155} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HG2 )) ASSI { 170} (( segid " " and resid 85 and name HN )) (( segid " " and resid 25 and name HG11)) 3.100 3.100 2.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.369 ppm2 0.584 CV 1 OR { 170} (( segid " " and resid 85 and name HN )) ( segid " " and resid 87 and name HG1%) ASSI { 231} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.000 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.132 ppm2 2.021 CV 1 OR { 231} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) OR { 231} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB )) ASSI { 249} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 3.400 1.500 1.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.892 ppm2 9.478 CV 1 OR { 249} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) ASSI { 253} (( segid " " and resid 25 and name HN )) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.894 ppm2 5.534 CV 1 OR { 253} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 286} (( segid " " and resid 21 and name HN )) ( segid " " and resid 35 and name HG2%) 3.100 1.200 1.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.698 ppm2 0.816 CV 1 OR { 286} (( segid " " and resid 21 and name HN )) ( segid " " and resid 22 and name HG2%) ASSI { 307} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.413 ppm2 4.170 CV 1 OR { 307} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB )) ASSI { 316} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.900 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.464 ppm2 4.372 CV 1 OR { 316} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) ASSI { 319} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB )) 3.100 1.200 1.200 peak 319 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.463 ppm2 1.732 CV 1 OR { 319} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 337} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HB2 )) 3.700 1.700 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.291 ppm2 1.971 CV 1 OR { 337} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HG1 )) OR { 337} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HB1 )) ASSI { 338} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.100 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.291 ppm2 1.827 CV 1 OR { 338} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB2 )) ASSI { 347} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HB% ) 3.100 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.513 ppm2 1.263 CV 1 OR { 347} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) ASSI { 351} (( segid " " and resid 49 and name HN )) ( segid " " and resid 47 and name HB% ) 3.400 1.400 1.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.509 ppm2 1.400 CV 1 OR { 351} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HG1 )) ASSI { 354} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.885 ppm2 5.477 CV 1 OR { 354} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 356} (( segid " " and resid 48 and name HN )) ( segid " " and resid 47 and name HB% ) 3.500 1.600 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.887 ppm2 1.364 CV 1 OR { 356} (( segid " " and resid 48 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 358} (( segid " " and resid 48 and name HN )) ( segid " " and resid 76 and name HG2%) 3.700 1.700 1.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.886 ppm2 0.698 CV 1 OR { 358} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HD1%) OR { 358} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HD2%) ASSI { 373} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.900 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.300 ppm2 4.596 CV 1 OR { 373} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 374} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.100 1.200 1.200 peak 374 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.302 ppm2 1.505 CV 1 OR { 374} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 374} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HG1 )) ASSI { 385} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 9.044 ppm2 4.623 CV 1 OR { 385} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) ASSI { 396} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG11)) 3.400 1.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.663 ppm2 1.377 CV 1 OR { 396} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG12)) OR { 396} (( segid " " and resid 75 and name HN )) ( segid " " and resid 47 and name HB% ) ASSI { 430} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.233 ppm2 1.857 CV 1 OR { 430} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB2 )) ASSI { 447} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.900 1.100 1.100 peak 447 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.752 ppm2 4.027 CV 1 OR { 447} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 514} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.037 ppm2 4.224 CV 1 OR { 514} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 515} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HN )) 2.800 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.035 ppm2 8.303 CV 1 OR { 515} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) ASSI { 517} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 3.000 1.100 1.100 peak 517 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.029 ppm2 4.924 CV 1 OR { 517} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 525} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.900 1.000 1.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.299 ppm2 4.252 CV 1 OR { 525} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 543} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG2 )) 3.400 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.072 ppm2 1.904 CV 1 OR { 543} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG1 )) OR { 543} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 578} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) 3.200 1.300 1.300 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.719 ppm2 1.664 CV 1 OR { 578} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 592} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.515 ppm2 4.031 CV 1 OR { 592} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 594} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HE1 )) 3.600 1.600 1.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.514 ppm2 2.907 CV 1 OR { 594} (( segid " " and resid 27 and name HN )) (( segid " " and resid 83 and name HE1 )) OR { 594} (( segid " " and resid 27 and name HN )) (( segid " " and resid 83 and name HE2 )) ASSI { 596} (( segid " " and resid 27 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.500 3.500 2.500 peak 596 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.513 ppm2 1.758 CV 1 OR { 596} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HG )) ASSI { 636} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HN )) 2.900 1.100 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.061 ppm2 8.710 CV 1 OR { 636} (( segid " " and resid 50 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 691} (( segid " " and resid 20 and name HN )) ( segid " " and resid 35 and name HG2%) 3.300 1.400 1.400 peak 691 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.305 ppm2 0.834 CV 1 OR { 691} (( segid " " and resid 20 and name HN )) ( segid " " and resid 22 and name HG2%) ASSI { 727} (( segid " " and resid 84 and name HN )) (( segid " " and resid 25 and name HB )) 2.800 1.000 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.919 ppm2 1.541 CV 1 OR { 727} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) ASSI { 730} (( segid " " and resid 84 and name HN )) ( segid " " and resid 25 and name HD1%) 3.600 1.700 1.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.918 ppm2 0.729 CV 1 OR { 730} (( segid " " and resid 84 and name HN )) ( segid " " and resid 85 and name HD2%) ASSI { 814} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 3.000 1.100 1.100 peak 814 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.452 ppm2 4.307 CV 1 OR { 814} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) ASSI { 816} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HG1 )) 2.800 2.800 3.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.452 ppm2 2.198 CV 1 OR { 816} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HG2 )) OR { 816} (( segid " " and resid 12 and name HN )) (( segid " " and resid 57 and name HG2 )) ASSI { 832} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.541 ppm2 2.699 CV 1 OR { 832} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 838} (( segid " " and resid 80 and name HN )) (( segid " " and resid 43 and name HA )) 2.600 2.600 3.400 peak 838 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.284 ppm2 4.775 CV 1 OR { 838} (( segid " " and resid 80 and name HN )) (( segid " " and resid 84 and name HA )) ASSI { 869} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HA )) 3.300 3.300 2.700 peak 869 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.684 ppm2 4.384 CV 1 OR { 869} (( segid " " and resid 15 and name HN )) (( segid " " and resid 56 and name HB )) ASSI { 873} (( segid " " and resid 15 and name HN )) (( segid " " and resid 57 and name HG1 )) 3.400 3.400 2.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.686 ppm2 2.273 CV 1 OR { 873} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 886} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) 3.400 1.400 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.192 ppm2 4.517 CV 1 OR { 886} (( segid " " and resid 45 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 897} (( segid " " and resid 13 and name HN )) (( segid " " and resid 57 and name HA )) 3.400 1.400 1.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.211 ppm2 3.768 CV 1 OR { 897} (( segid " " and resid 13 and name HN )) (( segid " " and resid 55 and name HA2 )) ASSI { 914} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.186 ppm2 4.040 CV 1 OR { 914} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 929} (( segid " " and resid 38 and name HN )) (( segid " " and resid 48 and name HA )) 3.600 1.700 1.700 peak 929 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.658 ppm2 5.452 CV 1 OR { 929} (( segid " " and resid 38 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 935} (( segid " " and resid 38 and name HN )) (( segid " " and resid 47 and name HN )) 3.100 1.200 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.652 ppm2 8.863 CV 1 OR { 935} (( segid " " and resid 38 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 940} (( segid " " and resid 38 and name HN )) ( segid " " and resid 46 and name HG1%) 3.200 1.300 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.652 ppm2 0.726 CV 1 OR { 940} (( segid " " and resid 38 and name HN )) ( segid " " and resid 48 and name HD1%) OR { 940} (( segid " " and resid 38 and name HN )) ( segid " " and resid 46 and name HG2%) ASSI { 953} (( segid " " and resid 34 and name HN )) (( segid " " and resid 22 and name HB )) 3.100 3.100 2.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.593 ppm2 1.883 CV 1 OR { 953} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HB )) ASSI { 956} (( segid " " and resid 34 and name HN )) ( segid " " and resid 51 and name HG1%) 3.600 1.600 1.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.595 ppm2 0.807 CV 1 OR { 956} (( segid " " and resid 34 and name HN )) ( segid " " and resid 22 and name HG2%) OR { 956} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HD1%) ASSI { 965} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 3.000 3.000 3.000 peak 965 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.211 ppm2 4.312 CV 1 OR { 965} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 967} (( segid " " and resid 14 and name HN )) (( segid " " and resid 55 and name HA2 )) 3.400 1.400 1.400 peak 967 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.212 ppm2 3.782 CV 1 OR { 967} (( segid " " and resid 14 and name HN )) (( segid " " and resid 57 and name HA )) ASSI { 990} (( segid " " and resid 44 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.500 3.500 2.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 7.729 ppm2 3.933 CV 1 OR { 990} (( segid " " and resid 44 and name HN )) (( segid " " and resid 80 and name HB1 )) OR { 990} (( segid " " and resid 44 and name HN )) (( segid " " and resid 79 and name HA2 )) ASSI { 993} (( segid " " and resid 51 and name HN )) (( segid " " and resid 34 and name HA2 )) 3.800 1.800 1.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.17182E-02 ppm1 8.712 ppm2 3.802 CV 1 OR { 993} (( segid " " and resid 51 and name HN )) (( segid " " and resid 71 and name HB ))
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