NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
476540 | 2koo | 16524 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB1 )) 5.500 3.800 0.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14809E-03 ppm1 3.936 ppm2 2.247 CV 1 OR { 2} (( segid " " and resid 18 and name HA )) (( segid " " and resid 45 and name HB1 )) OR { 2} (( segid " " and resid 18 and name HA )) (( segid " " and resid 45 and name HG2 )) OR { 2} (( segid " " and resid 18 and name HA )) (( segid " " and resid 46 and name HB )) ASSI { 3} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB2 )) 5.500 3.800 0.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16906E-03 ppm1 3.933 ppm2 2.147 CV 1 OR { 3} (( segid " " and resid 18 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 8} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG1%) 2.200 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10214E-01 ppm1 3.936 ppm2 0.953 CV 1 OR { 8} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG2%) OR { 8} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 18 and name HG2%) OR { 8} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 46 and name HG2%) OR { 8} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 13} (( segid " " and resid 18 and name HB )) (( segid " " and resid 17 and name HN )) 4.400 2.500 1.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.71687E-03 ppm1 1.631 ppm2 8.328 CV 1 OR { 13} (( segid " " and resid 18 and name HB )) (( segid " " and resid 43 and name HN )) ASSI { 14} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HN )) 2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.53877E-02 ppm1 1.635 ppm2 8.202 CV 1 OR { 14} (( segid " " and resid 18 and name HB )) (( segid " " and resid 39 and name HN )) ASSI { 16} (( segid " " and resid 21 and name HB )) (( segid " " and resid 16 and name HD22)) 4.200 2.200 1.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.61793E-03 ppm1 1.627 ppm2 8.084 CV 1 OR { 16} (( segid " " and resid 18 and name HB )) (( segid " " and resid 46 and name HN )) OR { 16} (( segid " " and resid 21 and name HB )) (( segid " " and resid 38 and name HN )) OR { 16} (( segid " " and resid 18 and name HB )) (( segid " " and resid 41 and name HN )) ASSI { 18} (( segid " " and resid 18 and name HB )) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 18 spectrum 1 weight 0.10000E+01 volume 0.21565E-02 ppm1 1.634 ppm2 3.596 CV 1 OR { 18} (( segid " " and resid 21 and name HB )) (( segid " " and resid 15 and name HA )) ASSI { 20} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HA )) 3.000 1.100 1.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.19052E-02 ppm1 1.618 ppm2 4.321 CV 1 OR { 20} (( segid " " and resid 18 and name HB )) (( segid " " and resid 42 and name HA )) ASSI { 21} (( segid " " and resid 21 and name HB )) (( segid " " and resid 15 and name HB )) 3.500 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.97499E-03 ppm1 1.632 ppm2 2.291 CV 1 OR { 21} (( segid " " and resid 21 and name HB )) (( segid " " and resid 36 and name HB1 )) OR { 21} (( segid " " and resid 21 and name HB )) (( segid " " and resid 26 and name HB )) OR { 21} (( segid " " and resid 18 and name HB )) (( segid " " and resid 17 and name HB1 )) OR { 21} (( segid " " and resid 18 and name HB )) (( segid " " and resid 45 and name HB1 )) OR { 21} (( segid " " and resid 18 and name HB )) (( segid " " and resid 46 and name HB )) OR { 21} (( segid " " and resid 18 and name HB )) (( segid " " and resid 45 and name HG2 )) ASSI { 22} (( segid " " and resid 21 and name HB )) (( segid " " and resid 15 and name HB )) 3.400 1.400 1.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 1.628 ppm2 2.258 CV 1 OR { 22} (( segid " " and resid 21 and name HB )) (( segid " " and resid 36 and name HB1 )) OR { 22} (( segid " " and resid 18 and name HB )) (( segid " " and resid 17 and name HB1 )) OR { 22} (( segid " " and resid 18 and name HB )) (( segid " " and resid 45 and name HB1 )) OR { 22} (( segid " " and resid 18 and name HB )) (( segid " " and resid 46 and name HB )) OR { 22} (( segid " " and resid 18 and name HB )) (( segid " " and resid 45 and name HG2 )) ASSI { 23} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HD1%) 2.600 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.36165E-02 ppm1 1.624 ppm2 0.803 CV 1 OR { 23} (( segid " " and resid 21 and name HB )) ( segid " " and resid 21 and name HD1%) OR { 23} (( segid " " and resid 21 and name HB )) ( segid " " and resid 36 and name HD2%) ASSI { 24} (( segid " " and resid 21 and name HB )) ( segid " " and resid 21 and name HG2%) 1.900 0.400 0.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.15099E-01 ppm1 1.622 ppm2 0.996 CV 1 OR { 24} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG2%) OR { 24} (( segid " " and resid 21 and name HB )) ( segid " " and resid 15 and name HG1%) OR { 24} (( segid " " and resid 18 and name HB )) ( segid " " and resid 46 and name HG2%) ASSI { 25} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HG11)) 2.000 0.500 0.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.92516E-02 ppm1 1.623 ppm2 1.317 CV 1 OR { 25} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HG12)) OR { 25} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HG12)) ASSI { 26} (( segid " " and resid 21 and name HB )) ( segid " " and resid 15 and name HG2%) 3.900 1.900 1.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.12214E-02 ppm1 1.620 ppm2 1.185 CV 1 OR { 26} (( segid " " and resid 18 and name HB )) ( segid " " and resid 15 and name HG2%) ASSI { 29} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 3.100 1.200 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.23108E-02 ppm1 2.555 ppm2 7.832 CV 1 OR { 29} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HN )) ASSI { 30} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) 3.600 1.700 1.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.15972E-02 ppm1 3.256 ppm2 7.833 CV 1 OR { 30} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HN )) ASSI { 39} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.000 0.500 0.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.16671E-01 ppm1 4.492 ppm2 7.831 CV 1 OR { 39} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 69} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HE21)) 3.300 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.15822E-02 ppm1 1.569 ppm2 7.670 CV 1 OR { 69} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HN )) ASSI { 78} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HG1 )) 4.300 2.400 1.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.34617E-03 ppm1 1.568 ppm2 2.722 CV 1 OR { 78} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 54 and name HB2 )) ASSI { 83} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 7 and name HD1%) 2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.55352E-02 ppm1 1.570 ppm2 0.527 CV 1 OR { 83} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 76 and name HG2%) OR { 83} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 7 and name HG2%) ASSI { 97} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HB )) 3.300 1.400 1.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.38440E-02 ppm1 3.705 ppm2 1.782 CV 1 OR { 97} (( segid " " and resid 4 and name HA )) (( segid " " and resid 77 and name HB1 )) OR { 97} (( segid " " and resid 4 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 98} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HG11)) 3.900 1.900 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.91835E-03 ppm1 3.706 ppm2 1.540 CV 1 OR { 98} (( segid " " and resid 4 and name HA )) ( segid " " and resid 2 and name HB% ) OR { 98} (( segid " " and resid 4 and name HA )) ( segid " " and resid 72 and name HB% ) ASSI { 106} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 77 and name HD2%) 3.800 1.800 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.16524E-02 ppm1 2.185 ppm2 0.819 CV 1 OR { 106} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 77 and name HD1%) OR { 106} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 77 and name HD1%) OR { 106} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 28 and name HD1%) ASSI { 107} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 77 and name HD2%) 3.800 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.91840E-03 ppm1 2.045 ppm2 0.822 CV 1 OR { 107} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 77 and name HD1%) OR { 107} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 28 and name HD1%) OR { 107} (( segid " " and resid 24 and name HB1 )) ( segid " " and resid 36 and name HD2%) OR { 107} (( segid " " and resid 24 and name HB2 )) ( segid " " and resid 36 and name HD2%) OR { 107} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 77 and name HD1%) ASSI { 118} (( segid " " and resid 4 and name HG1 )) ( segid " " and resid 28 and name HD1%) 3.500 1.600 1.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.16368E-02 ppm1 2.234 ppm2 0.819 CV 1 OR { 118} (( segid " " and resid 4 and name HG1 )) ( segid " " and resid 77 and name HD2%) OR { 118} (( segid " " and resid 4 and name HG1 )) ( segid " " and resid 77 and name HD1%) ASSI { 119} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 28 and name HD1%) 3.600 1.600 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.14440E-02 ppm1 2.161 ppm2 0.821 CV 1 OR { 119} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 77 and name HD2%) OR { 119} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 77 and name HD1%) ASSI { 125} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HN )) 3.400 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 3.931 ppm2 8.394 CV 1 OR { 125} (( segid " " and resid 5 and name HA )) (( segid " " and resid 7 and name HN )) ASSI { 132} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.300 0.700 0.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.92717E-02 ppm1 3.936 ppm2 1.992 CV 1 OR { 132} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HB )) ASSI { 135} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.41177E-02 ppm1 1.985 ppm2 3.936 CV 1 OR { 135} (( segid " " and resid 14 and name HG11)) (( segid " " and resid 13 and name HA )) ASSI { 136} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 6 and name HN )) 4.000 2.000 2.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 2.093 ppm2 7.695 CV 1 OR { 136} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HE21)) OR { 136} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 79 and name HN )) OR { 136} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HE22)) ASSI { 138} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HN )) 3.500 1.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 2.089 ppm2 8.863 CV 1 OR { 138} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HN )) ASSI { 139} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HN )) 2.600 0.900 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.27790E-02 ppm1 1.983 ppm2 8.859 CV 1 OR { 139} (( segid " " and resid 14 and name HG11)) (( segid " " and resid 15 and name HN )) ASSI { 145} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HA )) 2.500 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.36929E-02 ppm1 2.487 ppm2 4.164 CV 1 OR { 145} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) ASSI { 146} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.500 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.58801E-02 ppm1 2.116 ppm2 4.158 CV 1 OR { 146} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) ASSI { 147} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.900 1.900 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.20245E-02 ppm1 2.482 ppm2 3.953 CV 1 OR { 147} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 5 and name HA )) ASSI { 148} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 48 and name HA )) 2.900 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 2.111 ppm2 3.953 CV 1 OR { 148} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 5 and name HA )) ASSI { 151} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 2 and name HB% ) 3.600 1.700 1.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.27861E-02 ppm1 2.116 ppm2 1.561 CV 1 OR { 151} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HG11)) ASSI { 152} (( segid " " and resid 6 and name HB1 )) ( segid " " and resid 2 and name HB% ) 2.600 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.28087E-02 ppm1 2.496 ppm2 1.560 CV 1 OR { 152} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 7 and name HG11)) ASSI { 155} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 7 and name HN )) 2.400 2.400 3.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.14457E-02 ppm1 2.498 ppm2 8.396 CV 1 OR { 155} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 8 and name HN )) ASSI { 156} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HN )) 3.400 1.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.13904E-02 ppm1 2.119 ppm2 8.394 CV 1 OR { 156} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 8 and name HN )) ASSI { 157} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HN )) 2.800 1.000 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.37996E-02 ppm1 2.489 ppm2 7.710 CV 1 OR { 157} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 52 and name HN )) OR { 157} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 80 and name HE22)) ASSI { 158} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.31603E-02 ppm1 2.115 ppm2 7.711 CV 1 OR { 158} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HN )) ASSI { 159} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HN )) 3.500 1.500 1.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.29786E-02 ppm1 2.476 ppm2 8.860 CV 1 OR { 159} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 50 and name HN )) OR { 159} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 5 and name HN )) OR { 159} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 2 and name HN )) ASSI { 160} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.23810E-02 ppm1 2.114 ppm2 8.860 CV 1 OR { 160} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 5 and name HN )) OR { 160} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 50 and name HN )) ASSI { 161} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 57 and name HA )) 3.200 1.300 1.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.63593E-03 ppm1 2.485 ppm2 4.731 CV 1 OR { 161} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 3 and name HB )) ASSI { 162} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HA )) 4.400 2.500 1.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.64136E-03 ppm1 2.112 ppm2 4.731 CV 1 OR { 162} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 3 and name HB )) ASSI { 163} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 7 and name HN )) 4.400 2.400 1.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.55955E-03 ppm1 2.395 ppm2 8.387 CV 1 OR { 163} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 7 and name HN )) OR { 163} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 8 and name HN )) OR { 163} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 8 and name HN )) ASSI { 167} (( segid " " and resid 6 and name HA )) ( segid " " and resid 9 and name HB% ) 2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.60857E-02 ppm1 4.137 ppm2 1.520 CV 1 OR { 167} (( segid " " and resid 6 and name HA )) ( segid " " and resid 2 and name HB% ) OR { 167} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HG11)) ASSI { 171} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 47 and name HG1%) 4.300 2.300 1.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.69179E-03 ppm1 2.111 ppm2 0.858 CV 1 OR { 171} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 77 and name HD2%) OR { 171} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 47 and name HG2%) OR { 171} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 58 and name HG12)) OR { 171} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 77 and name HD1%) OR { 171} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 53 and name HG1 )) ASSI { 172} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.300 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.15012E-02 ppm1 4.122 ppm2 7.832 CV 1 OR { 172} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 176} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HN )) 3.800 1.800 1.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.16296E-02 ppm1 2.429 ppm2 7.692 CV 1 OR { 176} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 9 and name HN )) OR { 176} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 80 and name HE22)) ASSI { 181} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HN )) 4.000 2.000 2.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.65799E-03 ppm1 3.888 ppm2 7.713 CV 1 OR { 181} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HN )) OR { 181} (( segid " " and resid 7 and name HA )) (( segid " " and resid 80 and name HE22)) ASSI { 184} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HN )) 2.000 0.500 0.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.79923E-02 ppm1 1.787 ppm2 8.396 CV 1 OR { 184} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) ASSI { 186} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HN )) 2.000 0.500 0.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.79329E-02 ppm1 1.783 ppm2 8.507 CV 1 OR { 186} (( segid " " and resid 76 and name HB )) (( segid " " and resid 77 and name HN )) OR { 186} (( segid " " and resid 7 and name HB )) (( segid " " and resid 3 and name HN )) OR { 186} (( segid " " and resid 7 and name HB )) (( segid " " and resid 77 and name HN )) ASSI { 187} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 77 and name HN )) 2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.23421E-02 ppm1 0.530 ppm2 8.507 CV 1 OR { 187} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 76 and name HN )) OR { 187} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 3 and name HN )) ASSI { 189} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HE22)) 3.800 1.800 1.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10575E-02 ppm1 0.529 ppm2 7.726 CV 1 OR { 189} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HN )) OR { 189} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 190} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HE21)) 2.900 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.14620E-02 ppm1 0.530 ppm2 7.656 CV 1 OR { 190} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HN )) ASSI { 193} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 77 and name HN )) 4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13954E-02 ppm1 0.565 ppm2 8.507 CV 1 OR { 193} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 76 and name HN )) OR { 193} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 3 and name HN )) ASSI { 197} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.58047E-03 ppm1 0.566 ppm2 9.230 CV 1 OR { 197} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 4 and name HN )) ASSI { 202} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HB2 )) 4.800 2.900 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.55097E-03 ppm1 3.887 ppm2 2.119 CV 1 OR { 202} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 202} (( segid " " and resid 7 and name HA )) (( segid " " and resid 4 and name HG2 )) ASSI { 204} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB )) 2.700 0.900 0.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.24159E-02 ppm1 3.888 ppm2 1.785 CV 1 OR { 204} (( segid " " and resid 7 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 205} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG11)) 2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.42990E-02 ppm1 3.887 ppm2 1.546 CV 1 OR { 205} (( segid " " and resid 7 and name HA )) ( segid " " and resid 2 and name HB% ) OR { 205} (( segid " " and resid 7 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 208} (( segid " " and resid 7 and name HA )) ( segid " " and resid 7 and name HG2%) 2.300 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.71847E-02 ppm1 3.887 ppm2 0.554 CV 1 OR { 208} (( segid " " and resid 7 and name HA )) ( segid " " and resid 7 and name HD1%) OR { 208} (( segid " " and resid 7 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 211} (( segid " " and resid 76 and name HB )) ( segid " " and resid 7 and name HD1%) 1.700 0.400 0.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.16241E-01 ppm1 1.785 ppm2 0.545 CV 1 OR { 211} (( segid " " and resid 76 and name HB )) ( segid " " and resid 76 and name HG2%) OR { 211} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HG2%) OR { 211} (( segid " " and resid 76 and name HB )) ( segid " " and resid 7 and name HG2%) OR { 211} (( segid " " and resid 7 and name HB )) ( segid " " and resid 7 and name HD1%) ASSI { 212} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HG12)) 2.900 1.100 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.21126E-02 ppm1 1.787 ppm2 0.236 CV 1 OR { 212} (( segid " " and resid 76 and name HB )) (( segid " " and resid 7 and name HG12)) ASSI { 215} (( segid " " and resid 76 and name HB )) (( segid " " and resid 73 and name HA )) 2.600 0.800 0.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.41870E-02 ppm1 1.785 ppm2 3.693 CV 1 OR { 215} (( segid " " and resid 7 and name HB )) (( segid " " and resid 73 and name HA )) OR { 215} (( segid " " and resid 7 and name HB )) (( segid " " and resid 4 and name HA )) ASSI { 219} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.24198E-02 ppm1 0.234 ppm2 3.885 CV 1 OR { 219} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 77 and name HA )) ASSI { 220} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 7 and name HA )) 2.900 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.23051E-02 ppm1 1.546 ppm2 3.886 CV 1 OR { 220} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 77 and name HA )) ASSI { 222} (( segid " " and resid 7 and name HG12)) ( segid " " and resid 7 and name HD1%) 2.000 0.500 0.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.86208E-02 ppm1 0.235 ppm2 0.535 CV 1 OR { 222} (( segid " " and resid 7 and name HG12)) ( segid " " and resid 7 and name HG2%) OR { 222} (( segid " " and resid 7 and name HG12)) ( segid " " and resid 76 and name HG2%) ASSI { 223} (( segid " " and resid 7 and name HG11)) ( segid " " and resid 7 and name HD1%) 2.100 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.71933E-02 ppm1 1.545 ppm2 0.531 CV 1 OR { 223} (( segid " " and resid 7 and name HG11)) ( segid " " and resid 7 and name HG2%) OR { 223} (( segid " " and resid 7 and name HG11)) ( segid " " and resid 76 and name HG2%) ASSI { 225} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HN )) 4.700 2.700 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.37889E-03 ppm1 0.529 ppm2 9.232 CV 1 OR { 225} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 11 and name HN )) ASSI { 231} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 2 and name HA )) 4.300 2.300 1.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.35659E-03 ppm1 0.532 ppm2 4.839 CV 1 OR { 231} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 54 and name HA )) ASSI { 232} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 3 and name HA )) 4.900 3.000 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.37330E-03 ppm1 0.527 ppm2 4.431 CV 1 OR { 232} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HA )) OR { 232} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 78 and name HA )) ASSI { 236} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 76 and name HA )) 5.600 3.900 0.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.15738E-03 ppm1 0.521 ppm2 3.464 CV 1 OR { 236} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 54 and name HB1 )) ASSI { 240} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HB1 )) 5.100 3.200 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.33422E-03 ppm1 0.528 ppm2 2.507 CV 1 OR { 240} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 242} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HG2 )) 4.400 2.400 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.88350E-03 ppm1 0.530 ppm2 2.151 CV 1 OR { 242} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HB2 )) OR { 242} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 11 and name HB1 )) ASSI { 253} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 1.900 0.500 0.500 peak 253 spectrum 1 weight 0.10000E+01 volume 0.97545E-02 ppm1 0.565 ppm2 1.781 CV 1 OR { 253} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 76 and name HB )) ASSI { 264} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HN )) 2.600 0.800 0.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.42109E-02 ppm1 3.386 ppm2 8.392 CV 1 OR { 264} (( segid " " and resid 8 and name HA )) (( segid " " and resid 10 and name HN )) ASSI { 273} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HA )) 4.600 2.700 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.41689E-03 ppm1 3.391 ppm2 3.917 CV 1 OR { 273} (( segid " " and resid 8 and name HA )) (( segid " " and resid 5 and name HA )) OR { 273} (( segid " " and resid 8 and name HA )) (( segid " " and resid 10 and name HA2 )) ASSI { 275} (( segid " " and resid 8 and name HA )) (( segid " " and resid 73 and name HA )) 4.700 2.700 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.53489E-03 ppm1 3.385 ppm2 3.663 CV 1 OR { 275} (( segid " " and resid 8 and name HA )) (( segid " " and resid 4 and name HA )) ASSI { 276} (( segid " " and resid 8 and name HA )) (( segid " " and resid 28 and name HA )) 5.600 3.900 0.400 peak 276 spectrum 1 weight 0.10000E+01 volume 0.17486E-03 ppm1 3.389 ppm2 3.587 CV 1 OR { 276} (( segid " " and resid 8 and name HA )) (( segid " " and resid 26 and name HA )) OR { 276} (( segid " " and resid 8 and name HA )) (( segid " " and resid 23 and name HA )) ASSI { 279} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB1 )) 3.600 1.600 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.33226E-02 ppm1 3.386 ppm2 2.120 CV 1 OR { 279} (( segid " " and resid 8 and name HA )) (( segid " " and resid 4 and name HG2 )) ASSI { 280} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB )) 2.700 0.900 0.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.37068E-02 ppm1 3.386 ppm2 2.013 CV 1 OR { 280} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HG )) ASSI { 281} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HB )) 4.000 2.000 2.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.53457E-03 ppm1 3.390 ppm2 1.774 CV 1 OR { 281} (( segid " " and resid 8 and name HA )) (( segid " " and resid 28 and name HB1 )) OR { 281} (( segid " " and resid 8 and name HA )) (( segid " " and resid 76 and name HB )) OR { 281} (( segid " " and resid 8 and name HA )) (( segid " " and resid 28 and name HG )) ASSI { 282} (( segid " " and resid 8 and name HA )) ( segid " " and resid 9 and name HB% ) 4.900 3.000 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.48391E-03 ppm1 3.383 ppm2 1.522 CV 1 OR { 282} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HG11)) OR { 282} (( segid " " and resid 8 and name HA )) ( segid " " and resid 50 and name HB% ) OR { 282} (( segid " " and resid 8 and name HA )) ( segid " " and resid 2 and name HB% ) ASSI { 284} (( segid " " and resid 8 and name HA )) ( segid " " and resid 73 and name HG2%) 4.600 2.600 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.49337E-03 ppm1 3.385 ppm2 1.140 CV 1 OR { 284} (( segid " " and resid 8 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 286} (( segid " " and resid 8 and name HA )) ( segid " " and resid 12 and name HB% ) 4.300 2.300 1.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.47350E-03 ppm1 3.385 ppm2 1.687 CV 1 OR { 286} (( segid " " and resid 8 and name HA )) (( segid " " and resid 28 and name HB1 )) ASSI { 287} (( segid " " and resid 8 and name HA )) ( segid " " and resid 8 and name HG1%) 2.400 0.700 0.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.81238E-02 ppm1 3.386 ppm2 0.892 CV 1 OR { 287} (( segid " " and resid 8 and name HA )) ( segid " " and resid 11 and name HD1%) ASSI { 289} (( segid " " and resid 8 and name HA )) ( segid " " and resid 7 and name HG2%) 3.200 1.300 1.300 peak 289 spectrum 1 weight 0.10000E+01 volume 0.14641E-02 ppm1 3.385 ppm2 0.558 CV 1 OR { 289} (( segid " " and resid 8 and name HA )) ( segid " " and resid 7 and name HD1%) OR { 289} (( segid " " and resid 8 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 294} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 70 and name HA1 )) 5.800 4.300 0.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.16553E-03 ppm1 1.044 ppm2 4.038 CV 1 OR { 294} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 12 and name HA )) OR { 294} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 10 and name HA1 )) ASSI { 295} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 5 and name HA )) 3.500 1.500 1.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.21709E-02 ppm1 1.045 ppm2 3.932 CV 1 OR { 295} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HA )) ASSI { 297} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HA )) 3.400 1.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.20799E-02 ppm1 1.045 ppm2 3.668 CV 1 OR { 297} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 73 and name HA )) ASSI { 298} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 28 and name HA )) 3.700 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.74615E-03 ppm1 1.044 ppm2 3.578 CV 1 OR { 298} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 26 and name HA )) ASSI { 302} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 27 and name HA )) 3.400 1.500 1.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.92740E-03 ppm1 0.900 ppm2 4.633 CV 1 OR { 302} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 25 and name HA )) OR { 302} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 27 and name HA )) ASSI { 305} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HB )) 2.200 0.600 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.95503E-02 ppm1 0.900 ppm2 2.023 CV 1 OR { 305} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 48 and name HB )) OR { 305} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 63 and name HB )) OR { 305} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 59 and name HG1 )) OR { 305} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 30 and name HB1 )) ASSI { 306} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HB )) 2.900 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.34134E-02 ppm1 1.044 ppm2 1.781 CV 1 OR { 306} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 28 and name HB1 )) OR { 306} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 28 and name HG )) OR { 306} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 76 and name HB )) ASSI { 308} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HG11)) 4.600 2.700 1.400 peak 308 spectrum 1 weight 0.10000E+01 volume 0.63026E-03 ppm1 1.041 ppm2 1.545 CV 1 OR { 308} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 72 and name HB% ) OR { 308} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 9 and name HB% ) OR { 308} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 27 and name HB2 )) OR { 308} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 2 and name HB% ) ASSI { 309} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 28 and name HB2 )) 4.100 2.100 1.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.72102E-03 ppm1 1.044 ppm2 1.481 CV 1 OR { 309} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 9 and name HB% ) OR { 309} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 50 and name HB% ) ASSI { 310} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 69 and name HB )) 4.500 2.600 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.37180E-03 ppm1 1.045 ppm2 2.311 CV 1 OR { 310} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 26 and name HB )) ASSI { 313} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HB )) 2.100 0.600 0.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.89757E-02 ppm1 1.044 ppm2 2.016 CV 1 OR { 313} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HB2 )) ASSI { 314} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 69 and name HG2%) 3.500 1.500 1.500 peak 314 spectrum 1 weight 0.10000E+01 volume 0.38824E-02 ppm1 1.044 ppm2 0.640 CV 1 OR { 314} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 76 and name HD1%) ASSI { 324} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HN )) 3.900 1.900 1.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.13113E-02 ppm1 1.045 ppm2 7.727 CV 1 OR { 324} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 6 and name HN )) ASSI { 327} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 5 and name HN )) 4.500 2.500 1.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.25715E-03 ppm1 1.042 ppm2 8.879 CV 1 OR { 327} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 12 and name HN )) ASSI { 333} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 12 and name HN )) 4.500 2.500 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.42771E-03 ppm1 0.894 ppm2 8.943 CV 1 OR { 333} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 12 and name HN )) ASSI { 342} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HN )) 3.300 1.400 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.15572E-02 ppm1 4.225 ppm2 8.393 CV 1 OR { 342} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HN )) ASSI { 348} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HN )) 4.200 2.200 1.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.99299E-03 ppm1 1.519 ppm2 7.922 CV 1 OR { 348} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 13 and name HN )) OR { 348} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 48 and name HN )) ASSI { 352} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HA )) 3.600 1.700 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.97125E-03 ppm1 4.234 ppm2 3.950 CV 1 OR { 352} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HA )) OR { 352} (( segid " " and resid 9 and name HA )) (( segid " " and resid 13 and name HA )) OR { 352} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HA )) ASSI { 353} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HB% ) 2.000 0.500 0.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.23965E-01 ppm1 4.232 ppm2 1.523 CV 1 OR { 353} (( segid " " and resid 49 and name HA )) ( segid " " and resid 49 and name HB% ) ASSI { 355} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG2 )) 4.000 2.000 2.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.67032E-03 ppm1 4.242 ppm2 2.251 CV 1 OR { 355} (( segid " " and resid 9 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 355} (( segid " " and resid 9 and name HA )) (( segid " " and resid 13 and name HB1 )) OR { 355} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HG2 )) OR { 355} (( segid " " and resid 49 and name HA )) (( segid " " and resid 47 and name HB )) OR { 355} (( segid " " and resid 9 and name HA )) (( segid " " and resid 15 and name HB )) ASSI { 356} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25838E-02 ppm1 4.242 ppm2 2.133 CV 1 OR { 356} (( segid " " and resid 49 and name HA )) (( segid " " and resid 14 and name HB )) OR { 356} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB2 )) OR { 356} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 357} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.900 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.25686E-02 ppm1 4.242 ppm2 2.045 CV 1 OR { 357} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HB )) OR { 357} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HB )) ASSI { 358} (( segid " " and resid 49 and name HA )) ( segid " " and resid 14 and name HG2%) 4.500 2.500 1.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.97303E-03 ppm1 4.238 ppm2 1.080 CV 1 OR { 358} (( segid " " and resid 49 and name HA )) (( segid " " and resid 14 and name HG12)) OR { 358} (( segid " " and resid 9 and name HA )) ( segid " " and resid 8 and name HG2%) ASSI { 359} (( segid " " and resid 49 and name HA )) ( segid " " and resid 48 and name HG1%) 3.300 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.17926E-02 ppm1 4.241 ppm2 0.995 CV 1 OR { 359} (( segid " " and resid 9 and name HA )) ( segid " " and resid 8 and name HG2%) OR { 359} (( segid " " and resid 9 and name HA )) ( segid " " and resid 23 and name HG1%) ASSI { 360} (( segid " " and resid 9 and name HA )) ( segid " " and resid 8 and name HG1%) 3.200 1.300 1.300 peak 360 spectrum 1 weight 0.10000E+01 volume 0.18523E-02 ppm1 4.225 ppm2 0.894 CV 1 OR { 360} (( segid " " and resid 9 and name HA )) ( segid " " and resid 26 and name HG2%) OR { 360} (( segid " " and resid 49 and name HA )) ( segid " " and resid 47 and name HG1%) OR { 360} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HG1 )) OR { 360} (( segid " " and resid 9 and name HA )) ( segid " " and resid 11 and name HD1%) OR { 360} (( segid " " and resid 49 and name HA )) ( segid " " and resid 11 and name HD2%) ASSI { 361} (( segid " " and resid 49 and name HA )) ( segid " " and resid 14 and name HD1%) 4.400 2.500 1.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.73578E-03 ppm1 4.243 ppm2 0.756 CV 1 OR { 361} (( segid " " and resid 9 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 371} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 14 and name HN )) 5.500 3.800 0.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.22791E-03 ppm1 4.085 ppm2 8.196 CV 1 OR { 371} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 53 and name HN )) ASSI { 372} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 14 and name HN )) 5.100 3.300 0.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.23011E-03 ppm1 3.878 ppm2 8.192 CV 1 OR { 372} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HN )) ASSI { 382} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 11 and name HA )) 4.300 2.300 1.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.41405E-03 ppm1 4.074 ppm2 4.252 CV 1 OR { 382} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 9 and name HA )) ASSI { 383} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 9 and name HA )) 4.200 2.200 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.46788E-03 ppm1 3.875 ppm2 4.254 CV 1 OR { 383} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 11 and name HA )) ASSI { 397} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 11 and name HB1 )) 6.000 5.500 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.71582E-04 ppm1 4.073 ppm2 2.117 CV 1 OR { 397} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 14 and name HB )) ASSI { 399} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 14 and name HB )) 6.000 4.700 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.12472E-03 ppm1 3.878 ppm2 2.114 CV 1 OR { 399} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 11 and name HB1 )) ASSI { 401} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 11 and name HG )) 4.400 2.400 1.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.42400E-03 ppm1 4.054 ppm2 1.990 CV 1 OR { 401} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 74 and name HB1 )) OR { 401} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 14 and name HG11)) ASSI { 402} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 14 and name HG11)) 4.600 2.600 1.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.40110E-03 ppm1 3.873 ppm2 1.982 CV 1 OR { 402} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 11 and name HG )) ASSI { 403} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 28 and name HD2%) 5.400 3.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.20037E-03 ppm1 4.060 ppm2 0.874 CV 1 OR { 403} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 53 and name HG1 )) OR { 403} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 11 and name HD2%) OR { 403} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 11 and name HD1%) ASSI { 404} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HG1 )) 5.500 3.800 0.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.25834E-03 ppm1 3.869 ppm2 0.874 CV 1 OR { 404} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 11 and name HD2%) OR { 404} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 11 and name HD1%) OR { 404} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 8 and name HG1%) ASSI { 405} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 9 and name HB% ) 4.300 2.300 1.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.78479E-03 ppm1 4.068 ppm2 1.517 CV 1 OR { 405} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 50 and name HB% ) OR { 405} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 7 and name HG11)) ASSI { 406} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 9 and name HB% ) 4.000 2.000 2.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.78182E-03 ppm1 3.875 ppm2 1.517 CV 1 OR { 406} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 50 and name HB% ) OR { 406} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 7 and name HG11)) ASSI { 407} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 53 and name HB2 )) 5.000 3.100 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.33018E-03 ppm1 4.066 ppm2 1.051 CV 1 OR { 407} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 14 and name HG12)) OR { 407} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 8 and name HG2%) OR { 407} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 14 and name HG2%) ASSI { 408} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 14 and name HD1%) 4.400 2.500 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.34091E-03 ppm1 4.063 ppm2 0.732 CV 1 OR { 408} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 26 and name HG1%) ASSI { 409} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 14 and name HD1%) 4.500 2.600 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.34594E-03 ppm1 3.873 ppm2 0.747 CV 1 OR { 409} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 26 and name HG1%) ASSI { 427} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 54 and name HD% ) 3.400 1.400 1.400 peak 427 spectrum 1 weight 0.10000E+01 volume 0.91580E-03 ppm1 0.853 ppm2 7.470 CV 1 OR { 427} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HZ )) OR { 427} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 54 and name HZ )) OR { 427} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 54 and name HD% ) OR { 427} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 54 and name HD% ) ASSI { 428} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 54 and name HE% ) 3.600 1.600 1.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.99834E-03 ppm1 0.852 ppm2 7.129 CV 1 OR { 428} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 54 and name HE% ) ASSI { 429} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 32 and name HE% ) 3.600 1.600 1.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.62547E-03 ppm1 0.850 ppm2 6.987 CV 1 OR { 429} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 79 and name HD2 )) ASSI { 430} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 75 and name HD% ) 2.700 0.900 0.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.16908E-02 ppm1 0.852 ppm2 6.845 CV 1 OR { 430} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 32 and name HZ )) ASSI { 435} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 54 and name HD% ) 3.800 1.800 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.13537E-02 ppm1 0.875 ppm2 7.472 CV 1 OR { 435} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 54 and name HZ )) OR { 435} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HN )) ASSI { 436} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 54 and name HE% ) 2.600 0.900 0.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 0.876 ppm2 7.124 CV 1 OR { 436} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HN )) ASSI { 437} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 32 and name HE% ) 4.100 2.100 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.94179E-03 ppm1 0.877 ppm2 6.998 CV 1 OR { 437} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 32 and name HE% ) OR { 437} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 65 and name HD21)) ASSI { 438} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 32 and name HZ )) 4.000 2.000 2.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.13692E-02 ppm1 0.875 ppm2 6.848 CV 1 OR { 438} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 75 and name HD% ) OR { 438} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 32 and name HZ )) ASSI { 440} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 12 and name HN )) 5.700 4.100 0.300 peak 440 spectrum 1 weight 0.10000E+01 volume 0.21761E-03 ppm1 0.871 ppm2 8.892 CV 1 OR { 440} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 51 and name HN )) ASSI { 442} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 10 and name HN )) 5.800 4.300 0.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.17362E-03 ppm1 0.871 ppm2 8.407 CV 1 OR { 442} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 8 and name HN )) OR { 442} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 7 and name HN )) ASSI { 443} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 10 and name HN )) 5.700 4.000 0.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.21834E-03 ppm1 0.870 ppm2 8.370 CV 1 OR { 443} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 8 and name HN )) OR { 443} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 7 and name HN )) OR { 443} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 43 and name HN )) OR { 443} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 71 and name HN )) ASSI { 444} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 14 and name HN )) 5.000 3.200 1.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.41900E-03 ppm1 0.874 ppm2 8.191 CV 1 OR { 444} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 67 and name HN )) OR { 444} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 72 and name HN )) OR { 444} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 53 and name HN )) OR { 444} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 72 and name HN )) ASSI { 450} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HA )) 4.400 2.400 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.36397E-03 ppm1 2.127 ppm2 4.054 CV 1 OR { 450} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 10 and name HA1 )) ASSI { 451} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 8 and name HA )) 3.800 1.800 1.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.22044E-02 ppm1 2.122 ppm2 3.382 CV 1 OR { 451} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 69 and name HA )) ASSI { 452} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.11496E-02 ppm1 1.271 ppm2 3.387 CV 1 OR { 452} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 69 and name HA )) ASSI { 454} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 57 and name HA )) 5.600 4.000 0.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.23229E-03 ppm1 0.850 ppm2 4.749 CV 1 OR { 454} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 57 and name HA )) ASSI { 455} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 58 and name HA )) 3.400 1.400 1.400 peak 455 spectrum 1 weight 0.10000E+01 volume 0.20669E-02 ppm1 0.855 ppm2 4.523 CV 1 OR { 455} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 55 and name HA )) ASSI { 457} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 10 and name HA1 )) 4.400 2.400 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.54955E-03 ppm1 0.850 ppm2 4.098 CV 1 OR { 457} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 72 and name HA )) OR { 457} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 72 and name HA )) OR { 457} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 10 and name HA1 )) OR { 457} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 12 and name HA )) OR { 457} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 52 and name HA )) ASSI { 458} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 10 and name HA1 )) 4.700 2.800 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.35267E-03 ppm1 0.850 ppm2 4.044 CV 1 OR { 458} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 10 and name HA1 )) OR { 458} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 12 and name HA )) ASSI { 459} (( segid " " and resid 11 and name HG )) (( segid " " and resid 7 and name HA )) 4.600 2.600 1.400 peak 459 spectrum 1 weight 0.10000E+01 volume 0.32002E-03 ppm1 1.982 ppm2 3.895 CV 1 OR { 459} (( segid " " and resid 11 and name HG )) (( segid " " and resid 10 and name HA2 )) ASSI { 460} (( segid " " and resid 11 and name HG )) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.57600E-03 ppm1 1.987 ppm2 3.384 CV 1 OR { 460} (( segid " " and resid 11 and name HG )) (( segid " " and resid 69 and name HA )) ASSI { 463} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 73 and name HA )) 5.900 4.400 0.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.14489E-03 ppm1 0.875 ppm2 3.636 CV 1 OR { 463} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 15 and name HA )) OR { 463} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 42 and name HB2 )) OR { 463} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 73 and name HA )) ASSI { 464} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 46 and name HA )) 4.600 2.600 1.400 peak 464 spectrum 1 weight 0.10000E+01 volume 0.60076E-03 ppm1 0.877 ppm2 3.390 CV 1 OR { 464} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 8 and name HA )) OR { 464} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 69 and name HA )) OR { 464} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 54 and name HB1 )) OR { 464} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 69 and name HA )) ASSI { 467} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 10 and name HA1 )) 5.800 4.300 0.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.20720E-03 ppm1 0.872 ppm2 4.092 CV 1 OR { 467} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 72 and name HA )) OR { 467} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 72 and name HA )) ASSI { 468} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 10 and name HA1 )) 5.200 3.400 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.20745E-03 ppm1 0.875 ppm2 4.047 CV 1 OR { 468} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 12 and name HA )) OR { 468} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 32 and name HA )) ASSI { 469} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 50 and name HA )) 4.100 2.100 1.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.50684E-03 ppm1 0.873 ppm2 3.961 CV 1 OR { 469} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 43 and name HA )) OR { 469} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HA )) OR { 469} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 43 and name HA )) ASSI { 470} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 7 and name HA )) 5.400 3.700 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.37858E-03 ppm1 0.875 ppm2 3.881 CV 1 OR { 470} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 10 and name HA2 )) ASSI { 471} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 10 and name HA2 )) 5.400 3.600 0.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.25318E-03 ppm1 0.874 ppm2 3.832 CV 1 OR { 471} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 59 and name HD2 )) OR { 471} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 472} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 472 spectrum 1 weight 0.10000E+01 volume 0.28835E-02 ppm1 0.850 ppm2 3.657 CV 1 OR { 472} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 73 and name HA )) OR { 472} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 4 and name HA )) ASSI { 473} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 8 and name HA )) 2.800 1.000 1.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.27672E-02 ppm1 0.851 ppm2 3.386 CV 1 OR { 473} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 69 and name HA )) ASSI { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HG2 )) 4.500 2.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.50616E-03 ppm1 4.258 ppm2 2.287 CV 1 OR { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 46 and name HB )) OR { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HB )) OR { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HB1 )) OR { 474} (( segid " " and resid 41 and name HA )) (( segid " " and resid 45 and name HG2 )) OR { 474} (( segid " " and resid 41 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 474} (( segid " " and resid 41 and name HA )) (( segid " " and resid 43 and name HG2 )) OR { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 26 and name HB )) OR { 474} (( segid " " and resid 41 and name HA )) (( segid " " and resid 46 and name HB )) OR { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 43 and name HG2 )) OR { 474} (( segid " " and resid 41 and name HA )) (( segid " " and resid 45 and name HB1 )) OR { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 474} (( segid " " and resid 11 and name HA )) (( segid " " and resid 40 and name H2A )) ASSI { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 69 and name HB )) 4.300 2.300 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.96289E-03 ppm1 0.855 ppm2 2.249 CV 1 OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 40 and name H2B )) OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 40 and name H2A )) OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 43 and name HG2 )) OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 46 and name HB )) OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 43 and name HG1 )) OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 15 and name HB )) OR { 477} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 40 and name H2B )) OR { 477} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 40 and name H2A )) OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 4 and name HG1 )) OR { 477} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 13 and name HB1 )) ASSI { 480} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HB1 )) 2.500 0.800 0.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.30354E-02 ppm1 0.875 ppm2 2.109 CV 1 OR { 480} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 14 and name HB )) ASSI { 485} (( segid " " and resid 11 and name HG )) ( segid " " and resid 72 and name HB% ) 4.600 2.600 1.400 peak 485 spectrum 1 weight 0.10000E+01 volume 0.56622E-03 ppm1 1.989 ppm2 1.613 CV 1 OR { 485} (( segid " " and resid 11 and name HG )) ( segid " " and resid 2 and name HB% ) ASSI { 491} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HG2%) 3.900 1.900 1.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.18632E-02 ppm1 4.253 ppm2 1.067 CV 1 OR { 491} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG12)) OR { 491} (( segid " " and resid 11 and name HA )) ( segid " " and resid 8 and name HG2%) ASSI { 492} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.28955E-02 ppm1 0.852 ppm2 1.052 CV 1 OR { 492} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 8 and name HG2%) ASSI { 494} (( segid " " and resid 11 and name HG )) ( segid " " and resid 14 and name HD1%) 4.100 2.100 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.98509E-03 ppm1 1.985 ppm2 0.746 CV 1 OR { 494} (( segid " " and resid 11 and name HG )) ( segid " " and resid 26 and name HG1%) ASSI { 495} (( segid " " and resid 11 and name HG )) ( segid " " and resid 76 and name HD1%) 4.000 2.000 2.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.90972E-03 ppm1 1.985 ppm2 0.633 CV 1 OR { 495} (( segid " " and resid 11 and name HG )) ( segid " " and resid 40 and name H6% ) OR { 495} (( segid " " and resid 11 and name HG )) ( segid " " and resid 46 and name HG1%) ASSI { 496} (( segid " " and resid 11 and name HG )) ( segid " " and resid 7 and name HG2%) 2.800 1.000 1.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.17168E-02 ppm1 1.988 ppm2 0.565 CV 1 OR { 496} (( segid " " and resid 11 and name HG )) ( segid " " and resid 76 and name HD1%) OR { 496} (( segid " " and resid 11 and name HG )) ( segid " " and resid 76 and name HG2%) OR { 496} (( segid " " and resid 11 and name HG )) ( segid " " and resid 7 and name HD1%) ASSI { 497} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 40 and name H6% ) 2.200 0.600 0.600 peak 497 spectrum 1 weight 0.10000E+01 volume 0.65973E-02 ppm1 0.876 ppm2 0.624 CV 1 OR { 497} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 46 and name HG1%) OR { 497} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 40 and name H6% ) OR { 497} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 76 and name HD1%) OR { 497} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 66 and name HD2%) ASSI { 499} (( segid " " and resid 11 and name HA )) ( segid " " and resid 46 and name HG1%) 4.100 2.100 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.53827E-03 ppm1 4.252 ppm2 0.632 CV 1 OR { 499} (( segid " " and resid 11 and name HA )) ( segid " " and resid 40 and name H6% ) OR { 499} (( segid " " and resid 11 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 500} (( segid " " and resid 11 and name HA )) ( segid " " and resid 7 and name HG2%) 5.700 4.000 0.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.22118E-03 ppm1 4.247 ppm2 0.554 CV 1 OR { 500} (( segid " " and resid 11 and name HA )) ( segid " " and resid 58 and name HD1%) OR { 500} (( segid " " and resid 60 and name HA )) ( segid " " and resid 58 and name HD1%) OR { 500} (( segid " " and resid 11 and name HA )) ( segid " " and resid 76 and name HG2%) OR { 500} (( segid " " and resid 60 and name HA )) ( segid " " and resid 66 and name HD2%) OR { 500} (( segid " " and resid 11 and name HA )) ( segid " " and resid 7 and name HD1%) ASSI { 501} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 58 and name HD1%) 2.100 0.500 0.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.11341E-01 ppm1 0.854 ppm2 0.571 CV 1 OR { 501} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 7 and name HG2%) OR { 501} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 76 and name HD1%) OR { 501} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 76 and name HD1%) OR { 501} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 76 and name HG2%) OR { 501} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 76 and name HG2%) OR { 501} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 7 and name HD1%) ASSI { 517} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 9 and name HN )) 4.000 2.000 2.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.67055E-03 ppm1 1.687 ppm2 7.734 CV 1 OR { 517} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 25 and name HN )) ASSI { 523} (( segid " " and resid 12 and name HA )) (( segid " " and resid 23 and name HA )) 4.500 2.600 1.500 peak 523 spectrum 1 weight 0.10000E+01 volume 0.65201E-03 ppm1 4.056 ppm2 3.615 CV 1 OR { 523} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HA )) ASSI { 525} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB )) 2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.35006E-02 ppm1 4.056 ppm2 2.262 CV 1 OR { 525} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HG2 )) OR { 525} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HB1 )) ASSI { 526} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB1 )) 4.000 2.000 2.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.51643E-03 ppm1 4.053 ppm2 2.119 CV 1 OR { 526} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HB )) ASSI { 527} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HB )) 4.600 2.700 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.42195E-03 ppm1 4.060 ppm2 2.065 CV 1 OR { 527} (( segid " " and resid 12 and name HA )) (( segid " " and resid 23 and name HB )) OR { 527} (( segid " " and resid 12 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 528} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HG11)) 4.900 3.000 1.100 peak 528 spectrum 1 weight 0.10000E+01 volume 0.41055E-03 ppm1 4.064 ppm2 2.025 CV 1 OR { 528} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HG )) OR { 528} (( segid " " and resid 12 and name HA )) (( segid " " and resid 23 and name HB )) OR { 528} (( segid " " and resid 12 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 531} (( segid " " and resid 12 and name HA )) (( segid " " and resid 21 and name HB )) 5.400 3.700 0.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.18338E-03 ppm1 4.051 ppm2 1.575 CV 1 OR { 531} (( segid " " and resid 12 and name HA )) ( segid " " and resid 19 and name HB% ) OR { 531} (( segid " " and resid 12 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 532} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB2 )) 4.600 2.700 1.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.34854E-03 ppm1 4.056 ppm2 1.278 CV 1 OR { 532} (( segid " " and resid 12 and name HA )) (( segid " " and resid 21 and name HG12)) OR { 532} (( segid " " and resid 12 and name HA )) (( segid " " and resid 21 and name HG11)) ASSI { 534} (( segid " " and resid 12 and name HA )) ( segid " " and resid 26 and name HG2%) 2.100 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.69997E-02 ppm1 4.055 ppm2 0.928 CV 1 OR { 534} (( segid " " and resid 12 and name HA )) ( segid " " and resid 8 and name HG1%) ASSI { 535} (( segid " " and resid 12 and name HA )) ( segid " " and resid 26 and name HG1%) 2.500 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.71847E-02 ppm1 4.056 ppm2 0.737 CV 1 OR { 535} (( segid " " and resid 12 and name HA )) ( segid " " and resid 36 and name HD2%) ASSI { 536} (( segid " " and resid 12 and name HA )) ( segid " " and resid 46 and name HG1%) 4.900 3.100 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.59262E-03 ppm1 4.057 ppm2 0.623 CV 1 OR { 536} (( segid " " and resid 12 and name HA )) ( segid " " and resid 36 and name HD1%) OR { 536} (( segid " " and resid 12 and name HA )) ( segid " " and resid 69 and name HG2%) ASSI { 537} (( segid " " and resid 12 and name HA )) (( segid " " and resid 16 and name HB2 )) 5.600 3.900 0.400 peak 537 spectrum 1 weight 0.10000E+01 volume 0.18336E-03 ppm1 4.062 ppm2 2.737 CV 1 OR { 537} (( segid " " and resid 12 and name HA )) (( segid " " and resid 53 and name HD2 )) ASSI { 540} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 26 and name HB )) 2.200 0.600 0.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.72098E-02 ppm1 1.688 ppm2 2.335 CV 1 OR { 540} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HB1 )) ASSI { 541} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 15 and name HB )) 4.500 2.500 1.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.64187E-03 ppm1 1.688 ppm2 2.222 CV 1 OR { 541} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HB2 )) ASSI { 542} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HB1 )) 4.100 2.100 1.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 1.687 ppm2 2.100 CV 1 OR { 542} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 14 and name HB )) OR { 542} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 30 and name HB1 )) ASSI { 543} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 23 and name HB )) 3.000 1.100 1.100 peak 543 spectrum 1 weight 0.10000E+01 volume 0.36508E-02 ppm1 1.688 ppm2 2.042 CV 1 OR { 543} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 24 and name HB2 )) OR { 543} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 30 and name HB1 )) ASSI { 544} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HG )) 4.300 2.300 1.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.10353E-02 ppm1 1.686 ppm2 1.970 CV 1 OR { 544} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 14 and name HG11)) OR { 544} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 24 and name HB2 )) OR { 544} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 22 and name HG2 )) ASSI { 546} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 26 and name HG2%) 2.300 0.700 0.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.81832E-02 ppm1 1.685 ppm2 0.954 CV 1 OR { 546} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 23 and name HG1%) ASSI { 547} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 21 and name HG12)) 6.000 4.700 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.16407E-03 ppm1 1.687 ppm2 1.333 CV 1 OR { 547} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 21 and name HG11)) OR { 547} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 27 and name HG1 )) OR { 547} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 27 and name HG2 )) OR { 547} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 30 and name HB2 )) ASSI { 551} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 69 and name HG2%) 6.000 4.700 0.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.26985E-03 ppm1 1.689 ppm2 0.628 CV 1 OR { 551} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 36 and name HD1%) OR { 551} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 46 and name HG1%) ASSI { 554} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HN )) 4.500 2.600 1.500 peak 554 spectrum 1 weight 0.10000E+01 volume 0.31875E-03 ppm1 3.949 ppm2 8.808 CV 1 OR { 554} (( segid " " and resid 17 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 555} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) 3.300 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.16296E-02 ppm1 3.944 ppm2 8.691 CV 1 OR { 555} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HN )) ASSI { 556} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) 3.200 1.300 1.300 peak 556 spectrum 1 weight 0.10000E+01 volume 0.15178E-02 ppm1 3.947 ppm2 8.179 CV 1 OR { 556} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 557} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HD22)) 4.700 2.800 1.300 peak 557 spectrum 1 weight 0.10000E+01 volume 0.14601E-03 ppm1 3.947 ppm2 8.087 CV 1 OR { 557} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HD22)) ASSI { 564} (( segid " " and resid 13 and name HG1 )) (( segid " " and resid 10 and name HA1 )) 5.300 3.500 0.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.43755E-03 ppm1 2.616 ppm2 4.062 CV 1 OR { 564} (( segid " " and resid 13 and name HG1 )) (( segid " " and resid 12 and name HA )) ASSI { 567} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HA )) 3.400 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.32068E-02 ppm1 2.306 ppm2 3.943 CV 1 OR { 567} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 42 and name HB1 )) ASSI { 568} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 10 and name HA2 )) 3.500 1.500 1.500 peak 568 spectrum 1 weight 0.10000E+01 volume 0.32653E-03 ppm1 2.307 ppm2 3.833 CV 1 OR { 568} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 14 and name HA )) ASSI { 571} (( segid " " and resid 13 and name HA )) (( segid " " and resid 23 and name HA )) 4.900 3.000 1.100 peak 571 spectrum 1 weight 0.10000E+01 volume 0.26580E-03 ppm1 3.940 ppm2 3.602 CV 1 OR { 571} (( segid " " and resid 17 and name HA )) (( segid " " and resid 15 and name HA )) OR { 571} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HA )) ASSI { 572} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.500 1.500 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.21470E-02 ppm1 3.945 ppm2 3.105 CV 1 OR { 572} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) ASSI { 573} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.600 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.43668E-02 ppm1 3.946 ppm2 2.750 CV 1 OR { 573} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HB2 )) ASSI { 575} (( segid " " and resid 13 and name HA )) ( segid " " and resid 12 and name HB% ) 4.200 2.200 1.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.61190E-03 ppm1 3.941 ppm2 1.689 CV 1 OR { 575} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HG11)) ASSI { 576} (( segid " " and resid 13 and name HA )) ( segid " " and resid 23 and name HG2%) 2.800 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.45676E-02 ppm1 3.943 ppm2 0.983 CV 1 OR { 576} (( segid " " and resid 13 and name HA )) ( segid " " and resid 23 and name HG1%) OR { 576} (( segid " " and resid 17 and name HA )) ( segid " " and resid 18 and name HG2%) OR { 576} (( segid " " and resid 17 and name HA )) ( segid " " and resid 15 and name HG1%) OR { 576} (( segid " " and resid 13 and name HA )) ( segid " " and resid 15 and name HG1%) OR { 576} (( segid " " and resid 17 and name HA )) ( segid " " and resid 46 and name HG2%) ASSI { 577} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 23 and name HG2%) 4.800 2.800 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.72043E-03 ppm1 2.619 ppm2 0.983 CV 1 OR { 577} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 46 and name HG2%) OR { 577} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 15 and name HG1%) OR { 577} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 23 and name HG1%) OR { 577} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 21 and name HG2%) ASSI { 580} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 49 and name HB% ) 5.000 3.100 1.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.50712E-03 ppm1 2.620 ppm2 1.533 CV 1 OR { 580} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 50 and name HB% ) ASSI { 586} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HN )) 5.400 3.700 0.600 peak 586 spectrum 1 weight 0.10000E+01 volume 0.27001E-03 ppm1 3.822 ppm2 7.929 CV 1 OR { 586} (( segid " " and resid 14 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 591} (( segid " " and resid 14 and name HB )) (( segid " " and resid 46 and name HN )) 5.500 3.800 0.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.30994E-03 ppm1 2.104 ppm2 8.060 CV 1 OR { 591} (( segid " " and resid 14 and name HB )) (( segid " " and resid 16 and name HD22)) ASSI { 592} (( segid " " and resid 14 and name HB )) (( segid " " and resid 13 and name HN )) 5.600 3.900 0.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.20994E-03 ppm1 2.100 ppm2 7.941 CV 1 OR { 592} (( segid " " and resid 14 and name HB )) (( segid " " and resid 49 and name HN )) ASSI { 617} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 45 and name HA )) 5.300 3.500 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.28837E-03 ppm1 1.067 ppm2 4.060 CV 1 OR { 617} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 12 and name HA )) OR { 617} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 10 and name HA1 )) ASSI { 620} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HA )) 2.400 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.50657E-02 ppm1 0.745 ppm2 4.250 CV 1 OR { 620} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 621} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 10 and name HA1 )) 4.600 2.600 1.400 peak 621 spectrum 1 weight 0.10000E+01 volume 0.34502E-03 ppm1 0.752 ppm2 4.072 CV 1 OR { 621} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 12 and name HA )) OR { 621} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HA )) ASSI { 627} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HG2 )) 3.300 1.300 1.300 peak 627 spectrum 1 weight 0.10000E+01 volume 0.29746E-02 ppm1 3.818 ppm2 2.264 CV 1 OR { 627} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB1 )) OR { 627} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB1 )) OR { 627} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HG2 )) OR { 627} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 627} (( segid " " and resid 14 and name HA )) (( segid " " and resid 46 and name HB )) ASSI { 628} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB )) 2.600 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.44387E-02 ppm1 3.819 ppm2 2.114 CV 1 OR { 628} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 632} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 46 and name HB )) 4.400 2.400 1.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.95745E-03 ppm1 1.068 ppm2 2.275 CV 1 OR { 632} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 45 and name HB1 )) OR { 632} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 17 and name HG2 )) OR { 632} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 17 and name HB1 )) OR { 632} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HB )) OR { 632} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 13 and name HG2 )) ASSI { 633} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HB )) 2.200 0.600 0.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.53822E-02 ppm1 1.070 ppm2 2.101 CV 1 OR { 633} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 17 and name HB2 )) ASSI { 639} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB )) 2.300 0.700 0.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.65287E-02 ppm1 0.745 ppm2 2.102 CV 1 OR { 639} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HB1 )) ASSI { 643} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HG11)) 3.900 1.900 1.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.77017E-03 ppm1 3.818 ppm2 1.640 CV 1 OR { 643} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HB )) OR { 643} (( segid " " and resid 14 and name HA )) ( segid " " and resid 12 and name HB% ) ASSI { 644} (( segid " " and resid 14 and name HA )) ( segid " " and resid 49 and name HB% ) 4.500 2.500 1.500 peak 644 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 3.819 ppm2 1.527 CV 1 OR { 644} (( segid " " and resid 14 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 645} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HG12)) 5.100 3.200 0.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.37935E-03 ppm1 3.817 ppm2 1.325 CV 1 OR { 645} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 650} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD1%) 3.700 1.700 1.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.25988E-02 ppm1 3.819 ppm2 0.750 CV 1 OR { 650} (( segid " " and resid 14 and name HA )) ( segid " " and resid 18 and name HD1%) ASSI { 651} (( segid " " and resid 14 and name HB )) ( segid " " and resid 49 and name HB% ) 6.000 4.500 0.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.12256E-03 ppm1 2.106 ppm2 1.541 CV 1 OR { 651} (( segid " " and resid 14 and name HB )) ( segid " " and resid 50 and name HB% ) ASSI { 656} (( segid " " and resid 14 and name HB )) ( segid " " and resid 14 and name HD1%) 2.400 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.45530E-02 ppm1 2.103 ppm2 0.744 CV 1 OR { 656} (( segid " " and resid 14 and name HB )) ( segid " " and resid 18 and name HD1%) ASSI { 658} (( segid " " and resid 14 and name HG11)) ( segid " " and resid 49 and name HB% ) 4.000 2.000 2.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.16499E-02 ppm1 1.990 ppm2 1.531 CV 1 OR { 658} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 9 and name HB% ) OR { 658} (( segid " " and resid 14 and name HG11)) ( segid " " and resid 50 and name HB% ) ASSI { 660} (( segid " " and resid 14 and name HG12)) ( segid " " and resid 49 and name HB% ) 3.000 1.100 1.100 peak 660 spectrum 1 weight 0.10000E+01 volume 0.21754E-02 ppm1 1.054 ppm2 1.528 CV 1 OR { 660} (( segid " " and resid 14 and name HG12)) ( segid " " and resid 50 and name HB% ) ASSI { 663} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 14 and name HD1%) 2.100 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.11407E-01 ppm1 1.069 ppm2 0.759 CV 1 OR { 663} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 18 and name HD1%) ASSI { 666} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 49 and name HB% ) 2.100 0.600 0.600 peak 666 spectrum 1 weight 0.10000E+01 volume 0.95691E-02 ppm1 0.745 ppm2 1.519 CV 1 OR { 666} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 50 and name HB% ) ASSI { 671} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HN )) 4.000 2.000 2.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.40124E-03 ppm1 3.598 ppm2 8.345 CV 1 OR { 671} (( segid " " and resid 15 and name HA )) (( segid " " and resid 42 and name HN )) ASSI { 672} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.100 1.200 1.200 peak 672 spectrum 1 weight 0.10000E+01 volume 0.16868E-02 ppm1 3.600 ppm2 8.201 CV 1 OR { 672} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HN )) ASSI { 673} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HN )) 4.900 3.100 1.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.35120E-03 ppm1 2.258 ppm2 8.922 CV 1 OR { 673} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name HN )) OR { 673} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name HN )) ASSI { 681} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HD22)) 5.100 3.300 0.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.38048E-03 ppm1 1.180 ppm2 8.074 CV 1 OR { 681} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 46 and name HN )) ASSI { 682} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 26 and name HN )) 5.900 4.300 0.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 1.178 ppm2 7.497 CV 1 OR { 682} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 54 and name HZ )) OR { 682} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 36 and name HN )) OR { 682} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 30 and name HN )) ASSI { 686} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 32 and name HZ )) 3.600 1.600 1.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.93854E-03 ppm1 1.178 ppm2 6.861 CV 1 OR { 686} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HD21)) ASSI { 689} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HN )) 4.500 2.500 1.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.22195E-03 ppm1 0.999 ppm2 8.527 CV 1 OR { 689} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 690} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 43 and name HN )) 4.000 2.000 2.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.46546E-03 ppm1 0.990 ppm2 8.371 CV 1 OR { 690} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 17 and name HN )) OR { 690} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 43 and name HN )) OR { 690} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 42 and name HN )) ASSI { 695} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 26 and name HN )) 6.000 4.700 0.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.16612E-03 ppm1 1.007 ppm2 7.489 CV 1 OR { 695} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 36 and name HN )) OR { 695} ( segid " " and resid 46 and name HG2%) ( segid " " and resid 54 and name HD% ) ASSI { 697} ( segid " " and resid 15 and name HG1%) ( segid " " and resid 32 and name HE% ) 2.800 1.000 1.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.15519E-02 ppm1 0.994 ppm2 6.989 CV 1 OR { 697} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 45 and name HN )) ASSI { 699} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HD21)) 4.500 2.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.33129E-03 ppm1 1.005 ppm2 6.842 CV 1 OR { 699} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 32 and name HZ )) ASSI { 702} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 3.500 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.85975E-03 ppm1 1.179 ppm2 4.255 CV 1 OR { 702} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 42 and name HA )) ASSI { 704} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 43 and name HA )) 4.300 2.400 1.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.66484E-03 ppm1 1.180 ppm2 3.953 CV 1 OR { 704} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 42 and name HB1 )) OR { 704} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 13 and name HA )) OR { 704} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 38 and name HA )) OR { 704} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 20 and name HA2 )) OR { 704} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HA )) ASSI { 705} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HA )) 5.900 4.300 0.100 peak 705 spectrum 1 weight 0.10000E+01 volume 0.14082E-03 ppm1 1.179 ppm2 3.856 CV 1 OR { 705} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 10 and name HA2 )) ASSI { 707} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 42 and name HB2 )) 5.300 3.500 0.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10954E-03 ppm1 1.177 ppm2 3.709 CV 1 OR { 707} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 22 and name HD2 )) ASSI { 709} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 46 and name HA )) 6.000 5.100 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.61720E-03 ppm1 1.181 ppm2 3.412 CV 1 OR { 709} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 69 and name HA )) ASSI { 714} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 42 and name HA )) 4.100 2.100 1.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.59491E-03 ppm1 1.005 ppm2 4.327 CV 1 OR { 714} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HA )) OR { 714} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 42 and name HA )) ASSI { 716} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 42 and name HA )) 4.500 2.600 1.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.34088E-03 ppm1 1.005 ppm2 4.241 CV 1 OR { 716} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 11 and name HA )) OR { 716} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 42 and name HA )) OR { 716} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 718} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) 4.000 2.000 2.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.13343E-02 ppm1 1.004 ppm2 4.061 CV 1 OR { 718} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 45 and name HA )) OR { 718} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 20 and name HA1 )) OR { 718} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 22 and name HD1 )) ASSI { 720} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 32 and name HB1 )) 5.700 4.000 0.300 peak 720 spectrum 1 weight 0.10000E+01 volume 0.25064E-03 ppm1 1.181 ppm2 3.124 CV 1 OR { 720} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 32 and name HB2 )) OR { 720} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HB1 )) ASSI { 723} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 32 and name HB1 )) 4.900 3.000 1.100 peak 723 spectrum 1 weight 0.10000E+01 volume 0.35977E-03 ppm1 1.002 ppm2 3.140 CV 1 OR { 723} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HB1 )) OR { 723} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 32 and name HB2 )) OR { 723} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 40 and name H42A)) OR { 723} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 39 and name HB1 )) ASSI { 725} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB )) 2.700 0.900 0.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.37822E-02 ppm1 3.598 ppm2 2.250 CV 1 OR { 725} (( segid " " and resid 15 and name HA )) (( segid " " and resid 46 and name HB )) OR { 725} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HB1 )) OR { 725} (( segid " " and resid 15 and name HA )) (( segid " " and resid 45 and name HB1 )) ASSI { 726} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HB )) 4.100 2.100 1.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.58655E-03 ppm1 3.598 ppm2 2.108 CV 1 OR { 726} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HB2 )) OR { 726} (( segid " " and resid 15 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 726} (( segid " " and resid 15 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 727} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HB )) 2.800 1.000 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.36297E-02 ppm1 3.599 ppm2 1.636 CV 1 OR { 727} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HG11)) OR { 727} (( segid " " and resid 15 and name HA )) (( segid " " and resid 21 and name HB )) ASSI { 728} (( segid " " and resid 15 and name HA )) ( segid " " and resid 19 and name HB% ) 3.500 1.500 1.500 peak 728 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 3.598 ppm2 1.538 CV 1 OR { 728} (( segid " " and resid 15 and name HA )) ( segid " " and resid 49 and name HB% ) ASSI { 729} (( segid " " and resid 15 and name HA )) (( segid " " and resid 21 and name HG11)) 4.700 2.700 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.74364E-03 ppm1 3.599 ppm2 1.298 CV 1 OR { 729} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HG12)) OR { 729} (( segid " " and resid 15 and name HA )) (( segid " " and resid 21 and name HG12)) ASSI { 731} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HG1%) 2.100 0.600 0.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.91164E-02 ppm1 3.598 ppm2 0.993 CV 1 OR { 731} (( segid " " and resid 15 and name HA )) ( segid " " and resid 46 and name HG2%) ASSI { 732} (( segid " " and resid 15 and name HA )) ( segid " " and resid 18 and name HD1%) 3.700 1.700 1.700 peak 732 spectrum 1 weight 0.10000E+01 volume 0.98957E-03 ppm1 3.597 ppm2 0.779 CV 1 OR { 732} (( segid " " and resid 15 and name HA )) ( segid " " and resid 14 and name HD1%) OR { 732} (( segid " " and resid 15 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 734} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG2%) 2.200 0.600 0.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.77803E-02 ppm1 2.249 ppm2 1.169 CV 1 OR { 734} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name H3B )) OR { 734} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name H3B )) OR { 734} (( segid " " and resid 46 and name HB )) ( segid " " and resid 15 and name HG2%) OR { 734} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name H3A )) OR { 734} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name H3A )) ASSI { 735} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG1%) 2.100 0.600 0.600 peak 735 spectrum 1 weight 0.10000E+01 volume 0.11502E-01 ppm1 2.242 ppm2 0.991 CV 1 OR { 735} (( segid " " and resid 44 and name HB )) ( segid " " and resid 44 and name HG1%) OR { 735} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name H5B )) OR { 735} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name H5B )) OR { 735} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name H5A )) OR { 735} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name H5A )) OR { 735} (( segid " " and resid 15 and name HB )) ( segid " " and resid 21 and name HG2%) OR { 735} (( segid " " and resid 47 and name HB )) ( segid " " and resid 44 and name HG1%) OR { 735} (( segid " " and resid 15 and name HB )) ( segid " " and resid 46 and name HG2%) OR { 735} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 66 and name HB2 )) OR { 735} (( segid " " and resid 47 and name HB )) ( segid " " and resid 48 and name HG1%) OR { 735} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 66 and name HB2 )) OR { 735} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 46 and name HG2%) ASSI { 736} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.000 0.500 0.500 peak 736 spectrum 1 weight 0.10000E+01 volume 0.91264E-02 ppm1 1.178 ppm2 2.246 CV 1 OR { 736} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 69 and name HB )) ASSI { 737} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HB1 )) 2.900 1.100 1.100 peak 737 spectrum 1 weight 0.10000E+01 volume 0.16732E-02 ppm1 1.178 ppm2 2.098 CV 1 OR { 737} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB )) ASSI { 738} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HG11)) 5.000 3.100 1.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.41132E-03 ppm1 1.175 ppm2 2.018 CV 1 OR { 738} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HG )) OR { 738} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 43 and name HB1 )) OR { 738} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 30 and name HB1 )) ASSI { 739} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HG11)) 4.600 2.700 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.58641E-03 ppm1 1.173 ppm2 1.983 CV 1 OR { 739} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HG )) OR { 739} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 43 and name HB1 )) OR { 739} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 43 and name HB2 )) ASSI { 740} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 38 and name HB )) 4.400 2.400 1.600 peak 740 spectrum 1 weight 0.10000E+01 volume 0.51424E-03 ppm1 1.179 ppm2 1.933 CV 1 OR { 740} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 43 and name HB2 )) ASSI { 743} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 21 and name HB )) 3.500 1.500 1.500 peak 743 spectrum 1 weight 0.10000E+01 volume 0.27669E-02 ppm1 1.178 ppm2 1.614 CV 1 OR { 743} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HB )) OR { 743} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HG11)) OR { 743} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 72 and name HB% ) ASSI { 744} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 19 and name HB% ) 3.800 1.800 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.27277E-02 ppm1 1.178 ppm2 1.550 CV 1 OR { 744} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 49 and name HB% ) OR { 744} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 72 and name HB% ) ASSI { 747} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HB )) 2.200 0.600 0.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.91913E-02 ppm1 1.004 ppm2 1.616 CV 1 OR { 747} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 18 and name HB )) OR { 747} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 18 and name HG11)) OR { 747} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 18 and name HB )) ASSI { 749} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 15 and name HG1%) 2.100 0.600 0.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.11491E-01 ppm1 1.178 ppm2 1.049 CV 1 OR { 749} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 14 and name HG2%) OR { 749} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 21 and name HG2%) ASSI { 751} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HG2%) 2.600 0.800 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.81508E-02 ppm1 1.178 ppm2 0.912 CV 1 OR { 751} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 11 and name HD2%) OR { 751} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 38 and name HG1%) OR { 751} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 38 and name HG2%) OR { 751} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 8 and name HG1%) OR { 751} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 18 and name HG2%) ASSI { 752} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 11 and name HD2%) 3.200 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.42007E-02 ppm1 1.176 ppm2 0.853 CV 1 OR { 752} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 11 and name HD1%) OR { 752} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 21 and name HD1%) ASSI { 753} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HG1%) 3.100 1.200 1.200 peak 753 spectrum 1 weight 0.10000E+01 volume 0.46189E-02 ppm1 1.179 ppm2 0.749 CV 1 OR { 753} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 14 and name HD1%) OR { 753} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 18 and name HD1%) ASSI { 754} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 46 and name HG1%) 2.500 0.800 0.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.50954E-02 ppm1 1.179 ppm2 0.667 CV 1 OR { 754} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 69 and name HG2%) ASSI { 762} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 23 and name HN )) 3.900 1.900 1.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.69289E-03 ppm1 3.102 ppm2 8.511 CV 1 OR { 762} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 19 and name HN )) OR { 762} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 76 and name HN )) ASSI { 763} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 23 and name HN )) 4.500 2.600 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.55028E-03 ppm1 2.750 ppm2 8.514 CV 1 OR { 763} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 19 and name HN )) ASSI { 764} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HN )) 3.100 1.200 1.200 peak 764 spectrum 1 weight 0.10000E+01 volume 0.24588E-02 ppm1 3.109 ppm2 8.359 CV 1 OR { 764} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HN )) ASSI { 766} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 18 and name HN )) 5.300 3.500 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.23451E-03 ppm1 2.758 ppm2 8.250 CV 1 OR { 766} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 767} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 18 and name HN )) 4.800 2.900 1.200 peak 767 spectrum 1 weight 0.10000E+01 volume 0.32768E-03 ppm1 2.753 ppm2 8.181 CV 1 OR { 767} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 32 and name HN )) OR { 767} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 69 and name HN )) ASSI { 768} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HD22)) 3.400 1.400 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.24087E-02 ppm1 3.109 ppm2 8.069 CV 1 OR { 768} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 74 and name HN )) ASSI { 782} (( segid " " and resid 16 and name HA )) (( segid " " and resid 19 and name HN )) 4.400 2.400 1.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.44514E-03 ppm1 4.666 ppm2 8.517 CV 1 OR { 782} (( segid " " and resid 16 and name HA )) (( segid " " and resid 23 and name HN )) ASSI { 786} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 22 and name HA )) 5.500 3.700 0.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.22510E-03 ppm1 2.749 ppm2 4.298 CV 1 OR { 786} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 21 and name HA )) ASSI { 788} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 20 and name HA2 )) 3.400 1.400 1.400 peak 788 spectrum 1 weight 0.10000E+01 volume 0.21903E-02 ppm1 3.109 ppm2 3.944 CV 1 OR { 788} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HA )) OR { 788} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 13 and name HA )) ASSI { 789} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.36812E-02 ppm1 2.753 ppm2 3.941 CV 1 OR { 789} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HA )) OR { 789} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 20 and name HA2 )) ASSI { 790} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 23 and name HA )) 4.300 2.300 1.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.97212E-03 ppm1 3.107 ppm2 3.609 CV 1 OR { 790} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 15 and name HA )) OR { 790} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 28 and name HA )) ASSI { 791} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 23 and name HA )) 4.500 2.500 1.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.60313E-03 ppm1 2.750 ppm2 3.608 CV 1 OR { 791} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HA )) ASSI { 798} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 40 and name H2B )) 4.400 2.500 1.600 peak 798 spectrum 1 weight 0.10000E+01 volume 0.65995E-03 ppm1 3.108 ppm2 2.271 CV 1 OR { 798} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 15 and name HB )) OR { 798} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HG2 )) OR { 798} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HB1 )) OR { 798} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 69 and name HB )) ASSI { 799} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HG2 )) 3.400 1.400 1.400 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 2.756 ppm2 2.270 CV 1 OR { 799} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HB )) OR { 799} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HB1 )) ASSI { 801} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 66 and name HB2 )) 3.100 1.200 1.200 peak 801 spectrum 1 weight 0.10000E+01 volume 0.36839E-02 ppm1 3.109 ppm2 0.987 CV 1 OR { 801} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 23 and name HG2%) OR { 801} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 23 and name HG1%) OR { 801} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 15 and name HG1%) OR { 801} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 21 and name HG2%) ASSI { 802} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 23 and name HG2%) 3.400 1.400 1.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.22203E-02 ppm1 2.754 ppm2 0.985 CV 1 OR { 802} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 15 and name HG1%) OR { 802} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 23 and name HG1%) OR { 802} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 21 and name HG2%) OR { 802} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 46 and name HG2%) OR { 802} (( segid " " and resid 34 and name HB1 )) ( segid " " and resid 38 and name HG1%) ASSI { 803} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 21 and name HB )) 5.500 3.800 0.500 peak 803 spectrum 1 weight 0.10000E+01 volume 0.20270E-03 ppm1 2.750 ppm2 1.624 CV 1 OR { 803} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 18 and name HG11)) OR { 803} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 36 and name HB2 )) OR { 803} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 18 and name HB )) ASSI { 804} (( segid " " and resid 16 and name HA )) (( segid " " and resid 21 and name HB )) 3.500 1.500 1.500 peak 804 spectrum 1 weight 0.10000E+01 volume 0.11163E-02 ppm1 4.689 ppm2 1.612 CV 1 OR { 804} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HB )) OR { 804} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HG11)) ASSI { 805} (( segid " " and resid 16 and name HA )) ( segid " " and resid 15 and name HG1%) 3.300 1.300 1.300 peak 805 spectrum 1 weight 0.10000E+01 volume 0.22191E-02 ppm1 4.668 ppm2 0.994 CV 1 OR { 805} (( segid " " and resid 16 and name HA )) ( segid " " and resid 21 and name HG2%) OR { 805} (( segid " " and resid 16 and name HA )) ( segid " " and resid 23 and name HG2%) OR { 805} (( segid " " and resid 16 and name HA )) ( segid " " and resid 23 and name HG1%) ASSI { 806} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 12 and name HB% ) 6.000 4.500 0.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.19363E-03 ppm1 3.106 ppm2 1.673 CV 1 OR { 806} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 18 and name HG11)) OR { 806} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 18 and name HB )) OR { 806} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 74 and name HD2 )) ASSI { 807} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 12 and name HB% ) 5.500 3.700 0.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.27106E-03 ppm1 2.752 ppm2 1.676 CV 1 OR { 807} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 18 and name HG11)) ASSI { 808} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 40 and name H3A )) 4.800 2.900 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.21668E-03 ppm1 3.106 ppm2 1.186 CV 1 OR { 808} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 15 and name HG2%) ASSI { 809} (( segid " " and resid 34 and name HB1 )) ( segid " " and resid 33 and name HG2%) 6.000 6.000 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.50173E-04 ppm1 2.750 ppm2 1.278 CV 1 OR { 809} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 21 and name HG11)) OR { 809} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 21 and name HG12)) OR { 809} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 18 and name HG12)) ASSI { 810} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 19 and name HN )) 5.900 4.300 0.100 peak 810 spectrum 1 weight 0.10000E+01 volume 0.31392E-03 ppm1 2.268 ppm2 8.492 CV 1 OR { 810} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 19 and name HN )) OR { 810} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 23 and name HN )) ASSI { 811} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 19 and name HN )) 5.500 3.700 0.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.32707E-03 ppm1 2.138 ppm2 8.490 CV 1 OR { 811} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 19 and name HN )) ASSI { 812} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 3.400 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.39042E-02 ppm1 2.265 ppm2 8.362 CV 1 OR { 812} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 10 and name HN )) ASSI { 816} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 14 and name HN )) 3.700 1.700 1.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11168E-02 ppm1 2.259 ppm2 8.203 CV 1 OR { 816} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 53 and name HN )) OR { 816} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HN )) ASSI { 821} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HN )) 3.200 1.300 1.300 peak 821 spectrum 1 weight 0.10000E+01 volume 0.18051E-02 ppm1 3.945 ppm2 8.504 CV 1 OR { 821} (( segid " " and resid 74 and name HA )) (( segid " " and resid 76 and name HN )) OR { 821} (( segid " " and resid 17 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 822} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) 2.600 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.31189E-02 ppm1 2.141 ppm2 8.204 CV 1 OR { 822} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HN )) ASSI { 823} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 2.264 ppm2 8.195 CV 1 OR { 823} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 14 and name HN )) OR { 823} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 14 and name HN )) ASSI { 825} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HA )) 3.000 1.100 1.100 peak 825 spectrum 1 weight 0.10000E+01 volume 0.31562E-02 ppm1 2.266 ppm2 3.936 CV 1 OR { 825} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HA )) OR { 825} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 53 and name HA )) OR { 825} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HA )) ASSI { 826} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HA )) 3.500 1.500 1.500 peak 826 spectrum 1 weight 0.10000E+01 volume 0.25124E-02 ppm1 2.431 ppm2 3.930 CV 1 OR { 826} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 53 and name HA )) OR { 826} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HA )) ASSI { 829} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 12 and name HB% ) 4.400 2.500 1.600 peak 829 spectrum 1 weight 0.10000E+01 volume 0.80041E-03 ppm1 2.269 ppm2 1.639 CV 1 OR { 829} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HG11)) OR { 829} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 53 and name HB1 )) OR { 829} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 18 and name HB )) OR { 829} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 18 and name HG11)) OR { 829} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HB )) OR { 829} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 12 and name HB% ) ASSI { 830} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.22958E-02 ppm1 2.445 ppm2 4.092 CV 1 OR { 830} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HA )) ASSI { 832} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HG11)) 4.800 2.900 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.49743E-03 ppm1 2.433 ppm2 1.648 CV 1 OR { 832} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 53 and name HB1 )) OR { 832} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 18 and name HB )) OR { 832} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 18 and name HG11)) OR { 832} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HB )) ASSI { 833} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB1 )) 2.200 0.600 0.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.13036E-01 ppm1 3.934 ppm2 2.264 CV 1 OR { 833} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) OR { 833} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 833} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG2 )) ASSI { 836} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HA )) 2.400 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.60921E-02 ppm1 2.269 ppm2 3.934 CV 1 OR { 836} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) OR { 836} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HA )) ASSI { 837} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 14 and name HA )) 3.800 1.900 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.14413E-02 ppm1 2.267 ppm2 3.817 CV 1 OR { 837} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 14 and name HA )) OR { 837} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 14 and name HA )) ASSI { 838} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 3.000 1.100 1.100 peak 838 spectrum 1 weight 0.10000E+01 volume 0.40228E-02 ppm1 2.139 ppm2 3.929 CV 1 OR { 838} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HA )) OR { 838} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HA )) ASSI { 853} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 19 and name HN )) 4.300 2.300 1.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.53904E-03 ppm1 1.648 ppm2 8.508 CV 1 OR { 853} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 28 and name HN )) ASSI { 858} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 42 and name HN )) 4.800 2.900 1.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.42546E-03 ppm1 0.953 ppm2 8.391 CV 1 OR { 858} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 43 and name HN )) OR { 858} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 17 and name HN )) ASSI { 862} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 46 and name HN )) 4.400 2.500 1.600 peak 862 spectrum 1 weight 0.10000E+01 volume 0.98815E-03 ppm1 0.956 ppm2 8.087 CV 1 OR { 862} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 41 and name HN )) ASSI { 873} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 15 and name HA )) 3.800 1.800 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.74076E-03 ppm1 0.783 ppm2 3.604 CV 1 OR { 873} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 44 and name HA )) ASSI { 879} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HA )) 4.300 2.300 1.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.34843E-03 ppm1 0.961 ppm2 4.850 CV 1 OR { 879} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 19 and name HA )) ASSI { 883} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 43 and name HN )) 5.200 3.400 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.25370E-03 ppm1 0.782 ppm2 8.337 CV 1 OR { 883} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 17 and name HN )) ASSI { 889} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 49 and name HB% ) 3.100 1.200 1.200 peak 889 spectrum 1 weight 0.10000E+01 volume 0.59061E-02 ppm1 0.785 ppm2 1.527 CV 1 OR { 889} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 19 and name HB% ) ASSI { 893} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HB1 )) 3.000 1.100 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.47514E-02 ppm1 0.784 ppm2 2.284 CV 1 OR { 893} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HG2 )) OR { 893} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 46 and name HB )) ASSI { 894} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.000 0.500 0.500 peak 894 spectrum 1 weight 0.10000E+01 volume 0.44937E-02 ppm1 0.784 ppm2 2.150 CV 1 OR { 894} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 14 and name HB )) ASSI { 901} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HB1 )) 3.500 1.600 1.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.44422E-02 ppm1 0.954 ppm2 2.291 CV 1 OR { 901} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HG2 )) OR { 901} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 46 and name HB )) ASSI { 903} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HB2 )) 3.200 1.300 1.300 peak 903 spectrum 1 weight 0.10000E+01 volume 0.26152E-02 ppm1 0.955 ppm2 2.155 CV 1 OR { 903} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 17 and name HB2 )) ASSI { 904} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 45 and name HB1 )) 4.400 2.500 1.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.68576E-03 ppm1 1.324 ppm2 2.272 CV 1 OR { 904} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 17 and name HB1 )) OR { 904} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 45 and name HG2 )) ASSI { 905} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 45 and name HB2 )) 4.300 2.300 1.700 peak 905 spectrum 1 weight 0.10000E+01 volume 0.54759E-03 ppm1 1.324 ppm2 2.143 CV 1 OR { 905} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 17 and name HB2 )) ASSI { 906} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 17 and name HB1 )) 4.300 2.300 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.76524E-03 ppm1 1.648 ppm2 2.263 CV 1 OR { 906} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 45 and name HB1 )) OR { 906} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 46 and name HB )) OR { 906} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 45 and name HG2 )) ASSI { 907} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 17 and name HB2 )) 3.400 1.400 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.62684E-03 ppm1 1.643 ppm2 2.142 CV 1 OR { 907} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 45 and name HB2 )) ASSI { 909} (( segid " " and resid 18 and name HG11)) ( segid " " and resid 18 and name HG2%) 3.200 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.41189E-02 ppm1 1.644 ppm2 0.959 CV 1 OR { 909} (( segid " " and resid 18 and name HG11)) ( segid " " and resid 46 and name HG2%) ASSI { 911} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 18 and name HG12)) 1.600 0.300 0.600 peak 911 spectrum 1 weight 0.10000E+01 volume 0.20317E-01 ppm1 1.643 ppm2 1.322 CV 1 OR { 911} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HG1 )) OR { 911} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HG2 )) ASSI { 914} (( segid " " and resid 18 and name HG12)) ( segid " " and resid 18 and name HG2%) 2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.45545E-02 ppm1 1.324 ppm2 0.956 CV 1 OR { 914} (( segid " " and resid 18 and name HG12)) ( segid " " and resid 46 and name HG2%) ASSI { 919} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 46 and name HG2%) 1.900 0.400 0.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.14756E-01 ppm1 0.783 ppm2 0.969 CV 1 OR { 919} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 18 and name HG2%) ASSI { 924} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 42 and name HN )) 4.400 2.400 1.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.52013E-03 ppm1 1.549 ppm2 8.389 CV 1 OR { 924} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 43 and name HN )) OR { 924} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 925} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 43 and name HN )) 4.500 2.500 1.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.53502E-03 ppm1 1.543 ppm2 8.338 CV 1 OR { 925} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 927} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 38 and name HN )) 4.400 2.400 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.59811E-03 ppm1 1.543 ppm2 8.087 CV 1 OR { 927} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 41 and name HN )) OR { 927} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 16 and name HD22)) ASSI { 933} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 16 and name HA )) 4.900 3.000 1.100 peak 933 spectrum 1 weight 0.10000E+01 volume 0.35399E-03 ppm1 1.546 ppm2 4.682 CV 1 OR { 933} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 39 and name HA )) ASSI { 935} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HA )) 4.600 2.600 1.400 peak 935 spectrum 1 weight 0.10000E+01 volume 0.68613E-03 ppm1 1.544 ppm2 4.316 CV 1 OR { 935} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 42 and name HA )) ASSI { 936} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HA1 )) 4.700 2.700 1.300 peak 936 spectrum 1 weight 0.10000E+01 volume 0.55700E-03 ppm1 1.545 ppm2 4.066 CV 1 OR { 936} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 32 and name HA )) OR { 936} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 12 and name HA )) OR { 936} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 22 and name HD1 )) ASSI { 937} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 38 and name HA )) 2.700 0.900 0.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.21560E-02 ppm1 1.544 ppm2 3.955 CV 1 OR { 937} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 42 and name HB1 )) OR { 937} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HA2 )) ASSI { 939} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 39 and name HB1 )) 4.600 2.600 1.400 peak 939 spectrum 1 weight 0.10000E+01 volume 0.51424E-03 ppm1 1.547 ppm2 3.095 CV 1 OR { 939} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 37 and name HB1 )) OR { 939} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 16 and name HB1 )) ASSI { 940} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 37 and name HB2 )) 4.500 2.500 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.73783E-03 ppm1 1.543 ppm2 2.459 CV 1 OR { 940} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 45 and name HG1 )) ASSI { 941} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 38 and name HG1%) 2.000 0.500 0.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.16360E-01 ppm1 1.543 ppm2 0.955 CV 1 OR { 941} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 18 and name HG2%) OR { 941} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 38 and name HG2%) OR { 941} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 46 and name HG2%) ASSI { 942} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 21 and name HD1%) 3.000 1.100 1.100 peak 942 spectrum 1 weight 0.10000E+01 volume 0.44626E-02 ppm1 1.544 ppm2 0.832 CV 1 OR { 942} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 18 and name HD1%) ASSI { 947} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 14 and name HB )) 5.200 3.400 0.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.30297E-03 ppm1 1.539 ppm2 2.127 CV 1 OR { 947} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 45 and name HB2 )) OR { 947} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 11 and name HB1 )) OR { 947} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 22 and name HG1 )) ASSI { 949} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 43 and name HB2 )) 5.600 3.900 0.400 peak 949 spectrum 1 weight 0.10000E+01 volume 0.22663E-03 ppm1 1.540 ppm2 1.969 CV 1 OR { 949} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 22 and name HG2 )) OR { 949} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 14 and name HG11)) ASSI { 951} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 15 and name HB )) 4.200 2.200 1.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.12682E-02 ppm1 1.546 ppm2 2.282 CV 1 OR { 951} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 36 and name HB1 )) OR { 951} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 46 and name HB )) OR { 951} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 45 and name HB1 )) ASSI { 972} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HD1 )) 3.500 1.600 1.600 peak 972 spectrum 1 weight 0.10000E+01 volume 0.16537E-02 ppm1 1.008 ppm2 4.039 CV 1 OR { 972} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 32 and name HA )) OR { 972} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 12 and name HA )) ASSI { 975} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 22 and name HD1 )) 3.900 1.900 1.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 0.838 ppm2 4.047 CV 1 OR { 975} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 32 and name HA )) ASSI { 976} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 38 and name HA )) 3.900 1.900 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.44326E-03 ppm1 0.840 ppm2 3.963 CV 1 OR { 976} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 42 and name HB1 )) ASSI { 981} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 15 and name HA )) 5.800 4.200 0.200 peak 981 spectrum 1 weight 0.10000E+01 volume 0.27472E-03 ppm1 0.840 ppm2 3.590 CV 1 OR { 981} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 23 and name HA )) ASSI { 983} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 32 and name HA )) 4.600 2.700 1.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.57052E-03 ppm1 1.324 ppm2 4.042 CV 1 OR { 983} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 20 and name HA1 )) OR { 983} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 22 and name HD1 )) OR { 983} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 22 and name HD1 )) OR { 983} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 32 and name HA )) OR { 983} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 12 and name HA )) OR { 983} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 20 and name HA1 )) ASSI { 984} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 22 and name HD2 )) 5.400 3.700 0.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.33714E-03 ppm1 1.315 ppm2 3.692 CV 1 OR { 984} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 22 and name HD2 )) OR { 984} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 42 and name HB2 )) OR { 984} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 42 and name HB2 )) ASSI { 988} (( segid " " and resid 21 and name HB )) (( segid " " and resid 16 and name HA )) 4.000 2.000 2.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.42897E-03 ppm1 1.618 ppm2 4.668 CV 1 OR { 988} (( segid " " and resid 18 and name HB )) (( segid " " and resid 16 and name HA )) ASSI { 989} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HD1 )) 4.300 2.300 1.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.82755E-03 ppm1 1.620 ppm2 4.041 CV 1 OR { 989} (( segid " " and resid 21 and name HB )) (( segid " " and resid 12 and name HA )) OR { 989} (( segid " " and resid 21 and name HB )) (( segid " " and resid 20 and name HA1 )) OR { 989} (( segid " " and resid 21 and name HB )) (( segid " " and resid 32 and name HA )) OR { 989} (( segid " " and resid 18 and name HB )) (( segid " " and resid 45 and name HA )) ASSI { 990} (( segid " " and resid 18 and name HB )) (( segid " " and resid 42 and name HB2 )) 3.700 1.700 1.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.73085E-03 ppm1 1.615 ppm2 3.701 CV 1 OR { 990} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HD2 )) ASSI { 993} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HB1 )) 5.700 4.100 0.300 peak 993 spectrum 1 weight 0.10000E+01 volume 0.42082E-03 ppm1 4.326 ppm2 2.357 CV 1 OR { 993} (( segid " " and resid 21 and name HA )) (( segid " " and resid 26 and name HB )) ASSI { 997} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.27343E-02 ppm1 4.324 ppm2 1.612 CV 1 OR { 997} (( segid " " and resid 21 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 999} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.300 0.600 0.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.57138E-02 ppm1 4.324 ppm2 1.004 CV 1 OR { 999} (( segid " " and resid 21 and name HA )) ( segid " " and resid 15 and name HG1%) ASSI { 1003} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 15 and name HB )) 4.000 2.000 2.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.17773E-02 ppm1 0.839 ppm2 2.235 CV 1 OR { 1003} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 69 and name HB )) ASSI { 1008} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HB )) 2.300 0.700 0.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.41139E-02 ppm1 1.007 ppm2 1.615 CV 1 OR { 1008} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 36 and name HB2 )) ASSI { 1009} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 36 and name HB1 )) 3.500 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.28340E-03 ppm1 1.009 ppm2 2.338 CV 1 OR { 1009} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 26 and name HB )) ASSI { 1010} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 36 and name HB1 )) 3.800 1.800 1.800 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.17022E-03 ppm1 1.009 ppm2 2.309 CV 1 OR { 1010} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 26 and name HB )) OR { 1010} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HB1 )) ASSI { 1014} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 30 and name HB1 )) 5.400 3.600 0.600 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.45102E-03 ppm1 0.999 ppm2 2.060 CV 1 OR { 1014} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 43 and name HB1 )) OR { 1014} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 14 and name HB )) OR { 1014} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 27 and name HB1 )) ASSI { 1017} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.35846E-02 ppm1 0.838 ppm2 1.611 CV 1 OR { 1017} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HB )) ASSI { 1019} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 21 and name HB )) 2.200 0.600 0.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.54900E-02 ppm1 1.314 ppm2 1.614 CV 1 OR { 1019} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 21 and name HB )) OR { 1019} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 36 and name HB2 )) OR { 1019} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 36 and name HB2 )) ASSI { 1020} (( segid " " and resid 21 and name HG11)) ( segid " " and resid 15 and name HG1%) 2.200 0.600 0.600 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.62186E-02 ppm1 1.319 ppm2 1.004 CV 1 OR { 1020} (( segid " " and resid 21 and name HG12)) ( segid " " and resid 21 and name HG2%) OR { 1020} (( segid " " and resid 21 and name HG12)) ( segid " " and resid 15 and name HG1%) OR { 1020} (( segid " " and resid 21 and name HG11)) ( segid " " and resid 21 and name HG2%) ASSI { 1022} ( segid " " and resid 21 and name HG2%) ( segid " " and resid 21 and name HD1%) 2.500 0.800 0.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.32293E-02 ppm1 1.007 ppm2 0.815 CV 1 OR { 1022} ( segid " " and resid 21 and name HG2%) ( segid " " and resid 36 and name HD2%) ASSI { 1031} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 25 and name HN )) 3.200 1.300 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.13500E-02 ppm1 1.764 ppm2 7.746 CV 1 OR { 1031} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 65 and name HD22)) ASSI { 1036} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 23 and name HN )) 5.400 3.700 0.600 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.29331E-03 ppm1 2.132 ppm2 8.523 CV 1 OR { 1036} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 77 and name HN )) ASSI { 1038} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HD2 )) 2.900 1.000 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.41106E-02 ppm1 2.135 ppm2 3.700 CV 1 OR { 1038} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) ASSI { 1040} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HD1 )) 2.400 0.700 0.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.39673E-02 ppm1 2.136 ppm2 4.038 CV 1 OR { 1040} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 1 and name HA )) ASSI { 1042} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HA )) 3.300 1.300 1.300 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.22356E-02 ppm1 2.135 ppm2 4.310 CV 1 OR { 1042} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 21 and name HA )) ASSI { 1043} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HA )) 4.000 2.000 2.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.23251E-02 ppm1 1.947 ppm2 4.311 CV 1 OR { 1043} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 21 and name HA )) ASSI { 1053} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 4.400 2.400 1.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.68115E-03 ppm1 1.760 ppm2 2.689 CV 1 OR { 1053} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 61 and name HB1 )) ASSI { 1055} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) 2.300 0.700 0.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.58335E-02 ppm1 2.353 ppm2 4.304 CV 1 OR { 1055} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 21 and name HA )) ASSI { 1056} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HD1 )) 4.200 2.200 1.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.12449E-02 ppm1 2.354 ppm2 4.036 CV 1 OR { 1056} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 24 and name HA )) ASSI { 1058} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) 3.100 1.200 1.200 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.31371E-02 ppm1 1.763 ppm2 4.307 CV 1 OR { 1058} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 21 and name HA )) ASSI { 1062} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 21 and name HA )) 1.800 0.400 0.400 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.11044E-01 ppm1 4.041 ppm2 4.321 CV 1 OR { 1062} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HA )) ASSI { 1063} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 21 and name HA )) 2.600 0.800 0.800 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.72792E-02 ppm1 3.701 ppm2 4.322 CV 1 OR { 1063} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HA )) ASSI { 1068} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HB1 )) 4.200 2.200 1.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.11973E-02 ppm1 4.041 ppm2 2.343 CV 1 OR { 1068} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 36 and name HB1 )) ASSI { 1075} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 21 and name HB )) 4.200 2.200 1.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.81667E-03 ppm1 3.702 ppm2 1.613 CV 1 OR { 1075} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 36 and name HB2 )) ASSI { 1076} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HB1 )) 3.900 1.900 1.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.13035E-02 ppm1 3.703 ppm2 2.349 CV 1 OR { 1076} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 36 and name HB1 )) ASSI { 1077} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 21 and name HB )) 4.500 2.500 1.500 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.74268E-03 ppm1 4.042 ppm2 1.613 CV 1 OR { 1077} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 36 and name HB2 )) ASSI { 1079} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HB2 )) 2.800 1.000 1.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.59368E-02 ppm1 2.134 ppm2 1.760 CV 1 OR { 1079} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 7 and name HB )) ASSI { 1080} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HB1 )) 2.600 0.800 0.800 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.58824E-02 ppm1 1.944 ppm2 2.355 CV 1 OR { 1080} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HB1 )) ASSI { 1081} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 24 and name HG1 )) 6.000 4.900 0.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.65931E-04 ppm1 1.945 ppm2 2.242 CV 1 OR { 1081} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 24 and name HG2 )) OR { 1081} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 47 and name HB )) ASSI { 1084} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 2.000 0.500 0.500 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.77255E-02 ppm1 2.351 ppm2 1.945 CV 1 OR { 1084} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HG2 )) OR { 1084} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HG2 )) ASSI { 1087} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 24 and name HG1 )) 3.900 1.900 1.900 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.50670E-03 ppm1 1.767 ppm2 2.248 CV 1 OR { 1087} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 24 and name HG2 )) OR { 1087} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 40 and name H2B )) OR { 1087} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 40 and name H2A )) ASSI { 1093} (( segid " " and resid 22 and name HA )) ( segid " " and resid 23 and name HG2%) 3.500 1.500 1.500 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.28406E-02 ppm1 4.305 ppm2 0.987 CV 1 OR { 1093} (( segid " " and resid 22 and name HA )) ( segid " " and resid 23 and name HG1%) OR { 1093} (( segid " " and resid 22 and name HA )) ( segid " " and resid 21 and name HG2%) ASSI { 1097} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 21 and name HG2%) 4.300 2.300 1.700 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.72623E-03 ppm1 1.760 ppm2 0.997 CV 1 OR { 1097} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 23 and name HG1%) OR { 1097} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 23 and name HG2%) ASSI { 1098} (( segid " " and resid 22 and name HG1 )) ( segid " " and resid 21 and name HG2%) 4.900 3.000 1.100 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.61884E-03 ppm1 2.132 ppm2 0.998 CV 1 OR { 1098} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 56 and name HG2%) OR { 1098} (( segid " " and resid 22 and name HG1 )) ( segid " " and resid 23 and name HG1%) OR { 1098} (( segid " " and resid 22 and name HG1 )) ( segid " " and resid 23 and name HG2%) ASSI { 1101} (( segid " " and resid 22 and name HD1 )) ( segid " " and resid 21 and name HG2%) 3.000 1.100 1.100 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.33349E-02 ppm1 4.040 ppm2 1.006 CV 1 OR { 1101} (( segid " " and resid 22 and name HD1 )) ( segid " " and resid 15 and name HG1%) ASSI { 1104} (( segid " " and resid 22 and name HD2 )) ( segid " " and resid 21 and name HG2%) 2.300 0.600 0.600 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.48318E-02 ppm1 3.701 ppm2 1.004 CV 1 OR { 1104} (( segid " " and resid 22 and name HD2 )) ( segid " " and resid 15 and name HG1%) ASSI { 1109} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HA )) 2.300 0.700 0.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.11683E-01 ppm1 0.970 ppm2 3.603 CV 1 OR { 1109} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HA )) OR { 1109} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HA )) OR { 1109} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HB1 )) ASSI { 1111} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HA )) 4.000 2.000 2.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.98226E-03 ppm1 3.612 ppm2 4.302 CV 1 OR { 1111} (( segid " " and resid 44 and name HA )) (( segid " " and resid 41 and name HA )) OR { 1111} (( segid " " and resid 44 and name HA )) (( segid " " and resid 42 and name HA )) ASSI { 1112} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HA )) 3.700 1.700 1.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 3.603 ppm2 4.053 CV 1 OR { 1112} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HA )) OR { 1112} (( segid " " and resid 23 and name HA )) (( segid " " and resid 12 and name HA )) ASSI { 1113} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB )) 2.400 0.700 0.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.66539E-02 ppm1 3.614 ppm2 2.039 CV 1 OR { 1113} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HB1 )) ASSI { 1115} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HG1%) 2.200 0.600 0.600 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.14438E-01 ppm1 3.611 ppm2 0.977 CV 1 OR { 1115} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HG2%) OR { 1115} (( segid " " and resid 23 and name HA )) ( segid " " and resid 23 and name HG1%) ASSI { 1116} (( segid " " and resid 23 and name HA )) ( segid " " and resid 26 and name HG1%) 5.100 3.200 0.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.51648E-03 ppm1 3.616 ppm2 0.747 CV 1 OR { 1116} (( segid " " and resid 44 and name HA )) ( segid " " and resid 18 and name HD1%) OR { 1116} (( segid " " and resid 23 and name HA )) ( segid " " and resid 36 and name HD2%) ASSI { 1117} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HB )) 3.500 1.500 1.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.16238E-02 ppm1 3.610 ppm2 2.321 CV 1 OR { 1117} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HB1 )) OR { 1117} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HG2 )) OR { 1117} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HG2 )) OR { 1117} (( segid " " and resid 44 and name HA )) (( segid " " and resid 46 and name HB )) OR { 1117} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HG1 )) OR { 1117} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 1117} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HB1 )) ASSI { 1118} (( segid " " and resid 23 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.800 1.800 1.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.10906E-02 ppm1 3.614 ppm2 3.096 CV 1 OR { 1118} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name HE2 )) OR { 1118} (( segid " " and resid 23 and name HA )) (( segid " " and resid 27 and name HE1 )) ASSI { 1121} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HN )) 3.500 1.600 1.600 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.98765E-03 ppm1 3.616 ppm2 7.489 CV 1 OR { 1121} (( segid " " and resid 44 and name HA )) (( segid " " and resid 62 and name HN )) ASSI { 1123} (( segid " " and resid 23 and name HB )) (( segid " " and resid 24 and name HN )) 3.300 1.400 1.400 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.24064E-02 ppm1 2.042 ppm2 9.244 CV 1 OR { 1123} (( segid " " and resid 8 and name HB )) (( segid " " and resid 11 and name HN )) ASSI { 1125} (( segid " " and resid 63 and name HB )) (( segid " " and resid 61 and name HA )) 4.600 2.600 1.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.69604E-03 ppm1 2.042 ppm2 4.302 CV 1 OR { 1125} (( segid " " and resid 23 and name HB )) (( segid " " and resid 22 and name HA )) ASSI { 1126} (( segid " " and resid 23 and name HB )) ( segid " " and resid 12 and name HB% ) 3.200 1.200 1.200 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.29545E-02 ppm1 2.041 ppm2 1.686 CV 1 OR { 1126} (( segid " " and resid 63 and name HB )) (( segid " " and resid 58 and name HB )) OR { 1126} (( segid " " and resid 8 and name HB )) ( segid " " and resid 12 and name HB% ) OR { 1126} (( segid " " and resid 8 and name HB )) (( segid " " and resid 28 and name HB1 )) OR { 1126} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 27 and name HD2 )) OR { 1126} (( segid " " and resid 63 and name HB )) (( segid " " and resid 64 and name HD2 )) OR { 1126} (( segid " " and resid 63 and name HB )) (( segid " " and resid 64 and name HD1 )) ASSI { 1131} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 61 and name HN )) 3.400 1.500 1.500 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.61633E-03 ppm1 1.006 ppm2 8.701 CV 1 OR { 1131} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 16 and name HN )) ASSI { 1134} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 16 and name HD22)) 3.400 1.500 1.500 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 1.003 ppm2 8.077 CV 1 OR { 1134} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 16 and name HD22)) OR { 1134} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 46 and name HN )) ASSI { 1136} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 26 and name HN )) 4.700 2.700 1.300 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.51406E-03 ppm1 1.007 ppm2 7.496 CV 1 OR { 1136} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 26 and name HN )) OR { 1136} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 62 and name HN )) ASSI { 1137} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 22 and name HA )) 4.000 2.000 2.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.17300E-02 ppm1 1.004 ppm2 4.305 CV 1 OR { 1137} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 22 and name HA )) OR { 1137} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 41 and name HA )) ASSI { 1142} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 16 and name HB1 )) 3.000 1.100 1.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.29422E-02 ppm1 0.969 ppm2 3.104 CV 1 OR { 1142} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 75 and name HB1 )) OR { 1142} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 75 and name HB2 )) ASSI { 1143} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HB )) 2.000 0.500 0.500 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.19402E-01 ppm1 1.004 ppm2 2.041 CV 1 OR { 1143} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 48 and name HB )) OR { 1143} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HB )) ASSI { 1144} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HG2 )) 3.000 1.100 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.37001E-02 ppm1 1.003 ppm2 2.294 CV 1 OR { 1144} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 24 and name HG2 )) OR { 1144} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 24 and name HG1 )) OR { 1144} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 26 and name HB )) OR { 1144} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 45 and name HB1 )) OR { 1144} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HB1 )) OR { 1144} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 51 and name HG2 )) OR { 1144} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HG2 )) OR { 1144} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HG1 )) OR { 1144} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 26 and name HB )) OR { 1144} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 46 and name HB )) ASSI { 1146} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 12 and name HB% ) 2.300 0.700 0.700 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.80411E-02 ppm1 0.966 ppm2 1.685 CV 1 OR { 1146} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 12 and name HB% ) OR { 1146} ( segid " " and resid 23 and name HG1%) ( segid " " and resid 12 and name HB% ) ASSI { 1151} (( segid " " and resid 25 and name HA )) (( segid " " and resid 30 and name HE1 )) 3.400 1.500 1.500 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 4.602 ppm2 3.057 CV 1 OR { 1151} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HE1 )) OR { 1151} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HE2 )) ASSI { 1152} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 22 and name HD1 )) 5.400 3.700 0.600 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.30592E-03 ppm1 2.681 ppm2 4.038 CV 1 OR { 1152} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 24 and name HA )) OR { 1152} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 32 and name HA )) ASSI { 1165} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 21 and name HG12)) 5.300 3.500 0.700 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.30050E-03 ppm1 2.683 ppm2 1.339 CV 1 OR { 1165} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 30 and name HB2 )) OR { 1165} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 21 and name HG11)) OR { 1165} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 30 and name HG2 )) ASSI { 1166} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 21 and name HG12)) 5.300 3.500 0.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.43938E-03 ppm1 2.606 ppm2 1.337 CV 1 OR { 1166} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 30 and name HG2 )) OR { 1166} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 27 and name HG1 )) OR { 1166} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 21 and name HG11)) OR { 1166} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 30 and name HB2 )) ASSI { 1170} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 63 and name HG1%) 3.800 1.800 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.11579E-02 ppm1 2.606 ppm2 0.769 CV 1 OR { 1170} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 36 and name HD2%) OR { 1170} (( segid " " and resid 60 and name HB1 )) ( segid " " and resid 63 and name HG1%) ASSI { 1171} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HG2 )) 3.300 1.400 1.400 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.13583E-02 ppm1 4.609 ppm2 1.338 CV 1 OR { 1171} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HG1 )) OR { 1171} (( segid " " and resid 25 and name HA )) (( segid " " and resid 30 and name HG2 )) OR { 1171} (( segid " " and resid 25 and name HA )) (( segid " " and resid 30 and name HB2 )) ASSI { 1172} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HG1 )) 4.500 2.500 1.500 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.27503E-03 ppm1 4.597 ppm2 2.295 CV 1 OR { 1172} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HG2 )) OR { 1172} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HB )) OR { 1172} (( segid " " and resid 25 and name HA )) (( segid " " and resid 36 and name HB1 )) ASSI { 1174} (( segid " " and resid 25 and name HA )) (( segid " " and resid 30 and name HD1 )) 5.200 3.300 0.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.24757E-03 ppm1 4.604 ppm2 1.615 CV 1 OR { 1174} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HD2 )) OR { 1174} (( segid " " and resid 25 and name HA )) (( segid " " and resid 21 and name HB )) OR { 1174} (( segid " " and resid 25 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 1175} (( segid " " and resid 25 and name HA )) (( segid " " and resid 22 and name HB2 )) 4.600 2.600 1.400 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.58148E-03 ppm1 4.599 ppm2 1.749 CV 1 OR { 1175} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HD1 )) ASSI { 1177} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.24828E-02 ppm1 3.542 ppm2 7.491 CV 1 OR { 1177} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HN )) OR { 1177} (( segid " " and resid 26 and name HA )) (( segid " " and resid 36 and name HN )) ASSI { 1179} (( segid " " and resid 26 and name HB )) (( segid " " and resid 12 and name HN )) 4.900 3.000 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.35359E-03 ppm1 2.337 ppm2 8.922 CV 1 OR { 1179} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 12 and name HN )) ASSI { 1180} (( segid " " and resid 26 and name HA )) (( segid " " and resid 32 and name HA )) 5.300 3.500 0.700 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.46084E-03 ppm1 3.537 ppm2 4.059 CV 1 OR { 1180} (( segid " " and resid 26 and name HA )) (( segid " " and resid 12 and name HA )) ASSI { 1181} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HA )) 4.200 2.200 1.800 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.49122E-03 ppm1 3.540 ppm2 4.620 CV 1 OR { 1181} (( segid " " and resid 26 and name HA )) (( segid " " and resid 25 and name HA )) ASSI { 1183} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB )) 2.900 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.20499E-02 ppm1 3.542 ppm2 2.337 CV 1 OR { 1183} (( segid " " and resid 26 and name HA )) (( segid " " and resid 36 and name HB1 )) ASSI { 1184} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB1 )) 4.200 2.200 1.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.70024E-03 ppm1 3.543 ppm2 2.058 CV 1 OR { 1184} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HB1 )) ASSI { 1186} (( segid " " and resid 26 and name HA )) ( segid " " and resid 12 and name HB% ) 4.800 2.900 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.60477E-03 ppm1 3.538 ppm2 1.687 CV 1 OR { 1186} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HD1 )) OR { 1186} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HD2 )) ASSI { 1187} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HB2 )) 4.400 2.400 1.600 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.71230E-03 ppm1 3.543 ppm2 1.557 CV 1 OR { 1187} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HD1 )) ASSI { 1188} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.500 1.500 1.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.15226E-02 ppm1 3.542 ppm2 1.343 CV 1 OR { 1188} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HG2 )) OR { 1188} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HG2 )) OR { 1188} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HG1 )) OR { 1188} (( segid " " and resid 26 and name HA )) (( segid " " and resid 21 and name HG11)) ASSI { 1189} (( segid " " and resid 26 and name HA )) ( segid " " and resid 21 and name HG2%) 4.000 2.000 2.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.75350E-03 ppm1 3.541 ppm2 1.026 CV 1 OR { 1189} (( segid " " and resid 26 and name HA )) ( segid " " and resid 15 and name HG1%) ASSI { 1190} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HG2%) 2.300 0.700 0.700 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.56572E-02 ppm1 3.542 ppm2 0.924 CV 1 OR { 1190} (( segid " " and resid 26 and name HA )) ( segid " " and resid 8 and name HG1%) ASSI { 1191} (( segid " " and resid 26 and name HA )) ( segid " " and resid 36 and name HD2%) 2.100 0.500 0.500 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.81033E-02 ppm1 3.542 ppm2 0.746 CV 1 OR { 1191} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 1192} (( segid " " and resid 26 and name HA )) ( segid " " and resid 36 and name HD1%) 2.600 0.900 0.900 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.17299E-02 ppm1 3.541 ppm2 0.608 CV 1 OR { 1192} (( segid " " and resid 26 and name HA )) ( segid " " and resid 69 and name HG2%) ASSI { 1194} (( segid " " and resid 26 and name HB )) ( segid " " and resid 26 and name HG2%) 2.200 0.600 0.600 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.85299E-02 ppm1 2.335 ppm2 0.928 CV 1 OR { 1194} (( segid " " and resid 26 and name HB )) ( segid " " and resid 8 and name HG1%) OR { 1194} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 18 and name HG2%) ASSI { 1195} (( segid " " and resid 26 and name HB )) ( segid " " and resid 26 and name HG1%) 2.100 0.600 0.600 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.79320E-02 ppm1 2.339 ppm2 0.739 CV 1 OR { 1195} (( segid " " and resid 26 and name HB )) ( segid " " and resid 36 and name HD2%) ASSI { 1197} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 12 and name HA )) 2.400 0.700 0.700 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.78566E-02 ppm1 0.740 ppm2 4.054 CV 1 OR { 1197} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 32 and name HA )) ASSI { 1198} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 26 and name HA )) 2.200 0.600 0.600 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.67996E-02 ppm1 0.740 ppm2 3.543 CV 1 OR { 1198} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 28 and name HA )) ASSI { 1199} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 8 and name HA )) 3.700 1.700 1.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.88483E-03 ppm1 0.741 ppm2 3.391 CV 1 OR { 1199} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 69 and name HA )) ASSI { 1200} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HA )) 2.400 0.700 0.700 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.59477E-02 ppm1 0.928 ppm2 3.546 CV 1 OR { 1200} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 26 and name HA )) OR { 1200} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 76 and name HA )) OR { 1200} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HB1 )) ASSI { 1201} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 12 and name HA )) 2.200 0.600 0.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.71025E-02 ppm1 0.929 ppm2 4.053 CV 1 OR { 1201} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HA )) OR { 1201} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 32 and name HA )) OR { 1201} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 12 and name HA )) OR { 1201} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 12 and name HA )) ASSI { 1202} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 9 and name HA )) 4.500 2.600 1.500 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.27772E-03 ppm1 0.736 ppm2 4.235 CV 1 OR { 1202} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 11 and name HA )) OR { 1202} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 73 and name HB )) ASSI { 1203} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 9 and name HA )) 4.900 3.000 1.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.10584E-03 ppm1 0.737 ppm2 4.181 CV 1 OR { 1203} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 73 and name HB )) OR { 1203} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 40 and name HA )) ASSI { 1204} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 27 and name HA )) 4.100 2.100 1.900 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.45242E-03 ppm1 0.741 ppm2 4.635 CV 1 OR { 1204} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 25 and name HA )) ASSI { 1206} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 27 and name HN )) 4.100 2.100 1.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.95974E-03 ppm1 0.930 ppm2 6.350 CV 1 OR { 1206} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 27 and name HN )) ASSI { 1209} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 32 and name HZ )) 3.900 1.900 1.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.28112E-03 ppm1 0.737 ppm2 6.853 CV 1 OR { 1209} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 16 and name HD21)) ASSI { 1213} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 25 and name HN )) 5.100 3.300 0.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.22038E-03 ppm1 0.737 ppm2 7.761 CV 1 OR { 1213} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 35 and name HN )) ASSI { 1215} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 26 and name HN )) 3.900 1.900 1.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.16640E-02 ppm1 0.739 ppm2 7.488 CV 1 OR { 1215} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 30 and name HN )) OR { 1215} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 4 and name HE22)) ASSI { 1216} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 26 and name HN )) 2.200 0.600 0.600 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.61117E-02 ppm1 0.928 ppm2 7.486 CV 1 OR { 1216} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 4 and name HE22)) OR { 1216} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 54 and name HD% ) OR { 1216} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 26 and name HN )) ASSI { 1217} (( segid " " and resid 26 and name HA )) (( segid " " and resid 25 and name HN )) 5.400 3.700 0.600 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.17219E-03 ppm1 3.539 ppm2 7.749 CV 1 OR { 1217} (( segid " " and resid 26 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 1219} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HN )) 3.600 1.600 1.600 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 0.930 ppm2 7.744 CV 1 OR { 1219} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 25 and name HN )) OR { 1219} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HN )) OR { 1219} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HE22)) OR { 1219} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 25 and name HN )) ASSI { 1220} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.31703E-03 ppm1 0.741 ppm2 9.235 CV 1 OR { 1220} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 24 and name HN )) ASSI { 1226} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 8 and name HN )) 5.400 3.700 0.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.17528E-03 ppm1 0.736 ppm2 8.393 CV 1 OR { 1226} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 29 and name HN )) OR { 1226} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 7 and name HN )) ASSI { 1227} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 8 and name HN )) 5.600 4.000 0.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.14628E-03 ppm1 0.732 ppm2 8.363 CV 1 OR { 1227} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 29 and name HN )) OR { 1227} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 71 and name HN )) OR { 1227} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 7 and name HN )) ASSI { 1228} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 15 and name HN )) 4.400 2.400 1.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.59107E-03 ppm1 0.926 ppm2 8.822 CV 1 OR { 1228} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 15 and name HN )) ASSI { 1241} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 35 and name HB2 )) 4.300 2.300 1.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.11784E-02 ppm1 1.570 ppm2 2.713 CV 1 OR { 1241} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 80 and name HG1 )) OR { 1241} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 54 and name HB2 )) ASSI { 1244} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HE1 )) 2.800 1.000 1.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.22727E-02 ppm1 1.475 ppm2 3.012 CV 1 OR { 1244} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1245} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HA )) 2.600 0.900 0.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.27969E-02 ppm1 1.571 ppm2 4.398 CV 1 OR { 1245} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 3 and name HA )) ASSI { 1248} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HB1 )) 3.100 1.200 1.200 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.13141E-02 ppm1 1.472 ppm2 2.060 CV 1 OR { 1248} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 27 and name HB1 )) ASSI { 1249} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HG1 )) 2.500 0.800 0.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.38253E-02 ppm1 1.573 ppm2 1.802 CV 1 OR { 1249} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 7 and name HB )) OR { 1249} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 76 and name HB )) ASSI { 1261} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 74 and name HE1 )) 2.700 0.900 0.900 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.32615E-02 ppm1 1.741 ppm2 3.060 CV 1 OR { 1261} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HE1 )) OR { 1261} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HE1 )) OR { 1261} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE2 )) OR { 1261} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HE2 )) OR { 1261} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 74 and name HE2 )) OR { 1261} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE1 )) OR { 1261} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HE2 )) ASSI { 1262} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 27 and name HN )) 2.900 1.000 1.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.27004E-02 ppm1 1.344 ppm2 6.354 CV 1 OR { 1262} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HN )) OR { 1262} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 27 and name HN )) ASSI { 1263} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HE1 )) 2.800 1.000 1.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.30660E-02 ppm1 1.344 ppm2 3.034 CV 1 OR { 1263} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HE2 )) OR { 1263} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 27 and name HE2 )) OR { 1263} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HE1 )) OR { 1263} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 27 and name HE1 )) OR { 1263} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1264} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 27 and name HB1 )) 2.300 0.700 0.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.89063E-02 ppm1 1.342 ppm2 2.059 CV 1 OR { 1264} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HB1 )) OR { 1264} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HB1 )) OR { 1264} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 27 and name HB1 )) ASSI { 1265} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 29 and name HN )) 4.600 2.600 1.400 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.40421E-03 ppm1 1.335 ppm2 8.384 CV 1 OR { 1265} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 29 and name HN )) OR { 1265} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 29 and name HN )) ASSI { 1267} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HN )) 3.100 1.200 1.200 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.19611E-02 ppm1 1.347 ppm2 7.499 CV 1 OR { 1267} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 26 and name HN )) OR { 1267} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 30 and name HN )) OR { 1267} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 26 and name HN )) OR { 1267} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 30 and name HN )) ASSI { 1271} (( segid " " and resid 28 and name HA )) (( segid " " and resid 73 and name HN )) 5.400 3.600 0.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.19251E-03 ppm1 3.584 ppm2 8.646 CV 1 OR { 1271} (( segid " " and resid 28 and name HA )) (( segid " " and resid 68 and name HN )) ASSI { 1273} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 3.600 1.600 1.600 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.97792E-03 ppm1 3.580 ppm2 8.374 CV 1 OR { 1273} (( segid " " and resid 28 and name HA )) (( segid " " and resid 71 and name HN )) ASSI { 1276} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HN )) 3.700 1.700 1.700 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.63556E-03 ppm1 3.585 ppm2 7.501 CV 1 OR { 1276} (( segid " " and resid 28 and name HA )) (( segid " " and resid 4 and name HE22)) ASSI { 1280} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) 3.900 1.900 1.900 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.10126E-02 ppm1 1.468 ppm2 8.381 CV 1 OR { 1280} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 71 and name HN )) ASSI { 1282} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HN )) 3.400 1.500 1.500 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.15007E-02 ppm1 1.736 ppm2 8.381 CV 1 OR { 1282} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 71 and name HN )) ASSI { 1289} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HA )) 4.900 3.000 1.100 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.37102E-03 ppm1 1.756 ppm2 4.487 CV 1 OR { 1289} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 71 and name HA )) ASSI { 1290} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HA )) 5.000 3.200 1.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.22956E-03 ppm1 1.467 ppm2 4.487 CV 1 OR { 1290} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 71 and name HA )) ASSI { 1292} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HA )) 5.800 4.300 0.200 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.75350E-04 ppm1 3.580 ppm2 4.473 CV 1 OR { 1292} (( segid " " and resid 28 and name HA )) (( segid " " and resid 71 and name HA )) ASSI { 1299} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HB1 )) 4.400 2.400 1.600 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.37947E-03 ppm1 3.581 ppm2 2.054 CV 1 OR { 1299} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 1301} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HB2 )) 5.300 3.500 0.700 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.14880E-03 ppm1 3.584 ppm2 1.577 CV 1 OR { 1301} (( segid " " and resid 28 and name HA )) ( segid " " and resid 72 and name HB% ) OR { 1301} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HD1 )) ASSI { 1303} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HB2 )) 4.600 2.700 1.400 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.32655E-03 ppm1 3.584 ppm2 1.342 CV 1 OR { 1303} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HG2 )) OR { 1303} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HG1 )) OR { 1303} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HG2 )) ASSI { 1304} (( segid " " and resid 28 and name HA )) ( segid " " and resid 8 and name HG2%) 3.900 1.900 1.900 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.57280E-03 ppm1 3.580 ppm2 1.049 CV 1 OR { 1304} (( segid " " and resid 28 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 1305} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HD2%) 3.900 1.900 1.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.14741E-02 ppm1 3.585 ppm2 0.911 CV 1 OR { 1305} (( segid " " and resid 28 and name HA )) ( segid " " and resid 8 and name HG1%) ASSI { 1307} (( segid " " and resid 28 and name HA )) ( segid " " and resid 26 and name HG1%) 5.300 3.400 0.700 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.34824E-03 ppm1 3.577 ppm2 0.728 CV 1 OR { 1307} (( segid " " and resid 28 and name HA )) ( segid " " and resid 36 and name HD2%) ASSI { 1311} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 69 and name HB )) 5.300 3.500 0.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.22058E-03 ppm1 1.734 ppm2 2.271 CV 1 OR { 1311} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 4 and name HG1 )) ASSI { 1312} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 27 and name HB1 )) 4.100 2.100 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.38648E-03 ppm1 1.727 ppm2 2.061 CV 1 OR { 1312} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 4 and name HB2 )) ASSI { 1317} (( segid " " and resid 28 and name HG )) (( segid " " and resid 70 and name HA1 )) 5.200 3.400 0.800 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.20999E-03 ppm1 1.766 ppm2 4.016 CV 1 OR { 1317} (( segid " " and resid 41 and name HG )) (( segid " " and resid 42 and name HB1 )) ASSI { 1319} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name H28A)) 4.600 2.600 1.400 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.31600E-03 ppm1 1.762 ppm2 3.784 CV 1 OR { 1319} (( segid " " and resid 28 and name HG )) (( segid " " and resid 70 and name HA2 )) ASSI { 1321} (( segid " " and resid 41 and name HG )) (( segid " " and resid 39 and name HA )) 4.300 2.300 1.700 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.38327E-03 ppm1 1.764 ppm2 4.629 CV 1 OR { 1321} (( segid " " and resid 28 and name HG )) (( segid " " and resid 27 and name HA )) ASSI { 1324} (( segid " " and resid 28 and name HG )) (( segid " " and resid 69 and name HB )) 5.400 3.700 0.600 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.22981E-03 ppm1 1.768 ppm2 2.285 CV 1 OR { 1324} (( segid " " and resid 41 and name HG )) (( segid " " and resid 45 and name HG2 )) OR { 1324} (( segid " " and resid 41 and name HG )) (( segid " " and resid 43 and name HG2 )) ASSI { 1326} (( segid " " and resid 28 and name HG )) ( segid " " and resid 8 and name HG2%) 4.000 2.000 2.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.87395E-03 ppm1 1.773 ppm2 1.048 CV 1 OR { 1326} (( segid " " and resid 28 and name HG )) ( segid " " and resid 68 and name HG2%) OR { 1326} (( segid " " and resid 41 and name HG )) ( segid " " and resid 15 and name HG1%) ASSI { 1334} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 69 and name HA )) 5.000 3.100 1.000 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.45433E-03 ppm1 0.810 ppm2 3.392 CV 1 OR { 1334} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 8 and name HA )) ASSI { 1335} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 29 and name HA )) 4.700 2.800 1.300 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.20835E-03 ppm1 0.810 ppm2 4.498 CV 1 OR { 1335} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 1338} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 68 and name HB )) 5.300 3.600 0.700 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.14320E-03 ppm1 0.812 ppm2 4.351 CV 1 OR { 1338} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 30 and name HA )) ASSI { 1345} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 4 and name HE21)) 4.600 2.700 1.400 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.33763E-03 ppm1 0.810 ppm2 6.837 CV 1 OR { 1345} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 32 and name HZ )) ASSI { 1348} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 4 and name HE22)) 4.200 2.200 1.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.31725E-03 ppm1 0.908 ppm2 7.503 CV 1 OR { 1348} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 30 and name HN )) ASSI { 1349} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 72 and name HN )) 6.000 6.000 0.000 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.33787E-04 ppm1 0.812 ppm2 8.196 CV 1 OR { 1349} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 32 and name HN )) ASSI { 1350} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 69 and name HN )) 5.600 4.000 0.400 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.22013E-03 ppm1 0.808 ppm2 8.144 CV 1 OR { 1350} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 72 and name HN )) ASSI { 1355} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 73 and name HN )) 5.000 3.100 1.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.49825E-03 ppm1 0.810 ppm2 8.637 CV 1 OR { 1355} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 68 and name HN )) ASSI { 1358} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 29 and name HN )) 4.600 2.600 1.400 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.50634E-03 ppm1 0.806 ppm2 8.363 CV 1 OR { 1358} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 71 and name HN )) ASSI { 1366} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.200 1.300 1.300 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.28308E-02 ppm1 2.055 ppm2 7.501 CV 1 OR { 1366} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HN )) ASSI { 1370} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.800 1.000 1.000 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.25151E-02 ppm1 4.400 ppm2 7.502 CV 1 OR { 1370} (( segid " " and resid 36 and name HA )) (( segid " " and resid 26 and name HN )) ASSI { 1372} (( segid " " and resid 30 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.900 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.16868E-02 ppm1 4.400 ppm2 3.044 CV 1 OR { 1372} (( segid " " and resid 36 and name HA )) (( segid " " and resid 35 and name HB1 )) OR { 1372} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HE1 )) ASSI { 1374} (( segid " " and resid 30 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.400 1.400 1.400 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.92776E-03 ppm1 4.404 ppm2 2.723 CV 1 OR { 1374} (( segid " " and resid 36 and name HA )) (( segid " " and resid 25 and name HB1 )) OR { 1374} (( segid " " and resid 36 and name HA )) (( segid " " and resid 35 and name HB2 )) ASSI { 1377} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HD1 )) 2.400 0.700 0.700 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.53069E-02 ppm1 4.400 ppm2 1.566 CV 1 OR { 1377} (( segid " " and resid 30 and name HA )) (( segid " " and resid 27 and name HB2 )) ASSI { 1378} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HD2 )) 2.600 0.800 0.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.35512E-02 ppm1 4.399 ppm2 1.470 CV 1 OR { 1378} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG )) OR { 1378} (( segid " " and resid 30 and name HA )) (( segid " " and resid 36 and name HG )) ASSI { 1383} (( segid " " and resid 36 and name HA )) (( segid " " and resid 32 and name HA )) 5.000 3.200 1.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.50406E-03 ppm1 4.400 ppm2 4.124 CV 1 OR { 1383} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HB1 )) OR { 1383} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HA )) ASSI { 1387} (( segid " " and resid 30 and name HA )) (( segid " " and resid 27 and name HN )) 6.000 4.700 0.000 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.19347E-03 ppm1 4.400 ppm2 6.346 CV 1 OR { 1387} (( segid " " and resid 36 and name HA )) (( segid " " and resid 27 and name HN )) ASSI { 1388} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.96508E-03 ppm1 2.053 ppm2 3.037 CV 1 OR { 1388} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HE1 )) ASSI { 1389} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 35 and name HB1 )) 3.700 1.700 1.700 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.14952E-02 ppm1 1.384 ppm2 3.040 CV 1 OR { 1389} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HE1 )) ASSI { 1390} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 35 and name HB2 )) 4.600 2.600 1.400 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.99998E-03 ppm1 1.383 ppm2 2.715 CV 1 OR { 1390} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 25 and name HB1 )) ASSI { 1391} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 4.200 2.200 1.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.55051E-03 ppm1 2.052 ppm2 2.716 CV 1 OR { 1391} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 25 and name HB1 )) ASSI { 1392} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HA )) 4.700 2.700 1.300 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.19752E-03 ppm1 1.391 ppm2 3.568 CV 1 OR { 1392} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 28 and name HA )) ASSI { 1393} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.16510E-02 ppm1 2.054 ppm2 4.397 CV 1 OR { 1393} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1394} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 36 and name HB1 )) 4.500 2.500 1.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.60254E-03 ppm1 2.044 ppm2 2.289 CV 1 OR { 1394} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 69 and name HB )) OR { 1394} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HB )) ASSI { 1395} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 69 and name HB )) 4.200 2.200 1.800 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.35158E-03 ppm1 1.380 ppm2 2.278 CV 1 OR { 1395} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 36 and name HB1 )) ASSI { 1396} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 1.600 0.300 0.600 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.81147E-02 ppm1 1.383 ppm2 2.052 CV 1 OR { 1396} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 27 and name HB1 )) ASSI { 1398} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HD1 )) 3.200 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.19152E-02 ppm1 2.054 ppm2 1.570 CV 1 OR { 1398} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 27 and name HB2 )) ASSI { 1402} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 36 and name HD1%) 3.600 1.600 1.600 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.99002E-03 ppm1 2.057 ppm2 0.605 CV 1 OR { 1402} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 69 and name HG2%) ASSI { 1408} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 26 and name HA )) 4.400 2.400 1.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.62844E-03 ppm1 1.808 ppm2 3.539 CV 1 OR { 1408} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 28 and name HA )) ASSI { 1409} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HE1 )) 2.900 1.100 1.100 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.19580E-02 ppm1 1.809 ppm2 3.004 CV 1 OR { 1409} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 35 and name HB1 )) OR { 1409} (( segid " " and resid 66 and name HG )) (( segid " " and resid 65 and name HB1 )) ASSI { 1410} (( segid " " and resid 66 and name HG )) (( segid " " and resid 65 and name HB2 )) 3.700 1.700 1.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.57011E-03 ppm1 1.806 ppm2 2.713 CV 1 OR { 1410} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 35 and name HB2 )) OR { 1410} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 25 and name HB1 )) ASSI { 1412} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HB1 )) 2.400 0.700 0.700 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.39764E-02 ppm1 1.805 ppm2 2.052 CV 1 OR { 1412} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 27 and name HB1 )) OR { 1412} (( segid " " and resid 66 and name HG )) (( segid " " and resid 63 and name HB )) ASSI { 1413} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 35 and name HB2 )) 4.800 2.900 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.54183E-03 ppm1 1.344 ppm2 2.709 CV 1 OR { 1413} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 25 and name HB1 )) OR { 1413} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 25 and name HB1 )) OR { 1413} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 25 and name HB1 )) ASSI { 1414} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 26 and name HA )) 4.300 2.300 1.700 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.69572E-03 ppm1 1.347 ppm2 3.538 CV 1 OR { 1414} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 26 and name HA )) OR { 1414} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 26 and name HA )) OR { 1414} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 28 and name HA )) OR { 1414} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 28 and name HA )) ASSI { 1415} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HA )) 3.400 1.400 1.400 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.14515E-02 ppm1 1.347 ppm2 4.396 CV 1 OR { 1415} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 36 and name HA )) OR { 1415} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 30 and name HA )) ASSI { 1416} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HA )) 3.300 1.400 1.400 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.12990E-02 ppm1 1.804 ppm2 4.401 CV 1 OR { 1416} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 36 and name HA )) ASSI { 1417} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HN )) 3.900 1.900 1.900 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 1.810 ppm2 7.498 CV 1 OR { 1417} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 26 and name HN )) ASSI { 1419} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HD1 )) 2.700 0.900 0.900 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.53786E-02 ppm1 1.804 ppm2 1.561 CV 1 OR { 1419} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 27 and name HB2 )) OR { 1419} (( segid " " and resid 66 and name HG )) ( segid " " and resid 72 and name HB% ) ASSI { 1420} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 27 and name HB2 )) 2.000 0.500 0.500 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.93704E-02 ppm1 1.346 ppm2 1.551 CV 1 OR { 1420} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HB2 )) OR { 1420} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 27 and name HB2 )) OR { 1420} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HD1 )) ASSI { 1421} (( segid " " and resid 30 and name HG2 )) ( segid " " and resid 36 and name HD1%) 5.400 3.700 0.600 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.20833E-03 ppm1 1.355 ppm2 0.606 CV 1 OR { 1421} (( segid " " and resid 27 and name HG1 )) ( segid " " and resid 69 and name HG2%) OR { 1421} (( segid " " and resid 30 and name HG2 )) ( segid " " and resid 69 and name HG2%) OR { 1421} (( segid " " and resid 27 and name HG2 )) ( segid " " and resid 69 and name HG2%) OR { 1421} (( segid " " and resid 27 and name HG1 )) ( segid " " and resid 36 and name HD1%) ASSI { 1422} (( segid " " and resid 30 and name HG2 )) ( segid " " and resid 69 and name HG1%) 4.800 2.900 1.200 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.41555E-03 ppm1 1.347 ppm2 0.446 CV 1 OR { 1422} (( segid " " and resid 27 and name HG2 )) ( segid " " and resid 69 and name HG1%) OR { 1422} (( segid " " and resid 27 and name HG1 )) ( segid " " and resid 69 and name HG1%) ASSI { 1423} (( segid " " and resid 66 and name HG )) ( segid " " and resid 66 and name HD2%) 2.400 0.700 0.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.41069E-02 ppm1 1.798 ppm2 0.601 CV 1 OR { 1423} (( segid " " and resid 30 and name HG1 )) ( segid " " and resid 36 and name HD1%) OR { 1423} (( segid " " and resid 30 and name HG1 )) ( segid " " and resid 69 and name HG2%) ASSI { 1431} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 68 and name HG2%) 3.200 1.300 1.300 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.19896E-02 ppm1 4.100 ppm2 1.059 CV 1 OR { 1431} (( segid " " and resid 32 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 1433} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HG )) 2.600 0.900 0.900 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19515E-02 ppm1 4.093 ppm2 1.463 CV 1 OR { 1433} (( segid " " and resid 32 and name HA )) ( segid " " and resid 43 and name HE% ) ASSI { 1434} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 36 and name HG )) 5.300 3.500 0.700 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.24855E-03 ppm1 3.858 ppm2 1.462 CV 1 OR { 1434} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 67 and name HG2 )) OR { 1434} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 30 and name HD2 )) ASSI { 1438} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 67 and name HB2 )) 5.100 3.300 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.20649E-03 ppm1 3.864 ppm2 2.060 CV 1 OR { 1438} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 30 and name HB1 )) OR { 1438} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 67 and name HB1 )) ASSI { 1440} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 67 and name HB2 )) 4.200 2.200 1.800 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.55896E-03 ppm1 4.104 ppm2 2.048 CV 1 OR { 1440} (( segid " " and resid 32 and name HA )) (( segid " " and resid 30 and name HB1 )) OR { 1440} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 67 and name HB1 )) OR { 1440} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 30 and name HB1 )) ASSI { 1441} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.59852E-02 ppm1 4.088 ppm2 2.298 CV 1 OR { 1441} (( segid " " and resid 32 and name HA )) (( segid " " and resid 69 and name HB )) OR { 1441} (( segid " " and resid 32 and name HA )) (( segid " " and resid 40 and name H2A )) OR { 1441} (( segid " " and resid 32 and name HA )) (( segid " " and resid 40 and name H2B )) OR { 1441} (( segid " " and resid 32 and name HA )) (( segid " " and resid 26 and name HB )) ASSI { 1443} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 34 and name HB1 )) 3.100 1.200 1.200 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.11972E-02 ppm1 4.099 ppm2 2.764 CV 1 OR { 1443} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 35 and name HB2 )) ASSI { 1444} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HB1 )) 4.500 2.600 1.500 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.76273E-03 ppm1 4.096 ppm2 3.061 CV 1 OR { 1444} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 35 and name HB1 )) OR { 1444} (( segid " " and resid 32 and name HA )) (( segid " " and resid 37 and name HB1 )) ASSI { 1451} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 33 and name HA )) 5.100 3.300 0.900 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.24372E-03 ppm1 3.873 ppm2 4.491 CV 1 OR { 1451} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 29 and name HA )) OR { 1451} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 67 and name HA )) ASSI { 1452} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 30 and name HA )) 4.300 2.300 1.700 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.10036E-02 ppm1 3.867 ppm2 4.392 CV 1 OR { 1452} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 68 and name HB )) ASSI { 1453} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HA )) 4.300 2.300 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.14154E-02 ppm1 4.096 ppm2 4.388 CV 1 OR { 1453} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 30 and name HA )) OR { 1453} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 68 and name HB )) OR { 1453} (( segid " " and resid 32 and name HA )) (( segid " " and resid 37 and name HA )) OR { 1453} (( segid " " and resid 32 and name HA )) (( segid " " and resid 30 and name HA )) ASSI { 1454} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HA )) 4.200 2.200 1.800 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.48889E-03 ppm1 4.094 ppm2 4.491 CV 1 OR { 1454} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 33 and name HA )) OR { 1454} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 67 and name HA )) OR { 1454} (( segid " " and resid 32 and name HA )) (( segid " " and resid 67 and name HA )) OR { 1454} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 29 and name HA )) ASSI { 1455} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.400 0.700 0.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.32606E-02 ppm1 4.918 ppm2 4.098 CV 1 OR { 1455} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HA )) ASSI { 1457} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HB2 )) 4.800 2.800 1.200 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.44884E-03 ppm1 4.917 ppm2 3.162 CV 1 OR { 1457} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HB1 )) OR { 1457} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB1 )) ASSI { 1461} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.400 1.500 1.500 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.12628E-02 ppm1 4.102 ppm2 7.714 CV 1 OR { 1461} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 1463} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HN )) 3.300 1.300 1.300 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.12948E-02 ppm1 4.087 ppm2 7.448 CV 1 OR { 1463} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 36 and name HN )) ASSI { 1469} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 2.600 0.800 0.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.26282E-02 ppm1 4.091 ppm2 8.222 CV 1 OR { 1469} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1471} (( segid " " and resid 32 and name HA )) (( segid " " and resid 34 and name HN )) 4.200 2.200 1.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.38405E-03 ppm1 4.097 ppm2 7.966 CV 1 OR { 1471} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 34 and name HN )) ASSI { 1473} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 3.300 1.400 1.400 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.11287E-02 ppm1 4.090 ppm2 8.645 CV 1 OR { 1473} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 33 and name HN )) OR { 1473} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 68 and name HN )) ASSI { 1478} (( segid " " and resid 32 and name HA )) ( segid " " and resid 38 and name HG2%) 3.600 1.600 1.600 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.22494E-02 ppm1 4.088 ppm2 0.947 CV 1 OR { 1478} (( segid " " and resid 32 and name HA )) ( segid " " and resid 38 and name HG1%) OR { 1478} (( segid " " and resid 32 and name HA )) ( segid " " and resid 26 and name HG2%) OR { 1478} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 38 and name HG1%) ASSI { 1479} (( segid " " and resid 32 and name HA )) ( segid " " and resid 36 and name HD2%) 4.300 2.300 1.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.11397E-02 ppm1 4.086 ppm2 0.776 CV 1 OR { 1479} (( segid " " and resid 32 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 1480} (( segid " " and resid 32 and name HA )) ( segid " " and resid 36 and name HD1%) 2.100 0.600 0.600 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.57920E-02 ppm1 4.088 ppm2 0.602 CV 1 OR { 1480} (( segid " " and resid 32 and name HA )) ( segid " " and resid 69 and name HG2%) ASSI { 1482} (( segid " " and resid 32 and name HA )) ( segid " " and resid 69 and name HG1%) 5.200 3.300 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.40250E-03 ppm1 4.090 ppm2 0.439 CV 1 OR { 1482} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 69 and name HG1%) ASSI { 1485} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.200 0.600 0.600 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.31014E-02 ppm1 4.086 ppm2 1.617 CV 1 OR { 1485} (( segid " " and resid 32 and name HA )) (( segid " " and resid 21 and name HB )) OR { 1485} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 67 and name HG1 )) ASSI { 1486} (( segid " " and resid 32 and name HA )) (( segid " " and resid 21 and name HG12)) 4.700 2.800 1.300 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.41578E-03 ppm1 4.089 ppm2 1.274 CV 1 OR { 1486} (( segid " " and resid 32 and name HA )) ( segid " " and resid 33 and name HG2%) OR { 1486} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 33 and name HG2%) OR { 1486} (( segid " " and resid 32 and name HA )) (( segid " " and resid 21 and name HG11)) ASSI { 1488} (( segid " " and resid 32 and name HA )) ( segid " " and resid 15 and name HG2%) 5.100 3.200 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.39731E-03 ppm1 4.084 ppm2 1.188 CV 1 OR { 1488} (( segid " " and resid 32 and name HA )) (( segid " " and resid 40 and name H3A )) ASSI { 1489} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) 2.200 0.600 0.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.59975E-02 ppm1 3.161 ppm2 4.088 CV 1 OR { 1489} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 72 and name HA )) OR { 1489} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HA )) ASSI { 1490} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 38 and name HA )) 4.900 3.000 1.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.45829E-03 ppm1 3.163 ppm2 3.957 CV 1 OR { 1490} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 74 and name HA )) OR { 1490} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 38 and name HA )) OR { 1490} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 43 and name HA )) OR { 1490} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 43 and name HA )) ASSI { 1493} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 33 and name HA )) 4.400 2.400 1.600 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.43416E-03 ppm1 3.163 ppm2 4.482 CV 1 OR { 1493} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 67 and name HA )) OR { 1493} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 33 and name HA )) OR { 1493} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 67 and name HA )) ASSI { 1498} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 32 and name HE% ) 3.900 1.900 1.900 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 3.160 ppm2 6.986 CV 1 OR { 1498} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 32 and name HE% ) OR { 1498} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 79 and name HD2 )) ASSI { 1499} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 38 and name HN )) 4.200 2.200 1.800 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.71134E-03 ppm1 3.163 ppm2 8.071 CV 1 OR { 1499} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 74 and name HN )) OR { 1499} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 1504} (( segid " " and resid 32 and name HA )) (( segid " " and resid 38 and name HN )) 4.600 2.600 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.38074E-03 ppm1 4.088 ppm2 8.097 CV 1 OR { 1504} (( segid " " and resid 32 and name HA )) (( segid " " and resid 69 and name HN )) OR { 1504} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 69 and name HN )) ASSI { 1506} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H43A)) 5.300 3.600 0.700 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.20493E-03 ppm1 7.192 ppm2 2.800 CV 1 OR { 1506} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H43B)) OR { 1506} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 34 and name HB1 )) ASSI { 1509} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 15 and name HB )) 4.300 2.300 1.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.54740E-03 ppm1 6.989 ppm2 2.255 CV 1 OR { 1509} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 69 and name HB )) OR { 1509} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H2B )) OR { 1509} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 36 and name HB1 )) OR { 1509} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H2A )) OR { 1509} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 46 and name HB )) ASSI { 1511} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 72 and name HB% ) 3.100 1.200 1.200 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.26840E-02 ppm1 6.987 ppm2 1.589 CV 1 OR { 1511} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 21 and name HB )) OR { 1511} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 19 and name HB% ) OR { 1511} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 36 and name HB2 )) ASSI { 1512} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 15 and name HG2%) 2.300 0.700 0.700 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.20973E-02 ppm1 6.988 ppm2 1.176 CV 1 OR { 1512} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H3A )) ASSI { 1513} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 15 and name HG1%) 3.000 1.200 1.200 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.10719E-02 ppm1 6.988 ppm2 0.984 CV 1 OR { 1513} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H5A )) OR { 1513} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H5B )) OR { 1513} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 21 and name HG2%) OR { 1513} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 38 and name HG1%) OR { 1513} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 46 and name HG2%) ASSI { 1514} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 11 and name HD1%) 3.300 1.400 1.400 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.13423E-02 ppm1 6.988 ppm2 0.866 CV 1 OR { 1514} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H4B )) OR { 1514} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H4A )) OR { 1514} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 11 and name HD2%) OR { 1514} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 21 and name HD1%) OR { 1514} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 8 and name HG1%) ASSI { 1516} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 36 and name HD1%) 3.100 1.200 1.200 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.12364E-02 ppm1 6.987 ppm2 0.653 CV 1 OR { 1516} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 69 and name HG2%) OR { 1516} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 40 and name H6% ) OR { 1516} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 46 and name HG1%) ASSI { 1518} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 43 and name HE% ) 4.300 2.300 1.700 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.33735E-03 ppm1 6.985 ppm2 1.456 CV 1 OR { 1518} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 36 and name HG )) OR { 1518} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 28 and name HB2 )) ASSI { 1524} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H2B )) 4.000 2.000 2.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.89318E-03 ppm1 7.192 ppm2 2.280 CV 1 OR { 1524} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 36 and name HB1 )) OR { 1524} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H2A )) OR { 1524} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 69 and name HB )) OR { 1524} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 15 and name HB )) OR { 1524} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 43 and name HG2 )) ASSI { 1526} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 43 and name HE% ) 3.400 1.500 1.500 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.81809E-03 ppm1 7.195 ppm2 1.451 CV 1 OR { 1526} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 36 and name HG )) ASSI { 1527} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H3A )) 3.100 1.200 1.200 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.84938E-03 ppm1 7.192 ppm2 1.178 CV 1 OR { 1527} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 15 and name HG2%) ASSI { 1528} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 38 and name HG1%) 3.300 1.400 1.400 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.26758E-02 ppm1 7.193 ppm2 0.942 CV 1 OR { 1528} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 38 and name HG2%) OR { 1528} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 26 and name HG2%) OR { 1528} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H5A )) OR { 1528} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H5B )) OR { 1528} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 63 and name HG2%) ASSI { 1529} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 26 and name HG1%) 5.300 3.500 0.700 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.25793E-03 ppm1 7.191 ppm2 0.771 CV 1 OR { 1529} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 36 and name HD2%) OR { 1529} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 63 and name HG1%) ASSI { 1530} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 36 and name HD1%) 2.800 1.000 1.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.16278E-02 ppm1 7.192 ppm2 0.602 CV 1 OR { 1530} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 69 and name HG2%) OR { 1530} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 40 and name H6% ) ASSI { 1531} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 69 and name HG1%) 5.100 3.200 0.900 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.36970E-03 ppm1 7.190 ppm2 0.439 CV 1 OR { 1531} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 66 and name HD1%) ASSI { 1534} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 67 and name HA )) 4.100 2.100 1.900 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.78726E-03 ppm1 7.195 ppm2 4.481 CV 1 OR { 1534} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 33 and name HA )) OR { 1534} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 66 and name HA )) ASSI { 1535} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.22944E-02 ppm1 7.193 ppm2 4.086 CV 1 OR { 1535} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 12 and name HA )) ASSI { 1536} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 33 and name HN )) 4.800 2.900 1.200 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.34203E-03 ppm1 7.188 ppm2 8.647 CV 1 OR { 1536} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 68 and name HN )) ASSI { 1537} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 32 and name HN )) 2.700 0.900 0.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.19205E-02 ppm1 7.192 ppm2 8.221 CV 1 OR { 1537} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 39 and name HN )) ASSI { 1538} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 69 and name HN )) 4.600 2.600 1.400 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.19123E-03 ppm1 7.191 ppm2 8.106 CV 1 OR { 1538} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 38 and name HN )) ASSI { 1539} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 69 and name HN )) 4.300 2.300 1.700 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.52840E-03 ppm1 6.986 ppm2 8.169 CV 1 OR { 1539} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 72 and name HN )) ASSI { 1544} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 15 and name HG2%) 4.300 2.300 1.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.27206E-03 ppm1 6.846 ppm2 1.171 CV 1 OR { 1544} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H3B )) OR { 1544} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H3A )) ASSI { 1545} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 26 and name HG2%) 4.600 2.600 1.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.26958E-03 ppm1 6.840 ppm2 0.972 CV 1 OR { 1545} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H5A )) OR { 1545} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H5B )) OR { 1545} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 15 and name HG1%) OR { 1545} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 21 and name HG2%) OR { 1545} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 46 and name HG2%) ASSI { 1546} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 11 and name HD1%) 3.500 1.600 1.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 6.840 ppm2 0.863 CV 1 OR { 1546} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 11 and name HD2%) OR { 1546} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H4B )) OR { 1546} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 8 and name HG1%) OR { 1546} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H4A )) ASSI { 1547} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 69 and name HG2%) 3.600 1.600 1.600 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.69723E-03 ppm1 6.851 ppm2 0.641 CV 1 OR { 1547} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 36 and name HD1%) OR { 1547} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 40 and name H6% ) OR { 1547} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 46 and name HG1%) ASSI { 1549} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 72 and name HB% ) 3.800 1.800 1.800 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.14244E-02 ppm1 6.851 ppm2 1.591 CV 1 OR { 1549} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 21 and name HB )) OR { 1549} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 36 and name HB2 )) OR { 1549} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 19 and name HB% ) ASSI { 1550} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 69 and name HB )) 5.300 3.500 0.700 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.17142E-03 ppm1 6.859 ppm2 2.269 CV 1 OR { 1550} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H2A )) OR { 1550} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 46 and name HB )) OR { 1550} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 43 and name HG2 )) OR { 1550} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H2B )) OR { 1550} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 43 and name HG1 )) OR { 1550} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 36 and name HB1 )) ASSI { 1552} (( segid " " and resid 33 and name HA )) (( segid " " and resid 32 and name HN )) 5.600 3.900 0.400 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.21833E-03 ppm1 4.493 ppm2 8.214 CV 1 OR { 1552} (( segid " " and resid 33 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 1564} (( segid " " and resid 33 and name HB )) (( segid " " and resid 32 and name HB1 )) 5.200 3.400 0.800 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.34622E-03 ppm1 4.171 ppm2 3.156 CV 1 OR { 1564} (( segid " " and resid 33 and name HB )) (( segid " " and resid 40 and name H42B)) OR { 1564} (( segid " " and resid 33 and name HB )) (( segid " " and resid 32 and name HB2 )) OR { 1564} (( segid " " and resid 33 and name HB )) (( segid " " and resid 40 and name H42A)) ASSI { 1565} (( segid " " and resid 33 and name HB )) (( segid " " and resid 40 and name H43A)) 5.400 3.600 0.600 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.22507E-03 ppm1 4.167 ppm2 2.796 CV 1 OR { 1565} (( segid " " and resid 33 and name HB )) (( segid " " and resid 34 and name HB1 )) OR { 1565} (( segid " " and resid 33 and name HB )) (( segid " " and resid 40 and name H43B)) ASSI { 1568} (( segid " " and resid 33 and name HB )) (( segid " " and resid 38 and name HN )) 4.700 2.700 1.300 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.47985E-03 ppm1 4.162 ppm2 8.116 CV 1 OR { 1568} (( segid " " and resid 33 and name HB )) (( segid " " and resid 40 and name H41A)) ASSI { 1571} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HB2 )) 4.900 3.100 1.100 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.18125E-03 ppm1 4.485 ppm2 2.481 CV 1 OR { 1571} (( segid " " and resid 33 and name HA )) (( segid " " and resid 37 and name HB2 )) ASSI { 1578} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H42B)) 3.100 1.200 1.200 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.22945E-02 ppm1 1.277 ppm2 3.167 CV 1 OR { 1578} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HB2 )) OR { 1578} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HB1 )) OR { 1578} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H42A)) ASSI { 1581} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 43 and name HG1 )) 4.600 2.600 1.400 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.55736E-03 ppm1 1.278 ppm2 2.293 CV 1 OR { 1581} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H2A )) OR { 1581} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H2B )) OR { 1581} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 43 and name HG2 )) OR { 1581} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 36 and name HB1 )) ASSI { 1583} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HA )) 6.000 4.900 0.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.81220E-04 ppm1 1.278 ppm2 4.057 CV 1 OR { 1583} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 31 and name HB1 )) ASSI { 1584} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 38 and name HA )) 4.800 2.900 1.200 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.40178E-03 ppm1 1.279 ppm2 3.979 CV 1 OR { 1584} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 64 and name HA )) OR { 1584} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 43 and name HA )) OR { 1584} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H32A)) ASSI { 1589} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 37 and name HA )) 5.100 3.200 0.900 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.32121E-03 ppm1 1.280 ppm2 4.368 CV 1 OR { 1589} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 68 and name HB )) OR { 1589} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 36 and name HA )) OR { 1589} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 30 and name HA )) ASSI { 1590} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HN )) 5.600 3.900 0.400 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.22142E-03 ppm1 1.275 ppm2 8.223 CV 1 OR { 1590} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 1591} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 38 and name HN )) 4.200 2.200 1.800 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.77328E-03 ppm1 1.276 ppm2 8.072 CV 1 OR { 1591} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H41A)) OR { 1591} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 41 and name HN )) ASSI { 1624} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 36 and name HD1%) 4.900 3.000 1.100 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.40861E-03 ppm1 3.050 ppm2 0.601 CV 1 OR { 1624} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 69 and name HG2%) ASSI { 1625} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 36 and name HD1%) 5.100 3.200 0.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.40723E-03 ppm1 2.713 ppm2 0.600 CV 1 OR { 1625} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 69 and name HG2%) ASSI { 1629} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HG )) 2.700 0.900 0.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.24590E-02 ppm1 3.051 ppm2 1.471 CV 1 OR { 1629} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HD2 )) ASSI { 1632} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HD1 )) 4.200 2.200 1.800 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.12678E-02 ppm1 2.714 ppm2 1.573 CV 1 OR { 1632} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HB2 )) ASSI { 1633} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HG )) 3.200 1.300 1.300 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.30646E-02 ppm1 2.717 ppm2 1.471 CV 1 OR { 1633} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HD2 )) ASSI { 1640} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HG )) 4.400 2.400 1.600 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.65571E-03 ppm1 5.012 ppm2 1.462 CV 1 OR { 1640} (( segid " " and resid 35 and name HA )) (( segid " " and resid 30 and name HD2 )) ASSI { 1642} (( segid " " and resid 35 and name HA )) (( segid " " and resid 30 and name HD1 )) 5.200 3.400 0.800 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.28676E-03 ppm1 5.013 ppm2 1.573 CV 1 OR { 1642} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 1643} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HB1 )) 5.100 3.200 0.900 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.31382E-03 ppm1 3.062 ppm2 2.317 CV 1 OR { 1643} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 69 and name HB )) ASSI { 1649} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HA )) 2.900 1.000 1.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.15224E-02 ppm1 3.051 ppm2 4.394 CV 1 OR { 1649} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1654} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HA )) 3.200 1.300 1.300 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11796E-02 ppm1 2.717 ppm2 4.400 CV 1 OR { 1654} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 1658} (( segid " " and resid 35 and name HA )) (( segid " " and resid 31 and name HB1 )) 5.800 4.200 0.200 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.17913E-03 ppm1 5.026 ppm2 4.091 CV 1 OR { 1658} (( segid " " and resid 35 and name HA )) (( segid " " and resid 32 and name HA )) ASSI { 1665} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.600 0.900 0.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.55366E-02 ppm1 4.392 ppm2 1.616 CV 1 OR { 1665} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 1666} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.400 0.700 0.700 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.29305E-02 ppm1 4.393 ppm2 2.300 CV 1 OR { 1666} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HB1 )) ASSI { 1667} (( segid " " and resid 36 and name HA )) ( segid " " and resid 21 and name HG2%) 3.700 1.700 1.700 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.12849E-02 ppm1 4.391 ppm2 0.984 CV 1 OR { 1667} (( segid " " and resid 37 and name HA )) ( segid " " and resid 38 and name HG2%) OR { 1667} (( segid " " and resid 37 and name HA )) ( segid " " and resid 38 and name HG1%) OR { 1667} (( segid " " and resid 36 and name HA )) ( segid " " and resid 15 and name HG1%) OR { 1667} (( segid " " and resid 36 and name HA )) ( segid " " and resid 38 and name HG1%) ASSI { 1669} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD1%) 4.200 2.200 1.800 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 4.386 ppm2 0.599 CV 1 OR { 1669} (( segid " " and resid 37 and name HA )) ( segid " " and resid 36 and name HD1%) ASSI { 1684} (( segid " " and resid 30 and name HA )) (( segid " " and resid 35 and name HN )) 5.500 3.800 0.500 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.20740E-03 ppm1 4.384 ppm2 7.726 CV 1 OR { 1684} (( segid " " and resid 36 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 1688} (( segid " " and resid 36 and name HA )) ( segid " " and resid 32 and name HD% ) 4.900 3.000 1.100 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.67708E-03 ppm1 4.392 ppm2 7.165 CV 1 OR { 1688} (( segid " " and resid 37 and name HA )) ( segid " " and resid 32 and name HD% ) ASSI { 1692} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HB1 )) 4.400 2.400 1.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.68119E-03 ppm1 2.300 ppm2 3.044 CV 1 OR { 1692} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1696} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 26 and name HG2%) 4.400 2.400 1.600 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.78310E-03 ppm1 2.310 ppm2 0.935 CV 1 OR { 1696} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 38 and name HG2%) OR { 1696} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 38 and name HG1%) ASSI { 1699} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 36 and name HD2%) 3.100 1.200 1.200 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.28075E-02 ppm1 1.619 ppm2 0.764 CV 1 OR { 1699} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 26 and name HG1%) ASSI { 1701} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 41 and name HD2%) 3.100 1.200 1.200 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.22457E-02 ppm1 1.631 ppm2 0.929 CV 1 OR { 1701} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 41 and name HD1%) OR { 1701} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 26 and name HG2%) OR { 1701} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 38 and name HG1%) ASSI { 1705} (( segid " " and resid 36 and name HG )) (( segid " " and resid 35 and name HB2 )) 4.400 2.400 1.600 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.49935E-03 ppm1 1.478 ppm2 2.715 CV 1 OR { 1705} (( segid " " and resid 36 and name HG )) (( segid " " and resid 25 and name HB1 )) ASSI { 1706} (( segid " " and resid 36 and name HG )) (( segid " " and resid 36 and name HB1 )) 2.700 0.900 0.900 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 1.473 ppm2 2.298 CV 1 OR { 1706} (( segid " " and resid 36 and name HG )) (( segid " " and resid 26 and name HB )) ASSI { 1711} (( segid " " and resid 36 and name HG )) ( segid " " and resid 36 and name HD1%) 2.000 0.500 0.500 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.68147E-02 ppm1 1.476 ppm2 0.598 CV 1 OR { 1711} (( segid " " and resid 36 and name HG )) ( segid " " and resid 69 and name HG2%) ASSI { 1714} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HB1 )) 2.300 0.700 0.700 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.47190E-02 ppm1 0.601 ppm2 2.295 CV 1 OR { 1714} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 26 and name HB )) OR { 1714} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 69 and name HB )) ASSI { 1717} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HB2 )) 2.400 0.700 0.700 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.47386E-02 ppm1 0.601 ppm2 1.617 CV 1 OR { 1717} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 21 and name HB )) ASSI { 1718} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HG )) 2.000 0.500 0.500 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.70120E-02 ppm1 0.601 ppm2 1.469 CV 1 OR { 1718} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 43 and name HE% ) ASSI { 1719} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 21 and name HG12)) 2.800 1.000 1.000 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.21649E-02 ppm1 0.600 ppm2 1.350 CV 1 OR { 1719} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HB2 )) OR { 1719} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 21 and name HG11)) ASSI { 1720} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 15 and name HG2%) 3.100 1.200 1.200 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 0.603 ppm2 1.181 CV 1 OR { 1720} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 40 and name H3A )) ASSI { 1721} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 21 and name HD1%) 4.600 2.600 1.400 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.72436E-03 ppm1 0.572 ppm2 0.858 CV 1 OR { 1721} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 8 and name HG1%) ASSI { 1724} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 21 and name HG2%) 2.200 0.600 0.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.39546E-02 ppm1 0.602 ppm2 1.007 CV 1 OR { 1724} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 15 and name HG1%) ASSI { 1725} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 26 and name HG2%) 2.300 0.600 0.600 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.47386E-02 ppm1 0.601 ppm2 0.943 CV 1 OR { 1725} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 38 and name HG1%) OR { 1725} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 8 and name HG1%) ASSI { 1726} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 26 and name HG2%) 2.700 0.900 0.900 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.20621E-02 ppm1 0.601 ppm2 0.883 CV 1 OR { 1726} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 21 and name HD1%) ASSI { 1727} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 36 and name HD2%) 2.100 0.600 0.600 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.91735E-02 ppm1 0.602 ppm2 0.782 CV 1 OR { 1727} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 26 and name HG1%) ASSI { 1732} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 35 and name HB1 )) 4.700 2.800 1.300 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.54037E-03 ppm1 0.601 ppm2 3.044 CV 1 OR { 1732} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 37 and name HB1 )) ASSI { 1735} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HA )) 4.100 2.100 1.900 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.15460E-02 ppm1 0.601 ppm2 4.391 CV 1 OR { 1735} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HA )) OR { 1735} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 37 and name HA )) ASSI { 1741} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 38 and name HN )) 5.200 3.400 0.800 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.38175E-03 ppm1 0.604 ppm2 8.117 CV 1 OR { 1741} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 69 and name HN )) ASSI { 1743} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 32 and name HN )) 4.400 2.400 1.600 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.33707E-03 ppm1 0.601 ppm2 8.216 CV 1 OR { 1743} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 39 and name HN )) ASSI { 1757} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HG )) 2.000 0.500 0.500 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.76364E-02 ppm1 0.773 ppm2 1.467 CV 1 OR { 1757} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HD2 )) ASSI { 1758} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HB2 )) 2.800 1.000 1.000 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.36307E-02 ppm1 0.773 ppm2 1.351 CV 1 OR { 1758} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HG2 )) OR { 1758} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 21 and name HG11)) ASSI { 1760} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 21 and name HG2%) 2.600 0.800 0.800 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.36901E-02 ppm1 0.774 ppm2 0.963 CV 1 OR { 1760} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 26 and name HG2%) ASSI { 1761} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 36 and name HD1%) 2.100 0.500 0.500 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.11380E-01 ppm1 0.771 ppm2 0.593 CV 1 OR { 1761} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 69 and name HG2%) ASSI { 1764} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 25 and name HA )) 4.500 2.600 1.500 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.29569E-03 ppm1 0.774 ppm2 4.591 CV 1 OR { 1764} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 27 and name HA )) ASSI { 1765} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 25 and name HN )) 3.100 1.200 1.200 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.53895E-03 ppm1 0.775 ppm2 7.718 CV 1 OR { 1765} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 35 and name HN )) ASSI { 1775} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB1 )) 2.800 1.000 1.000 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.53530E-02 ppm1 4.396 ppm2 3.089 CV 1 OR { 1775} (( segid " " and resid 36 and name HA )) (( segid " " and resid 35 and name HB1 )) ASSI { 1776} (( segid " " and resid 37 and name HA )) ( segid " " and resid 38 and name HG2%) 4.300 2.300 1.700 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 4.401 ppm2 0.935 CV 1 OR { 1776} (( segid " " and resid 36 and name HA )) ( segid " " and resid 26 and name HG2%) OR { 1776} (( segid " " and resid 37 and name HA )) ( segid " " and resid 38 and name HG1%) OR { 1776} (( segid " " and resid 36 and name HA )) ( segid " " and resid 38 and name HG1%) ASSI { 1786} (( segid " " and resid 38 and name HB )) (( segid " " and resid 37 and name HA )) 3.300 3.300 2.700 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.35479E-03 ppm1 1.900 ppm2 4.404 CV 1 OR { 1786} (( segid " " and resid 38 and name HB )) (( segid " " and resid 36 and name HA )) ASSI { 1791} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HB1 )) 5.900 4.400 0.100 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.74437E-04 ppm1 3.962 ppm2 3.109 CV 1 OR { 1791} (( segid " " and resid 38 and name HA )) (( segid " " and resid 37 and name HB1 )) ASSI { 1792} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HB2 )) 4.500 2.600 1.500 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.47007E-03 ppm1 3.963 ppm2 2.756 CV 1 OR { 1792} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 39 and name HB2 )) ASSI { 1794} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG1%) 2.100 0.600 0.600 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.15250E-01 ppm1 3.960 ppm2 0.934 CV 1 OR { 1794} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 18 and name HG2%) OR { 1794} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 1795} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 18 and name HD1%) 3.700 1.800 1.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.54073E-03 ppm1 3.972 ppm2 0.815 CV 1 OR { 1795} (( segid " " and resid 38 and name HA )) ( segid " " and resid 21 and name HD1%) ASSI { 1796} (( segid " " and resid 38 and name HA )) ( segid " " and resid 19 and name HB% ) 2.900 1.100 1.100 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.12133E-02 ppm1 3.964 ppm2 1.542 CV 1 OR { 1796} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 19 and name HB% ) ASSI { 1801} (( segid " " and resid 38 and name HB )) (( segid " " and resid 36 and name HB1 )) 4.500 2.500 1.500 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.60838E-03 ppm1 1.892 ppm2 2.315 CV 1 OR { 1801} (( segid " " and resid 38 and name HB )) (( segid " " and resid 43 and name HG1 )) OR { 1801} (( segid " " and resid 38 and name HB )) (( segid " " and resid 43 and name HG2 )) ASSI { 1802} (( segid " " and resid 38 and name HB )) (( segid " " and resid 21 and name HG12)) 4.000 2.000 2.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.40789E-03 ppm1 1.895 ppm2 1.281 CV 1 OR { 1802} (( segid " " and resid 38 and name HB )) (( segid " " and resid 21 and name HG11)) OR { 1802} (( segid " " and resid 38 and name HB )) ( segid " " and resid 33 and name HG2%) ASSI { 1803} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 38 and name HA )) 2.100 0.500 0.500 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.14759E-01 ppm1 0.935 ppm2 3.961 CV 1 OR { 1803} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) OR { 1803} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 42 and name HB1 )) ASSI { 1810} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name H43A)) 4.600 2.700 1.400 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.38807E-03 ppm1 0.929 ppm2 2.796 CV 1 OR { 1810} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 39 and name HB2 )) OR { 1810} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 40 and name H43A)) OR { 1810} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HB2 )) OR { 1810} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 40 and name H43B)) ASSI { 1812} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 43 and name HB1 )) 4.200 2.200 1.800 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 0.929 ppm2 2.017 CV 1 OR { 1812} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 43 and name HB1 )) OR { 1812} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 67 and name HB2 )) OR { 1812} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 67 and name HB1 )) ASSI { 1817} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 65 and name HA )) 3.000 3.000 3.000 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.67964E-03 ppm1 3.099 ppm2 4.880 CV 1 OR { 1817} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 65 and name HA )) OR { 1817} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 31 and name HA )) ASSI { 1820} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HA )) 3.800 1.800 1.800 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.86523E-03 ppm1 3.101 ppm2 4.137 CV 1 OR { 1820} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 40 and name HB1 )) OR { 1820} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 40 and name HA )) OR { 1820} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 40 and name HB2 )) ASSI { 1823} (( segid " " and resid 27 and name HA )) ( segid " " and resid 8 and name HG1%) 3.300 1.300 1.300 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.17574E-02 ppm1 4.655 ppm2 0.912 CV 1 OR { 1823} (( segid " " and resid 39 and name HA )) ( segid " " and resid 38 and name HG2%) OR { 1823} (( segid " " and resid 39 and name HA )) ( segid " " and resid 38 and name HG1%) OR { 1823} (( segid " " and resid 39 and name HA )) ( segid " " and resid 41 and name HD1%) ASSI { 1825} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB1 )) 2.500 0.800 0.800 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.62131E-02 ppm1 4.660 ppm2 3.098 CV 1 OR { 1825} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HE2 )) ASSI { 1826} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HB1 )) 3.600 1.600 1.600 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 4.660 ppm2 4.149 CV 1 OR { 1826} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HA )) OR { 1826} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HB2 )) OR { 1826} (( segid " " and resid 39 and name HA )) (( segid " " and resid 33 and name HB )) ASSI { 1829} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HN )) 2.400 0.700 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.42870E-02 ppm1 3.109 ppm2 8.212 CV 1 OR { 1829} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HN )) OR { 1829} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 67 and name HN )) OR { 1829} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HN )) ASSI { 1832} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HN )) 3.300 1.300 1.300 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 4.147 ppm2 8.374 CV 1 OR { 1832} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name HN )) ASSI { 1833} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 3.200 1.300 1.300 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.12555E-02 ppm1 4.147 ppm2 8.108 CV 1 OR { 1833} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H41A)) ASSI { 1835} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 42 and name HN )) 4.600 2.700 1.400 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.56179E-03 ppm1 4.143 ppm2 8.383 CV 1 OR { 1835} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 42 and name HN )) OR { 1835} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HN )) OR { 1835} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 43 and name HN )) ASSI { 1836} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 41 and name HN )) 3.400 1.400 1.400 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.14564E-02 ppm1 4.146 ppm2 8.107 CV 1 OR { 1836} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HN )) OR { 1836} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H41A)) OR { 1836} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H41A)) ASSI { 1840} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HG1 )) 3.800 1.800 1.800 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.15614E-02 ppm1 4.146 ppm2 2.293 CV 1 OR { 1840} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HG2 )) OR { 1840} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H2A )) OR { 1840} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H2B )) ASSI { 1843} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H43A)) 4.500 2.500 1.500 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.16481E-03 ppm1 4.141 ppm2 2.778 CV 1 OR { 1843} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H43B)) OR { 1843} (( segid " " and resid 40 and name HA )) (( segid " " and resid 39 and name HB2 )) ASSI { 1853} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H43A)) 5.500 3.800 0.500 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.12935E-03 ppm1 4.147 ppm2 2.770 CV 1 OR { 1853} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H43A)) OR { 1853} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H43B)) OR { 1853} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H43B)) OR { 1853} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 39 and name HB2 )) ASSI { 1854} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HG1 )) 4.700 2.800 1.300 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.66434E-03 ppm1 4.148 ppm2 2.285 CV 1 OR { 1854} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 43 and name HG1 )) OR { 1854} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H2A )) OR { 1854} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HG2 )) OR { 1854} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H2A )) OR { 1854} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 43 and name HG2 )) OR { 1854} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H2B )) OR { 1854} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H2B )) ASSI { 1859} (( segid " " and resid 40 and name HA )) ( segid " " and resid 38 and name HG2%) 3.400 1.500 1.500 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.18528E-02 ppm1 4.146 ppm2 0.907 CV 1 OR { 1859} (( segid " " and resid 40 and name HA )) ( segid " " and resid 38 and name HG1%) OR { 1859} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name H31%) ASSI { 1860} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.700 1.700 1.700 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.19985E-02 ppm1 4.148 ppm2 0.902 CV 1 OR { 1860} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 38 and name HG2%) OR { 1860} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H30%) OR { 1860} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H31%) OR { 1860} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name H30%) OR { 1860} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 38 and name HG1%) OR { 1860} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name H31%) OR { 1860} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 38 and name HG1%) ASSI { 1865} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HA )) 3.300 1.400 1.400 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.15361E-02 ppm1 4.143 ppm2 4.263 CV 1 OR { 1865} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name HA )) ASSI { 1876} (( segid " " and resid 41 and name HA )) (( segid " " and resid 44 and name HB )) 3.500 1.600 1.600 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.13735E-02 ppm1 4.292 ppm2 2.215 CV 1 OR { 1876} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HB )) OR { 1876} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HB2 )) ASSI { 1880} (( segid " " and resid 11 and name HA )) ( segid " " and resid 11 and name HD2%) 2.200 0.600 0.600 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.77680E-02 ppm1 4.294 ppm2 0.906 CV 1 OR { 1880} (( segid " " and resid 41 and name HA )) ( segid " " and resid 41 and name HD1%) OR { 1880} (( segid " " and resid 41 and name HA )) ( segid " " and resid 40 and name H31%) ASSI { 1881} (( segid " " and resid 41 and name HA )) ( segid " " and resid 44 and name HG2%) 2.700 0.900 0.900 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.30011E-02 ppm1 4.293 ppm2 1.117 CV 1 OR { 1881} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HG2%) ASSI { 1886} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 58 and name HG2%) 2.300 0.700 0.700 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.74071E-02 ppm1 0.900 ppm2 0.332 CV 1 OR { 1886} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 58 and name HG2%) ASSI { 1891} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 63 and name HB )) 2.200 0.600 0.600 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.56951E-02 ppm1 0.900 ppm2 2.023 CV 1 OR { 1891} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HG )) OR { 1891} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 63 and name HB )) OR { 1891} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 43 and name HB1 )) OR { 1891} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 43 and name HB1 )) OR { 1891} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 14 and name HG11)) ASSI { 1894} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 43 and name HA )) 3.700 1.700 1.700 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.75149E-03 ppm1 0.904 ppm2 4.000 CV 1 OR { 1894} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HA )) OR { 1894} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 48 and name HA )) OR { 1894} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 50 and name HA )) OR { 1894} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 64 and name HA )) ASSI { 1901} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HB )) 2.000 0.500 0.500 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.11267E-01 ppm1 0.906 ppm2 2.234 CV 1 OR { 1901} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H2A )) OR { 1901} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H2B )) ASSI { 1902} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HG )) 2.600 0.800 0.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.40122E-02 ppm1 0.905 ppm2 1.715 CV 1 OR { 1902} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 58 and name HB )) ASSI { 1903} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.46034E-02 ppm1 0.904 ppm2 1.659 CV 1 OR { 1903} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 58 and name HB )) OR { 1903} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 58 and name HB )) ASSI { 1904} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HB2 )) 2.800 1.000 1.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.25050E-02 ppm1 0.905 ppm2 1.617 CV 1 OR { 1904} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 72 and name HB% ) ASSI { 1906} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HN )) 3.600 1.700 1.700 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.11336E-02 ppm1 0.905 ppm2 8.117 CV 1 OR { 1906} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 46 and name HN )) ASSI { 1907} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HN )) 3.500 1.500 1.500 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.16158E-02 ppm1 0.906 ppm2 8.075 CV 1 OR { 1907} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 46 and name HN )) OR { 1907} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H41A)) ASSI { 1909} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 48 and name HN )) 4.100 2.100 1.900 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.13749E-02 ppm1 0.906 ppm2 7.908 CV 1 OR { 1909} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 49 and name HN )) ASSI { 1913} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HN )) 4.300 2.300 1.700 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.45526E-03 ppm1 4.290 ppm2 8.074 CV 1 OR { 1913} (( segid " " and resid 42 and name HA )) (( segid " " and resid 41 and name HN )) ASSI { 1914} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.600 0.800 0.800 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.28069E-02 ppm1 4.292 ppm2 8.388 CV 1 OR { 1914} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) ASSI { 1915} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.34497E-02 ppm1 3.980 ppm2 8.388 CV 1 OR { 1915} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HN )) OR { 1915} (( segid " " and resid 38 and name HA )) (( segid " " and resid 42 and name HN )) ASSI { 1925} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HG2 )) 3.500 1.600 1.600 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.29776E-02 ppm1 4.291 ppm2 2.289 CV 1 OR { 1925} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB1 )) OR { 1925} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HB )) ASSI { 1926} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB2 )) 3.500 1.500 1.500 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.69138E-03 ppm1 4.291 ppm2 2.169 CV 1 OR { 1926} (( segid " " and resid 42 and name HA )) (( segid " " and resid 44 and name HB )) ASSI { 1927} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 46 and name HB )) 4.600 2.600 1.400 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.41903E-03 ppm1 3.668 ppm2 2.292 CV 1 OR { 1927} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HG2 )) OR { 1927} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HG1 )) OR { 1927} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HB1 )) OR { 1927} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HG2 )) ASSI { 1929} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 46 and name HB )) 5.100 3.300 0.900 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.32747E-03 ppm1 3.985 ppm2 2.282 CV 1 OR { 1929} (( segid " " and resid 38 and name HA )) (( segid " " and resid 36 and name HB1 )) OR { 1929} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HB1 )) OR { 1929} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HG2 )) OR { 1929} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HG2 )) OR { 1929} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HG1 )) OR { 1929} (( segid " " and resid 38 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 1929} (( segid " " and resid 38 and name HA )) (( segid " " and resid 43 and name HG2 )) ASSI { 1932} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 18 and name HB )) 3.300 1.400 1.400 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.37831E-03 ppm1 3.986 ppm2 1.645 CV 1 OR { 1932} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 18 and name HG11)) OR { 1932} (( segid " " and resid 38 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 1933} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 46 and name HG2%) 2.700 0.900 0.900 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.51621E-02 ppm1 3.669 ppm2 0.946 CV 1 OR { 1933} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 18 and name HG2%) OR { 1933} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 38 and name HG2%) ASSI { 1935} (( segid " " and resid 42 and name HA )) ( segid " " and resid 18 and name HG2%) 2.400 0.700 0.700 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.35795E-02 ppm1 4.291 ppm2 0.956 CV 1 OR { 1935} (( segid " " and resid 42 and name HA )) ( segid " " and resid 46 and name HG2%) ASSI { 1944} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HN )) 2.400 0.700 0.700 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.21052E-02 ppm1 1.946 ppm2 8.362 CV 1 OR { 1944} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 42 and name HN )) ASSI { 1948} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.17181E-02 ppm1 1.946 ppm2 3.972 CV 1 OR { 1948} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 42 and name HB1 )) ASSI { 1950} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 2.800 1.000 1.000 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.21285E-02 ppm1 2.025 ppm2 3.977 CV 1 OR { 1950} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 42 and name HB1 )) ASSI { 1951} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HA )) 5.000 3.200 1.000 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.16855E-03 ppm1 3.974 ppm2 3.575 CV 1 OR { 1951} (( segid " " and resid 43 and name HA )) (( segid " " and resid 15 and name HA )) ASSI { 1956} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB )) 1.900 0.400 0.400 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.10041E-01 ppm1 3.975 ppm2 2.294 CV 1 OR { 1956} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG2 )) OR { 1956} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG1 )) ASSI { 1957} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG2 )) 2.400 0.700 0.700 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.48085E-02 ppm1 1.946 ppm2 2.291 CV 1 OR { 1957} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG1 )) OR { 1957} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 40 and name H2A )) OR { 1957} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 46 and name HB )) ASSI { 1960} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HE% ) 3.000 1.100 1.100 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.24400E-02 ppm1 3.971 ppm2 1.459 CV 1 OR { 1960} (( segid " " and resid 43 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 1961} (( segid " " and resid 43 and name HA )) ( segid " " and resid 46 and name HG1%) 3.900 1.900 1.900 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.14301E-02 ppm1 3.975 ppm2 0.669 CV 1 OR { 1961} (( segid " " and resid 43 and name HA )) ( segid " " and resid 40 and name H6% ) ASSI { 1963} (( segid " " and resid 43 and name HA )) ( segid " " and resid 46 and name HG2%) 2.600 0.900 0.900 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.53228E-02 ppm1 3.975 ppm2 0.941 CV 1 OR { 1963} (( segid " " and resid 43 and name HA )) ( segid " " and resid 47 and name HG2%) OR { 1963} (( segid " " and resid 43 and name HA )) (( segid " " and resid 40 and name H5B )) OR { 1963} (( segid " " and resid 43 and name HA )) ( segid " " and resid 63 and name HG2%) OR { 1963} (( segid " " and resid 43 and name HA )) (( segid " " and resid 40 and name H5A )) OR { 1963} (( segid " " and resid 43 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 1964} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 63 and name HG2%) 3.800 1.800 1.800 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.13541E-02 ppm1 1.941 ppm2 0.923 CV 1 OR { 1964} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 47 and name HG2%) OR { 1964} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 40 and name H5B )) OR { 1964} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 38 and name HG1%) OR { 1964} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 44 and name HG1%) OR { 1964} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 40 and name H5A )) OR { 1964} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 38 and name HG2%) OR { 1964} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 18 and name HG2%) ASSI { 1965} (( segid " " and resid 46 and name HB )) (( segid " " and resid 43 and name HA )) 2.100 0.600 0.600 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.51406E-02 ppm1 2.298 ppm2 3.976 CV 1 OR { 1965} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HA1 )) ASSI { 1967} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HN )) 2.200 0.600 0.600 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.59358E-02 ppm1 2.297 ppm2 8.088 CV 1 OR { 1967} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HD22)) ASSI { 1969} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name HA )) 3.900 1.900 1.900 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.10520E-02 ppm1 2.292 ppm2 4.150 CV 1 OR { 1969} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 60 and name HA )) OR { 1969} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 60 and name HA )) OR { 1969} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name HA )) OR { 1969} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 72 and name HA )) ASSI { 1970} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name H42A)) 4.500 2.500 1.500 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.60322E-03 ppm1 2.298 ppm2 3.177 CV 1 OR { 1970} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name H42B)) OR { 1970} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name H42A)) OR { 1970} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 63 and name HA )) OR { 1970} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 63 and name HA )) OR { 1970} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name H42B)) OR { 1970} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 32 and name HB1 )) OR { 1970} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 32 and name HB2 )) ASSI { 1973} (( segid " " and resid 43 and name HG2 )) ( segid " " and resid 63 and name HG2%) 2.500 0.800 0.800 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.54402E-02 ppm1 2.291 ppm2 0.916 CV 1 OR { 1973} (( segid " " and resid 15 and name HB )) ( segid " " and resid 26 and name HG2%) OR { 1973} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 63 and name HG2%) OR { 1973} (( segid " " and resid 43 and name HG2 )) ( segid " " and resid 47 and name HG2%) OR { 1973} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 47 and name HG2%) OR { 1973} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 66 and name HB2 )) OR { 1973} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 38 and name HG2%) OR { 1973} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 66 and name HB2 )) OR { 1973} (( segid " " and resid 43 and name HG2 )) ( segid " " and resid 38 and name HG1%) OR { 1973} (( segid " " and resid 43 and name HG2 )) ( segid " " and resid 38 and name HG2%) OR { 1973} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 11 and name HD2%) OR { 1973} (( segid " " and resid 15 and name HB )) ( segid " " and resid 38 and name HG2%) ASSI { 1976} (( segid " " and resid 44 and name HB )) (( segid " " and resid 45 and name HN )) 2.600 0.900 0.900 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.36162E-02 ppm1 2.218 ppm2 6.990 CV 1 OR { 1976} (( segid " " and resid 15 and name HB )) ( segid " " and resid 32 and name HE% ) ASSI { 1989} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 46 and name HN )) 3.800 1.800 1.800 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.13599E-02 ppm1 1.118 ppm2 8.080 CV 1 OR { 1989} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H41A)) OR { 1989} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 46 and name HN )) ASSI { 1990} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H36A)) 3.900 1.900 1.900 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 1.118 ppm2 8.018 CV 1 OR { 1990} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 47 and name HN )) OR { 1990} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 47 and name HN )) ASSI { 1995} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.43327E-02 ppm1 1.116 ppm2 4.060 CV 1 OR { 1995} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 45 and name HA )) ASSI { 1997} (( segid " " and resid 23 and name HA )) (( segid " " and resid 16 and name HD22)) 3.300 1.400 1.400 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.67320E-03 ppm1 3.578 ppm2 8.083 CV 1 OR { 1997} (( segid " " and resid 44 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 1998} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.200 1.300 1.300 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.16206E-02 ppm1 3.581 ppm2 7.996 CV 1 OR { 1998} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H36A)) ASSI { 1999} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HN )) 3.700 1.700 1.700 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.72861E-03 ppm1 3.579 ppm2 7.892 CV 1 OR { 1999} (( segid " " and resid 44 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 2003} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HA )) 4.000 2.000 2.000 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.60085E-03 ppm1 3.585 ppm2 3.958 CV 1 OR { 2003} (( segid " " and resid 23 and name HA )) (( segid " " and resid 13 and name HA )) OR { 2003} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H32A)) OR { 2003} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HA )) ASSI { 2006} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 43 and name HB2 )) 4.000 2.000 2.000 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.81270E-03 ppm1 1.119 ppm2 1.925 CV 1 OR { 2006} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 41 and name HB1 )) ASSI { 2009} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 32 and name HE% ) 3.000 1.100 1.100 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.16279E-02 ppm1 0.973 ppm2 6.991 CV 1 OR { 2009} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HN )) ASSI { 2010} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HB )) 2.200 0.600 0.600 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.11210E-01 ppm1 0.973 ppm2 2.210 CV 1 OR { 2010} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 15 and name HB )) ASSI { 2012} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 3.400 1.500 1.500 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.28519E-02 ppm1 2.293 ppm2 6.990 CV 1 OR { 2012} (( segid " " and resid 26 and name HB )) ( segid " " and resid 32 and name HE% ) ASSI { 2014} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 2.600 0.800 0.800 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.39991E-02 ppm1 2.296 ppm2 4.058 CV 1 OR { 2014} (( segid " " and resid 26 and name HB )) (( segid " " and resid 12 and name HA )) OR { 2014} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 10 and name HA1 )) ASSI { 2018} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.400 0.700 0.700 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.79653E-02 ppm1 4.063 ppm2 2.282 CV 1 OR { 2018} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG2 )) OR { 2018} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG2 )) OR { 2018} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG1 )) ASSI { 2021} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HG1 )) 2.400 0.700 0.700 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.76309E-02 ppm1 2.287 ppm2 2.443 CV 1 OR { 2021} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HG1 )) ASSI { 2022} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HG1%) 3.400 1.400 1.400 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.23999E-02 ppm1 4.061 ppm2 0.987 CV 1 OR { 2022} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG1%) OR { 2022} (( segid " " and resid 45 and name HA )) ( segid " " and resid 46 and name HG2%) OR { 2022} (( segid " " and resid 45 and name HA )) ( segid " " and resid 18 and name HG2%) ASSI { 2023} (( segid " " and resid 45 and name HA )) ( segid " " and resid 47 and name HG1%) 5.100 3.200 0.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.29994E-03 ppm1 4.066 ppm2 0.876 CV 1 OR { 2023} (( segid " " and resid 45 and name HA )) ( segid " " and resid 47 and name HG2%) ASSI { 2025} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 18 and name HG2%) 3.400 1.400 1.400 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.24391E-02 ppm1 2.157 ppm2 0.959 CV 1 OR { 2025} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 46 and name HG2%) OR { 2025} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 46 and name HG2%) OR { 2025} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 44 and name HG1%) OR { 2025} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HG2%) ASSI { 2027} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 18 and name HG12)) 4.800 2.800 1.200 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.40684E-03 ppm1 2.304 ppm2 1.318 CV 1 OR { 2027} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HG12)) OR { 2027} (( segid " " and resid 26 and name HB )) (( segid " " and resid 11 and name HB2 )) OR { 2027} (( segid " " and resid 26 and name HB )) (( segid " " and resid 21 and name HG12)) OR { 2027} (( segid " " and resid 26 and name HB )) (( segid " " and resid 21 and name HG11)) OR { 2027} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 11 and name HB2 )) ASSI { 2029} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 48 and name HG2%) 5.300 3.500 0.700 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.34748E-03 ppm1 2.290 ppm2 1.122 CV 1 OR { 2029} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 44 and name HG2%) OR { 2029} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 53 and name HB2 )) OR { 2029} (( segid " " and resid 26 and name HB )) ( segid " " and resid 73 and name HG2%) ASSI { 2030} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG2%) 3.200 1.300 1.300 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.35132E-02 ppm1 4.061 ppm2 1.113 CV 1 OR { 2030} (( segid " " and resid 45 and name HA )) ( segid " " and resid 14 and name HG2%) OR { 2030} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HG2%) ASSI { 2031} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HA )) 4.300 2.300 1.700 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.10991E-02 ppm1 2.296 ppm2 4.290 CV 1 OR { 2031} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 49 and name HA )) OR { 2031} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 11 and name HA )) OR { 2031} (( segid " " and resid 26 and name HB )) (( segid " " and resid 21 and name HA )) OR { 2031} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 42 and name HA )) ASSI { 2032} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HA )) 3.400 1.400 1.400 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 2.158 ppm2 4.289 CV 1 OR { 2032} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) ASSI { 2033} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.15864E-02 ppm1 2.291 ppm2 8.080 CV 1 OR { 2033} (( segid " " and resid 26 and name HB )) (( segid " " and resid 16 and name HD22)) ASSI { 2034} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.11128E-02 ppm1 2.159 ppm2 8.080 CV 1 OR { 2034} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 54 and name HN )) ASSI { 2036} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) 2.900 1.000 1.000 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.24884E-02 ppm1 4.061 ppm2 7.900 CV 1 OR { 2036} (( segid " " and resid 45 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 2043} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 46 and name HN )) 4.700 2.800 1.300 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.63058E-03 ppm1 2.450 ppm2 8.086 CV 1 OR { 2043} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 54 and name HN )) ASSI { 2044} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 46 and name HN )) 4.300 2.300 1.700 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.96362E-03 ppm1 2.279 ppm2 8.079 CV 1 OR { 2044} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 16 and name HD22)) OR { 2044} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 16 and name HD22)) ASSI { 2045} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HN )) 4.300 2.300 1.700 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.88076E-03 ppm1 2.439 ppm2 8.203 CV 1 OR { 2045} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 53 and name HN )) ASSI { 2046} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 42 and name HA )) 3.600 1.600 1.600 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 2.450 ppm2 4.283 CV 1 OR { 2046} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 49 and name HA )) ASSI { 2047} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 11 and name HA )) 3.900 1.900 1.900 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 2.278 ppm2 4.294 CV 1 OR { 2047} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 42 and name HA )) OR { 2047} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 22 and name HA )) OR { 2047} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 22 and name HA )) OR { 2047} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 21 and name HA )) ASSI { 2050} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HA )) 2.600 0.900 0.900 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.66105E-02 ppm1 2.285 ppm2 4.056 CV 1 OR { 2050} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HA )) OR { 2050} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 24 and name HA )) OR { 2050} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 10 and name HA1 )) ASSI { 2051} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HB2 )) 2.000 0.500 0.500 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.13773E-01 ppm1 2.445 ppm2 2.150 CV 1 OR { 2051} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HB2 )) OR { 2051} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HB1 )) ASSI { 2053} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 49 and name HB% ) 4.600 2.700 1.400 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.40156E-03 ppm1 2.444 ppm2 1.534 CV 1 OR { 2053} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 49 and name HB% ) OR { 2053} (( segid " " and resid 52 and name HG1 )) ( segid " " and resid 50 and name HB% ) OR { 2053} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 19 and name HB% ) OR { 2053} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 50 and name HB% ) ASSI { 2054} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 9 and name HB% ) 4.200 2.200 1.800 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.59591E-03 ppm1 2.283 ppm2 1.531 CV 1 OR { 2054} (( segid " " and resid 52 and name HG2 )) ( segid " " and resid 49 and name HB% ) OR { 2054} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 49 and name HB% ) OR { 2054} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 49 and name HB% ) OR { 2054} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 49 and name HB% ) OR { 2054} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 50 and name HB% ) OR { 2054} (( segid " " and resid 52 and name HG2 )) ( segid " " and resid 50 and name HB% ) OR { 2054} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 19 and name HB% ) OR { 2054} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 50 and name HB% ) ASSI { 2055} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 44 and name HG2%) 4.500 2.600 1.500 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.70403E-03 ppm1 2.450 ppm2 1.118 CV 1 OR { 2055} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 48 and name HG2%) OR { 2055} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 53 and name HB2 )) ASSI { 2056} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 14 and name HG2%) 4.800 2.800 1.200 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.56819E-03 ppm1 2.268 ppm2 1.112 CV 1 OR { 2056} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 44 and name HG2%) OR { 2056} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 48 and name HG2%) OR { 2056} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 14 and name HG2%) OR { 2056} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 14 and name HG2%) OR { 2056} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 53 and name HB2 )) ASSI { 2057} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 18 and name HG2%) 3.400 1.400 1.400 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.23398E-02 ppm1 2.450 ppm2 0.971 CV 1 OR { 2057} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 44 and name HG1%) OR { 2057} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 46 and name HG2%) OR { 2057} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 46 and name HG2%) OR { 2057} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 18 and name HG2%) ASSI { 2058} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 44 and name HG1%) 3.000 1.100 1.100 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.33741E-02 ppm1 2.277 ppm2 0.966 CV 1 OR { 2058} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 23 and name HG2%) OR { 2058} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 46 and name HG2%) OR { 2058} (( segid " " and resid 24 and name HG1 )) ( segid " " and resid 23 and name HG2%) OR { 2058} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 48 and name HG1%) OR { 2058} (( segid " " and resid 24 and name HG1 )) ( segid " " and resid 21 and name HG2%) OR { 2058} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 46 and name HG2%) OR { 2058} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 21 and name HG2%) OR { 2058} (( segid " " and resid 24 and name HG1 )) ( segid " " and resid 26 and name HG2%) OR { 2058} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 26 and name HG2%) OR { 2058} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 18 and name HG2%) OR { 2058} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 26 and name HG2%) OR { 2058} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 46 and name HG2%) OR { 2058} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 23 and name HG1%) ASSI { 2060} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 18 and name HD1%) 4.100 2.200 1.900 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.17043E-02 ppm1 2.280 ppm2 0.778 CV 1 OR { 2060} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 14 and name HD1%) OR { 2060} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 18 and name HD1%) ASSI { 2061} (( segid " " and resid 47 and name HB )) ( segid " " and resid 47 and name HG2%) 2.000 0.500 0.500 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.14770E-01 ppm1 2.224 ppm2 0.890 CV 1 OR { 2061} (( segid " " and resid 47 and name HB )) ( segid " " and resid 47 and name HG1%) OR { 2061} (( segid " " and resid 15 and name HB )) ( segid " " and resid 26 and name HG2%) OR { 2061} (( segid " " and resid 44 and name HB )) ( segid " " and resid 40 and name H31%) ASSI { 2066} (( segid " " and resid 46 and name HA )) (( segid " " and resid 43 and name HA )) 4.700 2.700 1.300 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.50853E-03 ppm1 3.427 ppm2 3.963 CV 1 OR { 2066} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HA1 )) OR { 2066} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HA )) OR { 2066} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name HB1 )) ASSI { 2068} (( segid " " and resid 46 and name HA )) (( segid " " and resid 14 and name HB )) 4.000 2.000 2.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.61222E-03 ppm1 3.420 ppm2 2.131 CV 1 OR { 2068} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HB2 )) OR { 2068} (( segid " " and resid 69 and name HA )) (( segid " " and resid 66 and name HB1 )) ASSI { 2069} (( segid " " and resid 46 and name HA )) (( segid " " and resid 14 and name HB )) 4.300 2.400 1.700 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.43663E-03 ppm1 3.425 ppm2 2.067 CV 1 OR { 2069} (( segid " " and resid 46 and name HA )) (( segid " " and resid 48 and name HB )) OR { 2069} (( segid " " and resid 69 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 2070} (( segid " " and resid 69 and name HA )) (( segid " " and resid 40 and name H3A )) 3.900 1.900 1.900 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.47902E-03 ppm1 3.427 ppm2 1.182 CV 1 OR { 2070} (( segid " " and resid 46 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 2072} (( segid " " and resid 46 and name HA )) ( segid " " and resid 14 and name HD1%) 2.800 1.000 1.000 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.55014E-02 ppm1 3.426 ppm2 0.778 CV 1 OR { 2072} (( segid " " and resid 46 and name HA )) ( segid " " and resid 18 and name HD1%) OR { 2072} (( segid " " and resid 69 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 2073} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HG2%) 2.200 0.600 0.600 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.78950E-02 ppm1 3.426 ppm2 0.976 CV 1 OR { 2073} (( segid " " and resid 69 and name HA )) (( segid " " and resid 40 and name H5A )) OR { 2073} (( segid " " and resid 69 and name HA )) (( segid " " and resid 40 and name H5B )) ASSI { 2074} (( segid " " and resid 69 and name HB )) ( segid " " and resid 69 and name HG2%) 1.900 0.500 0.500 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.12801E-01 ppm1 2.290 ppm2 0.659 CV 1 OR { 2074} (( segid " " and resid 46 and name HB )) ( segid " " and resid 46 and name HG1%) ASSI { 2075} (( segid " " and resid 46 and name HB )) ( segid " " and resid 46 and name HG2%) 2.000 0.500 0.500 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.86605E-02 ppm1 2.291 ppm2 0.984 CV 1 OR { 2075} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG1%) OR { 2075} (( segid " " and resid 15 and name HB )) ( segid " " and resid 21 and name HG2%) OR { 2075} (( segid " " and resid 46 and name HB )) (( segid " " and resid 40 and name H5B )) OR { 2075} (( segid " " and resid 15 and name HB )) ( segid " " and resid 46 and name HG2%) ASSI { 2077} (( segid " " and resid 69 and name HB )) (( segid " " and resid 69 and name HA )) 2.700 0.900 0.900 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.25969E-02 ppm1 2.295 ppm2 3.406 CV 1 OR { 2077} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HA )) OR { 2077} (( segid " " and resid 15 and name HB )) (( segid " " and resid 69 and name HA )) ASSI { 2080} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HN )) 3.200 1.300 1.300 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 3.424 ppm2 7.899 CV 1 OR { 2080} (( segid " " and resid 46 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 2082} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HN )) 3.900 1.900 1.900 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.64164E-03 ppm1 3.428 ppm2 8.809 CV 1 OR { 2082} (( segid " " and resid 46 and name HA )) (( segid " " and resid 15 and name HN )) OR { 2082} (( segid " " and resid 46 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 2083} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HA )) 2.300 0.600 0.600 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.74953E-02 ppm1 0.983 ppm2 3.426 CV 1 OR { 2083} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 69 and name HA )) ASSI { 2085} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 43 and name HA )) 3.900 1.900 1.900 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.17281E-02 ppm1 0.671 ppm2 3.972 CV 1 OR { 2085} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HA1 )) OR { 2085} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 50 and name HA )) ASSI { 2086} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HA )) 3.800 1.800 1.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.46235E-03 ppm1 0.672 ppm2 4.259 CV 1 OR { 2086} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 49 and name HA )) ASSI { 2091} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 49 and name HN )) 4.500 2.500 1.500 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.41270E-03 ppm1 0.672 ppm2 7.903 CV 1 OR { 2091} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 48 and name HN )) ASSI { 2092} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 32 and name HE% ) 3.000 1.100 1.100 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.13681E-02 ppm1 0.672 ppm2 6.985 CV 1 OR { 2092} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 45 and name HN )) ASSI { 2094} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 18 and name HN )) 3.700 1.700 1.700 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 0.985 ppm2 8.200 CV 1 OR { 2094} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 18 and name HN )) OR { 2094} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 39 and name HN )) OR { 2094} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 14 and name HN )) OR { 2094} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 32 and name HN )) ASSI { 2095} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HN )) 2.200 0.600 0.600 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.80585E-02 ppm1 0.983 ppm2 8.080 CV 1 OR { 2095} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HD22)) OR { 2095} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 38 and name HN )) ASSI { 2097} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 15 and name HN )) 3.800 1.800 1.800 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.81553E-03 ppm1 0.669 ppm2 8.808 CV 1 OR { 2097} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 50 and name HN )) ASSI { 2099} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HB )) 1.900 0.500 0.500 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.13107E-01 ppm1 0.989 ppm2 2.282 CV 1 OR { 2099} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HB )) OR { 2099} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 36 and name HB1 )) OR { 2099} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 45 and name HB1 )) ASSI { 2101} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 72 and name HB% ) 4.300 2.400 1.700 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.51913E-03 ppm1 0.673 ppm2 1.624 CV 1 OR { 2101} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 72 and name HB% ) OR { 2101} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 18 and name HG11)) OR { 2101} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 18 and name HB )) OR { 2101} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 53 and name HB1 )) ASSI { 2102} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 50 and name HB% ) 2.800 0.900 0.900 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.29912E-02 ppm1 0.670 ppm2 1.476 CV 1 OR { 2102} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HB2 )) OR { 2102} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 36 and name HG )) ASSI { 2103} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 15 and name HG2%) 2.500 0.800 0.800 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.37338E-02 ppm1 0.671 ppm2 1.177 CV 1 OR { 2103} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 40 and name H3A )) ASSI { 2104} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 8 and name HG2%) 2.700 0.900 0.900 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.69782E-02 ppm1 0.672 ppm2 1.070 CV 1 OR { 2104} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 14 and name HG2%) OR { 2104} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HG12)) OR { 2104} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 68 and name HG2%) ASSI { 2105} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 46 and name HG2%) 2.000 0.500 0.500 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.13721E-01 ppm1 0.671 ppm2 0.984 CV 1 OR { 2105} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 40 and name H5B )) OR { 2105} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 40 and name H5A )) ASSI { 2106} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.100 1.200 1.200 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 3.294 ppm2 8.822 CV 1 OR { 2106} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 2109} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) 3.500 1.500 1.500 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 3.295 ppm2 7.903 CV 1 OR { 2109} (( segid " " and resid 47 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 2111} (( segid " " and resid 47 and name HA )) ( segid " " and resid 48 and name HG2%) 4.900 3.000 1.100 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.52689E-03 ppm1 3.290 ppm2 1.123 CV 1 OR { 2111} (( segid " " and resid 47 and name HA )) ( segid " " and resid 44 and name HG2%) OR { 2111} (( segid " " and resid 47 and name HA )) (( segid " " and resid 40 and name H3B )) ASSI { 2112} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HG2%) 2.200 0.600 0.600 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.11302E-01 ppm1 3.294 ppm2 0.891 CV 1 OR { 2112} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HG1%) OR { 2112} (( segid " " and resid 47 and name HA )) ( segid " " and resid 11 and name HD2%) ASSI { 2114} (( segid " " and resid 47 and name HA )) ( segid " " and resid 50 and name HB% ) 2.500 0.800 0.800 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.38425E-02 ppm1 3.295 ppm2 1.499 CV 1 OR { 2114} (( segid " " and resid 47 and name HA )) ( segid " " and resid 49 and name HB% ) ASSI { 2115} (( segid " " and resid 47 and name HA )) ( segid " " and resid 40 and name H6% ) 2.900 1.100 1.100 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.24472E-02 ppm1 3.296 ppm2 0.645 CV 1 OR { 2115} (( segid " " and resid 47 and name HA )) ( segid " " and resid 46 and name HG1%) OR { 2115} (( segid " " and resid 47 and name HA )) (( segid " " and resid 53 and name HG2 )) ASSI { 2117} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HA )) 4.600 2.600 1.400 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.39992E-03 ppm1 3.301 ppm2 3.975 CV 1 OR { 2117} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HA )) OR { 2117} (( segid " " and resid 47 and name HA )) (( segid " " and resid 43 and name HA )) ASSI { 2118} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HB1 )) 4.500 2.600 1.500 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.78854E-03 ppm1 0.868 ppm2 2.473 CV 1 OR { 2118} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 61 and name HB2 )) ASSI { 2120} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 48 and name HB )) 4.400 2.400 1.600 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.59724E-03 ppm1 0.868 ppm2 2.074 CV 1 OR { 2120} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HB2 )) ASSI { 2121} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 58 and name HB )) 2.700 0.900 0.900 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.48099E-02 ppm1 0.868 ppm2 1.686 CV 1 OR { 2121} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 57 and name HD2 )) OR { 2121} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 57 and name HB2 )) OR { 2121} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 57 and name HB1 )) ASSI { 2122} ( segid " " and resid 47 and name HG1%) ( segid " " and resid 50 and name HB% ) 3.900 1.900 1.900 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.11826E-02 ppm1 0.866 ppm2 1.511 CV 1 OR { 2122} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 58 and name HG11)) OR { 2122} ( segid " " and resid 47 and name HG1%) ( segid " " and resid 49 and name HB% ) ASSI { 2123} ( segid " " and resid 47 and name HG1%) ( segid " " and resid 50 and name HB% ) 3.600 1.600 1.600 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.17660E-02 ppm1 0.869 ppm2 1.482 CV 1 OR { 2123} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 58 and name HG11)) ASSI { 2128} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 60 and name HA )) 4.400 2.400 1.600 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.53799E-03 ppm1 0.871 ppm2 4.227 CV 1 OR { 2128} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HA )) ASSI { 2133} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HN )) 4.000 2.000 2.000 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.78621E-03 ppm1 0.867 ppm2 8.844 CV 1 OR { 2133} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 50 and name HN )) ASSI { 2135} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 48 and name HN )) 2.900 1.100 1.100 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.19452E-02 ppm1 0.869 ppm2 7.896 CV 1 OR { 2135} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 49 and name HN )) ASSI { 2136} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 62 and name HN )) 6.000 4.700 0.000 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.10225E-03 ppm1 0.868 ppm2 7.553 CV 1 OR { 2136} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 63 and name HN )) ASSI { 2138} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 46 and name HN )) 6.000 4.800 0.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.16661E-03 ppm1 0.869 ppm2 8.101 CV 1 OR { 2138} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 54 and name HN )) ASSI { 2139} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 50 and name HB% ) 3.100 1.200 1.200 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.24798E-02 ppm1 0.906 ppm2 1.457 CV 1 OR { 2139} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 43 and name HE% ) OR { 2139} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 50 and name HB% ) ASSI { 2151} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 2.400 0.700 0.700 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.50469E-02 ppm1 3.953 ppm2 2.071 CV 1 OR { 2151} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) ASSI { 2152} (( segid " " and resid 48 and name HA )) ( segid " " and resid 49 and name HB% ) 4.900 2.900 1.100 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.37327E-03 ppm1 3.952 ppm2 1.494 CV 1 OR { 2152} (( segid " " and resid 48 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 2155} (( segid " " and resid 48 and name HB )) (( segid " " and resid 45 and name HA )) 2.800 1.000 1.000 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.39700E-02 ppm1 2.062 ppm2 4.058 CV 1 OR { 2155} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HA )) OR { 2155} (( segid " " and resid 23 and name HB )) (( segid " " and resid 24 and name HA )) OR { 2155} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HB1 )) OR { 2155} (( segid " " and resid 23 and name HB )) (( segid " " and resid 12 and name HA )) OR { 2155} (( segid " " and resid 8 and name HB )) (( segid " " and resid 10 and name HA1 )) ASSI { 2156} (( segid " " and resid 8 and name HB )) (( segid " " and resid 5 and name HA )) 2.600 0.800 0.800 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.37592E-02 ppm1 2.061 ppm2 3.948 CV 1 OR { 2156} (( segid " " and resid 48 and name HB )) (( segid " " and resid 48 and name HA )) ASSI { 2157} (( segid " " and resid 23 and name HB )) (( segid " " and resid 16 and name HD22)) 4.500 2.600 1.500 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.53059E-03 ppm1 2.070 ppm2 8.084 CV 1 OR { 2157} (( segid " " and resid 63 and name HB )) (( segid " " and resid 40 and name H41A)) OR { 2157} (( segid " " and resid 48 and name HB )) (( segid " " and resid 46 and name HN )) OR { 2157} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 38 and name HN )) ASSI { 2158} (( segid " " and resid 48 and name HB )) (( segid " " and resid 48 and name HN )) 2.100 0.600 0.600 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.90680E-02 ppm1 2.065 ppm2 7.901 CV 1 OR { 2158} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HN )) ASSI { 2160} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HN )) 2.500 0.800 0.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.50917E-02 ppm1 3.953 ppm2 7.902 CV 1 OR { 2160} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 2162} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.100 1.200 1.200 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.19943E-02 ppm1 3.952 ppm2 8.855 CV 1 OR { 2162} (( segid " " and resid 48 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2163} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB1 )) 4.400 2.500 1.600 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.82385E-03 ppm1 1.118 ppm2 2.489 CV 1 OR { 2163} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 45 and name HG1 )) OR { 2163} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H38A)) OR { 2163} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H38B)) ASSI { 2167} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HN )) 5.200 3.400 0.800 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.38146E-03 ppm1 1.111 ppm2 8.844 CV 1 OR { 2167} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 50 and name HN )) ASSI { 2170} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 47 and name HA )) 5.600 4.000 0.400 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.23601E-03 ppm1 1.120 ppm2 3.282 CV 1 OR { 2170} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 47 and name HA )) ASSI { 2172} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HN )) 3.400 1.400 1.400 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.67653E-03 ppm1 1.532 ppm2 8.084 CV 1 OR { 2172} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 54 and name HN )) ASSI { 2179} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) 3.500 1.600 1.600 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 1.534 ppm2 3.956 CV 1 OR { 2179} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HA )) ASSI { 2180} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HA )) 2.800 2.800 3.200 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 1.533 ppm2 3.817 CV 1 OR { 2180} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 59 and name HD1 )) ASSI { 2181} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 15 and name HA )) 3.700 3.700 2.300 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.37918E-03 ppm1 1.528 ppm2 3.615 CV 1 OR { 2181} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 44 and name HA )) OR { 2181} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 79 and name HB1 )) ASSI { 2184} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 45 and name HB1 )) 3.700 1.700 1.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.65630E-03 ppm1 1.531 ppm2 2.276 CV 1 OR { 2184} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB )) OR { 2184} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HG2 )) OR { 2184} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HG2 )) OR { 2184} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 13 and name HG2 )) ASSI { 2185} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HB )) 3.600 1.600 1.600 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.19123E-02 ppm1 1.532 ppm2 2.082 CV 1 OR { 2185} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HB2 )) OR { 2185} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB2 )) ASSI { 2191} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 46 and name HG1%) 4.500 2.500 1.500 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.54900E-03 ppm1 1.534 ppm2 0.648 CV 1 OR { 2191} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG2 )) ASSI { 2192} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.35469E-02 ppm1 3.964 ppm2 8.817 CV 1 OR { 2192} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 2194} (( segid " " and resid 50 and name HA )) (( segid " " and resid 52 and name HB1 )) 4.600 2.700 1.400 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.28996E-03 ppm1 3.965 ppm2 2.109 CV 1 OR { 2194} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HB2 )) ASSI { 2195} (( segid " " and resid 50 and name HA )) (( segid " " and resid 14 and name HG11)) 5.600 3.900 0.400 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.12424E-03 ppm1 3.964 ppm2 2.017 CV 1 OR { 2195} (( segid " " and resid 50 and name HA )) (( segid " " and resid 52 and name HB2 )) OR { 2195} (( segid " " and resid 50 and name HA )) (( segid " " and resid 11 and name HG )) OR { 2195} (( segid " " and resid 50 and name HA )) (( segid " " and resid 56 and name HB )) ASSI { 2196} (( segid " " and resid 50 and name HA )) (( segid " " and resid 14 and name HG11)) 4.900 3.000 1.100 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.30117E-03 ppm1 3.964 ppm2 1.987 CV 1 OR { 2196} (( segid " " and resid 50 and name HA )) (( segid " " and resid 11 and name HG )) OR { 2196} (( segid " " and resid 50 and name HA )) (( segid " " and resid 56 and name HB )) ASSI { 2199} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 3.600 1.700 1.700 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.36543E-02 ppm1 3.963 ppm2 1.083 CV 1 OR { 2199} (( segid " " and resid 50 and name HA )) (( segid " " and resid 14 and name HG12)) ASSI { 2200} (( segid " " and resid 50 and name HA )) ( segid " " and resid 47 and name HG2%) 5.000 3.200 1.000 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.21776E-03 ppm1 3.960 ppm2 0.953 CV 1 OR { 2200} (( segid " " and resid 50 and name HA )) ( segid " " and resid 56 and name HG1%) OR { 2200} (( segid " " and resid 50 and name HA )) (( segid " " and resid 76 and name HG12)) OR { 2200} (( segid " " and resid 50 and name HA )) ( segid " " and resid 48 and name HG1%) OR { 2200} (( segid " " and resid 50 and name HA )) ( segid " " and resid 56 and name HG2%) ASSI { 2201} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG1 )) 3.700 1.700 1.700 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 3.962 ppm2 0.870 CV 1 OR { 2201} (( segid " " and resid 50 and name HA )) ( segid " " and resid 11 and name HD2%) ASSI { 2204} (( segid " " and resid 50 and name HA )) ( segid " " and resid 58 and name HD1%) 5.100 3.300 0.900 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.20261E-03 ppm1 3.965 ppm2 0.567 CV 1 OR { 2204} (( segid " " and resid 50 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 2204} (( segid " " and resid 50 and name HA )) ( segid " " and resid 76 and name HG2%) OR { 2204} (( segid " " and resid 50 and name HA )) ( segid " " and resid 7 and name HG2%) ASSI { 2206} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HB2 )) 4.700 2.800 1.300 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.74642E-03 ppm1 1.494 ppm2 1.129 CV 1 OR { 2206} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 40 and name H3B )) OR { 2206} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 73 and name HG2%) ASSI { 2207} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 14 and name HG2%) 3.700 1.700 1.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.17442E-02 ppm1 1.498 ppm2 1.066 CV 1 OR { 2207} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 14 and name HG12)) OR { 2207} ( segid " " and resid 9 and name HB% ) ( segid " " and resid 8 and name HG2%) OR { 2207} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HB2 )) ASSI { 2209} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 11 and name HD2%) 2.300 0.700 0.700 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.66036E-02 ppm1 1.498 ppm2 0.872 CV 1 OR { 2209} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HG1 )) OR { 2209} ( segid " " and resid 9 and name HB% ) ( segid " " and resid 8 and name HG1%) OR { 2209} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 47 and name HG2%) OR { 2209} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 11 and name HD1%) OR { 2209} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 47 and name HG1%) ASSI { 2210} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 14 and name HD1%) 2.600 0.900 0.900 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.31763E-02 ppm1 1.497 ppm2 0.748 CV 1 OR { 2210} ( segid " " and resid 9 and name HB% ) ( segid " " and resid 26 and name HG1%) ASSI { 2215} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 14 and name HB )) 3.300 1.400 1.400 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 1.499 ppm2 2.097 CV 1 OR { 2215} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 11 and name HB1 )) OR { 2215} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 5 and name HB1 )) OR { 2215} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HB2 )) OR { 2215} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 52 and name HB1 )) OR { 2215} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 11 and name HB1 )) ASSI { 2216} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 11 and name HG )) 3.700 1.700 1.700 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.14869E-02 ppm1 1.504 ppm2 2.001 CV 1 OR { 2216} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 8 and name HB )) OR { 2216} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 14 and name HG11)) OR { 2216} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 76 and name HG11)) OR { 2216} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 52 and name HB2 )) OR { 2216} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 56 and name HB )) OR { 2216} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 11 and name HG )) ASSI { 2219} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HD2 )) 5.200 3.400 0.800 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.18588E-03 ppm1 1.503 ppm2 2.708 CV 1 OR { 2219} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HB2 )) ASSI { 2221} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HD2 )) 3.700 1.700 1.700 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.40283E-03 ppm1 3.968 ppm2 2.722 CV 1 OR { 2221} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HB2 )) ASSI { 2222} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 46 and name HA )) 4.700 2.700 1.300 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.47720E-03 ppm1 1.496 ppm2 3.426 CV 1 OR { 2222} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 8 and name HA )) OR { 2222} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HB1 )) ASSI { 2224} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HA )) 6.000 6.000 0.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.18941E-04 ppm1 3.963 ppm2 4.239 CV 1 OR { 2224} (( segid " " and resid 50 and name HA )) (( segid " " and resid 11 and name HA )) ASSI { 2226} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HN )) 5.700 4.000 0.300 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.14445E-03 ppm1 3.955 ppm2 7.920 CV 1 OR { 2226} (( segid " " and resid 50 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 2238} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.30690E-02 ppm1 4.183 ppm2 8.860 CV 1 OR { 2238} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2243} (( segid " " and resid 51 and name HA )) (( segid " " and resid 56 and name HB )) 4.600 2.700 1.400 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.49793E-03 ppm1 4.184 ppm2 2.016 CV 1 OR { 2243} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HB2 )) OR { 2243} (( segid " " and resid 51 and name HA )) (( segid " " and resid 76 and name HG11)) OR { 2243} (( segid " " and resid 51 and name HA )) (( segid " " and resid 59 and name HG1 )) ASSI { 2245} (( segid " " and resid 51 and name HA )) (( segid " " and resid 58 and name HB )) 5.700 4.000 0.300 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.18167E-03 ppm1 4.186 ppm2 1.642 CV 1 OR { 2245} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HD2 )) OR { 2245} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HD1 )) OR { 2245} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HB1 )) ASSI { 2246} (( segid " " and resid 51 and name HA )) ( segid " " and resid 50 and name HB% ) 3.700 1.700 1.700 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.87455E-03 ppm1 4.183 ppm2 1.541 CV 1 OR { 2246} (( segid " " and resid 51 and name HA )) (( segid " " and resid 58 and name HG11)) ASSI { 2249} (( segid " " and resid 51 and name HA )) ( segid " " and resid 56 and name HG1%) 3.100 1.200 1.200 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.40623E-02 ppm1 4.187 ppm2 0.941 CV 1 OR { 2249} (( segid " " and resid 51 and name HA )) ( segid " " and resid 56 and name HG2%) OR { 2249} (( segid " " and resid 51 and name HA )) (( segid " " and resid 76 and name HG12)) OR { 2249} (( segid " " and resid 51 and name HA )) ( segid " " and resid 47 and name HG2%) ASSI { 2250} (( segid " " and resid 51 and name HA )) ( segid " " and resid 58 and name HD1%) 3.800 1.800 1.800 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.57157E-03 ppm1 4.181 ppm2 0.569 CV 1 OR { 2250} (( segid " " and resid 51 and name HA )) ( segid " " and resid 76 and name HG2%) OR { 2250} (( segid " " and resid 51 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 2251} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HA )) 4.500 2.600 1.500 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.42037E-03 ppm1 4.182 ppm2 3.977 CV 1 OR { 2251} (( segid " " and resid 51 and name HA )) (( segid " " and resid 48 and name HA )) ASSI { 2253} (( segid " " and resid 51 and name HA )) (( segid " " and resid 47 and name HA )) 5.300 3.500 0.700 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.20407E-03 ppm1 4.184 ppm2 3.282 CV 1 OR { 2253} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HB1 )) ASSI { 2255} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HA )) 4.100 2.100 1.900 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.48766E-03 ppm1 4.188 ppm2 4.508 CV 1 OR { 2255} (( segid " " and resid 51 and name HA )) (( segid " " and resid 58 and name HA )) ASSI { 2258} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HN )) 3.500 1.500 1.500 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.52438E-03 ppm1 4.186 ppm2 8.188 CV 1 OR { 2258} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HN )) ASSI { 2261} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HN )) 2.600 0.900 0.900 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.39264E-02 ppm1 4.186 ppm2 7.827 CV 1 OR { 2261} (( segid " " and resid 51 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 2266} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 55 and name HN )) 4.800 2.900 1.200 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.59934E-03 ppm1 2.114 ppm2 7.829 CV 1 OR { 2266} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 56 and name HN )) ASSI { 2270} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HA )) 5.600 3.900 0.400 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.22742E-03 ppm1 2.832 ppm2 4.505 CV 1 OR { 2270} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 55 and name HA )) ASSI { 2272} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 48 and name HA )) 3.300 1.300 1.300 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.10084E-02 ppm1 2.827 ppm2 3.955 CV 1 OR { 2272} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 50 and name HA )) ASSI { 2274} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 58 and name HA )) 5.600 3.900 0.400 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.13229E-03 ppm1 2.300 ppm2 4.510 CV 1 OR { 2274} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 55 and name HA )) ASSI { 2277} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.31643E-02 ppm1 2.316 ppm2 3.940 CV 1 OR { 2277} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 48 and name HA )) ASSI { 2279} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HB )) 4.200 2.300 1.800 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.97568E-03 ppm1 2.825 ppm2 1.681 CV 1 OR { 2279} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HB2 )) OR { 2279} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HB1 )) OR { 2279} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HD2 )) OR { 2279} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HD1 )) ASSI { 2280} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HG11)) 3.600 1.600 1.600 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.11636E-02 ppm1 2.828 ppm2 1.524 CV 1 OR { 2280} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 50 and name HB% ) ASSI { 2282} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HB1 )) 2.300 0.700 0.700 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.80256E-02 ppm1 2.306 ppm2 2.104 CV 1 OR { 2282} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB2 )) ASSI { 2283} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 58 and name HB )) 4.100 2.100 1.900 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.90547E-03 ppm1 2.300 ppm2 1.674 CV 1 OR { 2283} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HB2 )) OR { 2283} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HD2 )) OR { 2283} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HB1 )) ASSI { 2284} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 50 and name HB% ) 3.500 1.500 1.500 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.14389E-02 ppm1 2.301 ppm2 1.533 CV 1 OR { 2284} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 58 and name HG11)) ASSI { 2285} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 48 and name HG2%) 3.900 1.900 1.900 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.21545E-03 ppm1 2.825 ppm2 1.111 CV 1 OR { 2285} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 53 and name HB2 )) OR { 2285} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 44 and name HG2%) ASSI { 2286} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 47 and name HG1%) 2.600 0.800 0.800 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.28148E-02 ppm1 2.827 ppm2 0.870 CV 1 OR { 2286} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 47 and name HG2%) OR { 2286} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HG12)) ASSI { 2287} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 48 and name HG2%) 3.800 1.800 1.800 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.26476E-03 ppm1 2.304 ppm2 1.108 CV 1 OR { 2287} (( segid " " and resid 5 and name HG2 )) ( segid " " and resid 73 and name HG2%) OR { 2287} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 53 and name HB2 )) OR { 2287} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 44 and name HG2%) OR { 2287} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 40 and name H3B )) ASSI { 2288} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 48 and name HG1%) 4.600 2.600 1.400 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.54763E-03 ppm1 2.291 ppm2 0.985 CV 1 OR { 2288} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 56 and name HG2%) OR { 2288} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 40 and name H5B )) OR { 2288} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 40 and name H5A )) ASSI { 2289} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 47 and name HG1%) 3.100 1.200 1.200 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.22625E-02 ppm1 2.300 ppm2 0.872 CV 1 OR { 2289} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 47 and name HG2%) OR { 2289} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 58 and name HG12)) OR { 2289} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 76 and name HG12)) ASSI { 2293} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 40 and name H6% ) 4.700 2.700 1.300 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.50547E-03 ppm1 2.303 ppm2 0.656 CV 1 OR { 2293} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 76 and name HD1%) OR { 2293} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 53 and name HG2 )) ASSI { 2294} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 58 and name HD1%) 3.300 1.400 1.400 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 2.300 ppm2 0.574 CV 1 OR { 2294} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 76 and name HD1%) ASSI { 2298} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HN )) 2.400 0.700 0.700 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.34368E-02 ppm1 2.828 ppm2 8.858 CV 1 OR { 2298} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 50 and name HN )) ASSI { 2300} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 48 and name HN )) 4.600 2.600 1.400 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.24076E-03 ppm1 2.825 ppm2 7.887 CV 1 OR { 2300} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 49 and name HN )) ASSI { 2301} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 56 and name HN )) 6.000 5.200 0.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.12988E-03 ppm1 2.827 ppm2 7.818 CV 1 OR { 2301} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 55 and name HN )) ASSI { 2304} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 56 and name HN )) 5.100 3.300 0.900 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.32367E-03 ppm1 2.293 ppm2 7.836 CV 1 OR { 2304} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 55 and name HN )) ASSI { 2305} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 52 and name HN )) 4.300 2.300 1.700 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.42119E-03 ppm1 2.305 ppm2 7.723 CV 1 OR { 2305} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 6 and name HN )) ASSI { 2307} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 3.100 1.200 1.200 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.27885E-02 ppm1 2.308 ppm2 8.860 CV 1 OR { 2307} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HN )) ASSI { 2309} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.33373E-02 ppm1 2.141 ppm2 7.723 CV 1 OR { 2309} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) ASSI { 2318} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 2.600 0.800 0.800 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.46587E-02 ppm1 2.141 ppm2 4.120 CV 1 OR { 2318} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) ASSI { 2321} (( segid " " and resid 6 and name HA )) (( segid " " and resid 54 and name HZ )) 5.700 4.000 0.300 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.13839E-03 ppm1 4.126 ppm2 7.457 CV 1 OR { 2321} (( segid " " and resid 52 and name HA )) ( segid " " and resid 54 and name HD% ) OR { 2321} (( segid " " and resid 6 and name HA )) ( segid " " and resid 54 and name HD% ) ASSI { 2322} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HG1 )) 2.700 0.900 0.900 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.46212E-02 ppm1 4.120 ppm2 2.445 CV 1 OR { 2322} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HG1 )) ASSI { 2327} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 49 and name HB% ) 5.000 3.100 1.000 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.12006E-03 ppm1 2.050 ppm2 1.537 CV 1 OR { 2327} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 50 and name HB% ) ASSI { 2328} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 53 and name HA )) 5.600 3.900 0.400 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.96727E-04 ppm1 2.049 ppm2 3.923 CV 1 OR { 2328} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 50 and name HA )) ASSI { 2329} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 52 and name HN )) 3.800 1.800 1.800 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.12287E-02 ppm1 2.246 ppm2 7.725 CV 1 OR { 2329} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 25 and name HN )) OR { 2329} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 25 and name HN )) ASSI { 2330} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 48 and name HN )) 5.400 3.600 0.600 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.15027E-03 ppm1 2.243 ppm2 7.863 CV 1 OR { 2330} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 55 and name HN )) OR { 2330} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 49 and name HN )) OR { 2330} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 20 and name HN )) ASSI { 2345} (( segid " " and resid 53 and name HA )) ( segid " " and resid 54 and name HD% ) 5.200 3.400 0.800 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.32344E-03 ppm1 3.906 ppm2 7.473 CV 1 OR { 2345} (( segid " " and resid 77 and name HA )) ( segid " " and resid 54 and name HD% ) OR { 2345} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HZ )) ASSI { 2350} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.33181E-02 ppm1 1.090 ppm2 3.933 CV 1 OR { 2350} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 50 and name HA )) ASSI { 2351} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.600 0.900 0.900 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.45819E-02 ppm1 1.610 ppm2 3.919 CV 1 OR { 2351} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 50 and name HA )) ASSI { 2354} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HG1 )) 3.000 1.100 1.100 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.34900E-02 ppm1 3.903 ppm2 2.708 CV 1 OR { 2354} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HD2 )) ASSI { 2366} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HA )) 4.400 2.500 1.600 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.28564E-03 ppm1 3.910 ppm2 4.824 CV 1 OR { 2366} (( segid " " and resid 77 and name HA )) (( segid " " and resid 54 and name HA )) ASSI { 2378} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 50 and name HA )) 3.300 1.400 1.400 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.17801E-02 ppm1 2.881 ppm2 3.914 CV 1 OR { 2378} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 10 and name HA2 )) OR { 2378} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HA )) ASSI { 2379} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 10 and name HA2 )) 3.700 1.700 1.700 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.18835E-02 ppm1 2.709 ppm2 3.907 CV 1 OR { 2379} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HA )) OR { 2379} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 7 and name HA )) ASSI { 2381} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 14 and name HG11)) 4.200 2.200 1.800 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.48213E-03 ppm1 2.878 ppm2 1.994 CV 1 OR { 2381} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 11 and name HG )) ASSI { 2382} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 14 and name HG11)) 4.200 2.200 1.800 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.35519E-03 ppm1 2.708 ppm2 1.983 CV 1 OR { 2382} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 11 and name HG )) ASSI { 2388} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HG1 )) 2.500 0.800 0.800 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.24532E-02 ppm1 2.877 ppm2 0.865 CV 1 OR { 2388} (( segid " " and resid 53 and name HD1 )) ( segid " " and resid 11 and name HD2%) ASSI { 2389} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HG1 )) 2.900 1.100 1.100 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.22968E-02 ppm1 2.710 ppm2 0.863 CV 1 OR { 2389} (( segid " " and resid 53 and name HD2 )) ( segid " " and resid 11 and name HD2%) ASSI { 2390} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HB2 )) 3.200 1.300 1.300 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.16975E-02 ppm1 2.879 ppm2 1.072 CV 1 OR { 2390} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 14 and name HG12)) ASSI { 2391} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HB2 )) 3.300 1.300 1.300 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 2.708 ppm2 1.078 CV 1 OR { 2391} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 14 and name HG12)) ASSI { 2397} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HA )) 4.100 2.100 1.900 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.28595E-03 ppm1 0.871 ppm2 4.844 CV 1 OR { 2397} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 54 and name HA )) ASSI { 2399} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 50 and name HA )) 2.300 0.600 0.600 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.18958E-02 ppm1 0.677 ppm2 3.916 CV 1 OR { 2399} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HA )) ASSI { 2401} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 50 and name HA )) 3.400 1.400 1.400 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.26036E-02 ppm1 0.867 ppm2 3.912 CV 1 OR { 2401} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HA )) OR { 2401} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 7 and name HA )) OR { 2401} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 10 and name HA2 )) ASSI { 2402} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 59 and name HD2 )) 4.600 2.700 1.400 peak 2402 spectrum 1 weight 0.10000E+01 volume 0.75483E-03 ppm1 0.858 ppm2 3.804 CV 1 OR { 2402} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 59 and name HD1 )) OR { 2402} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 70 and name HA2 )) ASSI { 2403} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HD1 )) 2.600 0.900 0.900 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.17780E-02 ppm1 0.866 ppm2 2.871 CV 1 OR { 2403} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 51 and name HG1 )) ASSI { 2404} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HD2 )) 3.100 1.200 1.200 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.17527E-02 ppm1 0.868 ppm2 2.708 CV 1 OR { 2404} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HB2 )) ASSI { 2406} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HD2 )) 2.500 0.800 0.800 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.21126E-02 ppm1 0.679 ppm2 2.708 CV 1 OR { 2406} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HB2 )) ASSI { 2409} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 62 and name HB2 )) 4.500 2.500 1.500 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.55750E-03 ppm1 0.864 ppm2 2.432 CV 1 OR { 2409} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 62 and name HB1 )) OR { 2409} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 51 and name HB1 )) OR { 2409} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 6 and name HG1 )) OR { 2409} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 59 and name HB1 )) OR { 2409} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 6 and name HG1 )) OR { 2409} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 51 and name HB1 )) ASSI { 2413} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HE% ) 4.400 2.500 1.600 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.72317E-03 ppm1 2.746 ppm2 7.141 CV 1 OR { 2413} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 64 and name HN )) ASSI { 2417} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD% ) 2.200 0.600 0.600 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.56234E-02 ppm1 2.745 ppm2 7.470 CV 1 OR { 2417} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HN )) ASSI { 2419} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 80 and name HE22)) 3.600 1.600 1.600 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.33583E-03 ppm1 3.440 ppm2 7.729 CV 1 OR { 2419} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 52 and name HN )) ASSI { 2425} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HA )) 3.000 1.100 1.100 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.37224E-02 ppm1 2.743 ppm2 4.861 CV 1 OR { 2425} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) ASSI { 2426} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HA )) 4.900 3.000 1.100 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.28780E-03 ppm1 2.737 ppm2 4.480 CV 1 OR { 2426} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HA )) OR { 2426} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 67 and name HA )) ASSI { 2427} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 76 and name HA )) 5.500 3.700 0.500 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.23789E-03 ppm1 2.745 ppm2 3.549 CV 1 OR { 2427} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 28 and name HA )) OR { 2427} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 79 and name HB1 )) ASSI { 2429} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HD1 )) 5.300 3.500 0.700 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.31613E-03 ppm1 3.443 ppm2 2.858 CV 1 OR { 2429} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 51 and name HG1 )) ASSI { 2431} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 56 and name HB )) 4.100 2.100 1.900 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 2.747 ppm2 2.006 CV 1 OR { 2431} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 76 and name HG11)) OR { 2431} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 11 and name HG )) ASSI { 2432} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HG )) 3.700 1.700 1.700 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.49044E-03 ppm1 2.739 ppm2 1.789 CV 1 OR { 2432} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 76 and name HB )) OR { 2432} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 64 and name HB2 )) ASSI { 2433} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 2 and name HB% ) 6.000 4.500 0.000 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.23814E-03 ppm1 2.748 ppm2 1.576 CV 1 OR { 2433} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 7 and name HG11)) ASSI { 2437} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 76 and name HB )) 5.100 3.300 0.900 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.29997E-03 ppm1 3.448 ppm2 1.769 CV 1 OR { 2437} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 7 and name HB )) ASSI { 2438} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 2 and name HB% ) 5.100 3.200 0.900 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.44093E-03 ppm1 3.439 ppm2 1.529 CV 1 OR { 2438} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 50 and name HB% ) OR { 2438} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 58 and name HG11)) OR { 2438} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 7 and name HG11)) ASSI { 2444} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 56 and name HG1%) 3.000 1.100 1.100 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.21241E-02 ppm1 3.440 ppm2 0.939 CV 1 OR { 2444} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 56 and name HG2%) OR { 2444} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 76 and name HG12)) ASSI { 2445} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 56 and name HG1%) 3.100 1.200 1.200 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 2.744 ppm2 0.937 CV 1 OR { 2445} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 76 and name HG12)) OR { 2445} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 56 and name HG2%) OR { 2445} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 28 and name HD2%) OR { 2445} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HB2 )) ASSI { 2446} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 76 and name HG2%) 2.400 0.700 0.700 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.39189E-02 ppm1 3.440 ppm2 0.536 CV 1 OR { 2446} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 58 and name HD1%) OR { 2446} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 7 and name HD1%) ASSI { 2447} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 76 and name HG2%) 3.000 1.100 1.100 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.25697E-02 ppm1 2.747 ppm2 0.535 CV 1 OR { 2447} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 58 and name HD1%) OR { 2447} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 7 and name HD1%) ASSI { 2448} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 58 and name HD1%) 3.100 1.200 1.200 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.14638E-02 ppm1 2.742 ppm2 0.611 CV 1 OR { 2448} (( segid " " and resid 65 and name HB2 )) ( segid " " and resid 66 and name HD2%) OR { 2448} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 76 and name HD1%) OR { 2448} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 7 and name HG2%) ASSI { 2449} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 58 and name HD1%) 3.900 1.900 1.900 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.90648E-03 ppm1 3.436 ppm2 0.611 CV 1 OR { 2449} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 76 and name HD1%) OR { 2449} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 7 and name HG2%) ASSI { 2450} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 2 and name HB% ) 4.600 2.700 1.400 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.41844E-03 ppm1 3.439 ppm2 1.577 CV 1 OR { 2450} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 58 and name HG11)) OR { 2450} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 7 and name HG11)) ASSI { 2453} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.25827E-02 ppm1 4.678 ppm2 7.827 CV 1 OR { 2453} (( segid " " and resid 56 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 2458} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HA )) 4.800 2.900 1.200 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.36253E-03 ppm1 2.016 ppm2 3.582 CV 1 OR { 2458} (( segid " " and resid 56 and name HB )) (( segid " " and resid 79 and name HB1 )) OR { 2458} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 26 and name HA )) ASSI { 2460} (( segid " " and resid 56 and name HB )) (( segid " " and resid 54 and name HB2 )) 3.900 1.900 1.900 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.62515E-03 ppm1 2.009 ppm2 2.753 CV 1 OR { 2460} (( segid " " and resid 56 and name HB )) (( segid " " and resid 80 and name HG1 )) ASSI { 2461} (( segid " " and resid 56 and name HB )) (( segid " " and resid 79 and name HB2 )) 4.700 2.700 1.300 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.31272E-03 ppm1 2.016 ppm2 2.523 CV 1 OR { 2461} (( segid " " and resid 56 and name HB )) (( segid " " and resid 55 and name HB2 )) OR { 2461} (( segid " " and resid 56 and name HB )) (( segid " " and resid 51 and name HB1 )) ASSI { 2463} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HB1 )) 3.300 1.400 1.400 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.14883E-02 ppm1 4.681 ppm2 1.692 CV 1 OR { 2463} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HB2 )) OR { 2463} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HD2 )) OR { 2463} (( segid " " and resid 56 and name HA )) (( segid " " and resid 58 and name HB )) ASSI { 2465} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 69 and name HG2%) 5.000 3.100 1.000 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.44963E-03 ppm1 2.017 ppm2 0.632 CV 1 OR { 2465} (( segid " " and resid 56 and name HB )) ( segid " " and resid 76 and name HD1%) OR { 2465} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 36 and name HD1%) ASSI { 2466} (( segid " " and resid 56 and name HB )) ( segid " " and resid 76 and name HG2%) 3.200 1.200 1.200 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.13616E-02 ppm1 2.006 ppm2 0.553 CV 1 OR { 2466} (( segid " " and resid 56 and name HB )) ( segid " " and resid 58 and name HD1%) OR { 2466} (( segid " " and resid 56 and name HB )) ( segid " " and resid 7 and name HD1%) ASSI { 2480} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 36 and name HD1%) 2.600 2.600 3.400 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 0.931 ppm2 0.572 CV 1 OR { 2480} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 76 and name HG2%) OR { 2480} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 58 and name HD1%) OR { 2480} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 76 and name HD1%) ASSI { 2481} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 76 and name HG2%) 2.600 0.900 0.900 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.36737E-02 ppm1 0.933 ppm2 0.541 CV 1 OR { 2481} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 58 and name HD1%) OR { 2481} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 7 and name HD1%) ASSI { 2482} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 76 and name HG2%) 3.100 1.200 1.200 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.27254E-02 ppm1 0.976 ppm2 0.557 CV 1 OR { 2482} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 58 and name HD1%) OR { 2482} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 7 and name HD1%) ASSI { 2483} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 76 and name HG2%) 2.900 1.100 1.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.31290E-02 ppm1 0.977 ppm2 0.525 CV 1 OR { 2483} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 7 and name HD1%) ASSI { 2484} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 58 and name HD1%) 3.700 1.700 1.700 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.19488E-02 ppm1 0.976 ppm2 0.618 CV 1 OR { 2484} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 76 and name HD1%) ASSI { 2485} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 58 and name HG11)) 2.700 0.900 0.900 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.28531E-02 ppm1 0.924 ppm2 1.510 CV 1 OR { 2485} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 36 and name HG )) OR { 2485} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 50 and name HB% ) OR { 2485} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 19 and name HB% ) ASSI { 2487} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 56 and name HB )) 2.300 0.700 0.700 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.69640E-02 ppm1 0.930 ppm2 2.006 CV 1 OR { 2487} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 76 and name HG11)) ASSI { 2488} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 11 and name HB1 )) 4.100 2.100 1.900 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.89456E-03 ppm1 0.931 ppm2 2.123 CV 1 OR { 2488} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HB2 )) OR { 2488} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 51 and name HB2 )) OR { 2488} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 80 and name HB2 )) OR { 2488} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 14 and name HB )) ASSI { 2490} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 79 and name HB2 )) 3.400 1.400 1.400 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 0.931 ppm2 2.527 CV 1 OR { 2490} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 55 and name HB2 )) ASSI { 2491} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 79 and name HB2 )) 3.600 1.600 1.600 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.11129E-02 ppm1 0.936 ppm2 2.503 CV 1 OR { 2491} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 51 and name HB1 )) ASSI { 2492} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HB2 )) 3.300 1.300 1.300 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.12894E-02 ppm1 0.977 ppm2 2.551 CV 1 OR { 2492} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HG2 )) ASSI { 2494} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 54 and name HB2 )) 3.300 1.400 1.400 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.25117E-02 ppm1 0.968 ppm2 2.732 CV 1 OR { 2494} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HG1 )) OR { 2494} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 16 and name HB2 )) OR { 2494} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 25 and name HB1 )) ASSI { 2496} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 54 and name HB2 )) 3.200 1.300 1.300 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.16429E-02 ppm1 0.930 ppm2 2.732 CV 1 OR { 2496} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 25 and name HB1 )) ASSI { 2497} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 55 and name HB1 )) 4.900 3.000 1.100 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.38173E-03 ppm1 0.971 ppm2 3.249 CV 1 OR { 2497} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 47 and name HA )) ASSI { 2499} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HA )) 3.200 1.300 1.300 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 0.930 ppm2 3.569 CV 1 OR { 2499} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 26 and name HA )) OR { 2499} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 23 and name HA )) OR { 2499} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 79 and name HB1 )) OR { 2499} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 26 and name HA )) ASSI { 2500} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.21016E-02 ppm1 0.930 ppm2 3.510 CV 1 OR { 2500} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 26 and name HA )) ASSI { 2501} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.21902E-02 ppm1 0.931 ppm2 3.475 CV 1 OR { 2501} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 54 and name HB1 )) ASSI { 2505} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 58 and name HA )) 4.700 2.800 1.300 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.38849E-03 ppm1 0.930 ppm2 4.509 CV 1 OR { 2505} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 55 and name HA )) ASSI { 2509} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HA )) 3.000 1.200 1.200 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.21713E-02 ppm1 0.980 ppm2 4.678 CV 1 OR { 2509} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HA )) OR { 2509} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 39 and name HA )) ASSI { 2510} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 54 and name HA )) 5.200 3.400 0.800 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.33566E-03 ppm1 0.926 ppm2 4.867 CV 1 OR { 2510} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 31 and name HA )) ASSI { 2520} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HN )) 4.200 2.200 1.800 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.61482E-03 ppm1 0.929 ppm2 7.722 CV 1 OR { 2520} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 25 and name HN )) OR { 2520} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 80 and name HE22)) OR { 2520} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 79 and name HN )) ASSI { 2521} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 25 and name HN )) 4.400 2.400 1.600 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.56513E-03 ppm1 0.931 ppm2 7.699 CV 1 OR { 2521} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 80 and name HE21)) OR { 2521} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 80 and name HE22)) OR { 2521} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 79 and name HN )) ASSI { 2523} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 54 and name HD% ) 4.200 2.300 1.800 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.54343E-03 ppm1 0.975 ppm2 7.466 CV 1 OR { 2523} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 26 and name HN )) ASSI { 2525} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HN )) 3.900 1.900 1.900 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.11179E-02 ppm1 0.977 ppm2 7.729 CV 1 OR { 2525} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HE22)) OR { 2525} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 52 and name HN )) OR { 2525} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 25 and name HN )) ASSI { 2526} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HE21)) 3.900 1.900 1.900 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.74542E-03 ppm1 0.976 ppm2 7.676 CV 1 OR { 2526} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HN )) ASSI { 2533} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 76 and name HN )) 4.900 3.000 1.100 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.37685E-03 ppm1 0.926 ppm2 8.516 CV 1 OR { 2533} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 77 and name HN )) ASSI { 2536} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 15 and name HN )) 5.000 3.100 1.000 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.31929E-03 ppm1 0.932 ppm2 8.838 CV 1 OR { 2536} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 51 and name HN )) OR { 2536} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 2 and name HN )) ASSI { 2545} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HG1 )) 4.500 2.500 1.500 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.83654E-03 ppm1 1.689 ppm2 1.967 CV 1 OR { 2545} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HG2 )) OR { 2545} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 56 and name HB )) OR { 2545} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 56 and name HB )) OR { 2545} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HG1 )) OR { 2545} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HG2 )) OR { 2545} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HB2 )) ASSI { 2549} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 56 and name HG1%) 5.000 3.200 1.000 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.17546E-03 ppm1 1.687 ppm2 0.945 CV 1 OR { 2549} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 56 and name HG1%) OR { 2549} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 56 and name HG2%) OR { 2549} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 56 and name HG2%) OR { 2549} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 76 and name HG12)) OR { 2549} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 76 and name HG12)) ASSI { 2556} (( segid " " and resid 57 and name HD2 )) ( segid " " and resid 56 and name HG1%) 4.600 2.700 1.400 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.44144E-03 ppm1 1.659 ppm2 0.958 CV 1 OR { 2556} (( segid " " and resid 57 and name HD2 )) ( segid " " and resid 56 and name HG2%) OR { 2556} (( segid " " and resid 57 and name HD1 )) ( segid " " and resid 56 and name HG1%) OR { 2556} (( segid " " and resid 57 and name HD1 )) ( segid " " and resid 56 and name HG2%) OR { 2556} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 76 and name HG12)) OR { 2556} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 76 and name HG12)) ASSI { 2564} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG11)) 3.000 1.100 1.100 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.12972E-02 ppm1 4.522 ppm2 1.508 CV 1 OR { 2564} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) ASSI { 2565} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG12)) 3.100 1.200 1.200 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.30771E-02 ppm1 4.530 ppm2 0.854 CV 1 OR { 2565} (( segid " " and resid 58 and name HA )) ( segid " " and resid 47 and name HG1%) OR { 2565} (( segid " " and resid 67 and name HA )) (( segid " " and resid 40 and name H4A )) OR { 2565} (( segid " " and resid 67 and name HA )) (( segid " " and resid 40 and name H4B )) OR { 2565} (( segid " " and resid 58 and name HA )) ( segid " " and resid 63 and name HG1%) ASSI { 2566} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 3.100 1.200 1.200 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 4.518 ppm2 1.672 CV 1 OR { 2566} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HB1 )) OR { 2566} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 2569} (( segid " " and resid 58 and name HA )) (( segid " " and resid 62 and name HB1 )) 3.900 1.900 1.900 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.76396E-03 ppm1 4.520 ppm2 2.403 CV 1 OR { 2569} (( segid " " and resid 58 and name HA )) (( segid " " and resid 62 and name HB2 )) OR { 2569} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HB1 )) ASSI { 2577} (( segid " " and resid 58 and name HB )) (( segid " " and resid 60 and name HA )) 6.000 5.700 0.000 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.54434E-04 ppm1 1.687 ppm2 4.208 CV 1 OR { 2577} (( segid " " and resid 58 and name HB )) (( segid " " and resid 51 and name HA )) OR { 2577} (( segid " " and resid 58 and name HB )) (( segid " " and resid 75 and name HA )) ASSI { 2587} (( segid " " and resid 58 and name HB )) (( segid " " and resid 51 and name HG2 )) 5.700 4.100 0.300 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.88862E-04 ppm1 1.681 ppm2 2.335 CV 1 OR { 2587} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HB1 )) ASSI { 2589} (( segid " " and resid 58 and name HB )) (( segid " " and resid 51 and name HG2 )) 5.000 3.100 1.000 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.21089E-03 ppm1 1.689 ppm2 2.267 CV 1 OR { 2589} (( segid " " and resid 58 and name HB )) (( segid " " and resid 47 and name HB )) OR { 2589} (( segid " " and resid 58 and name HB )) (( segid " " and resid 40 and name H2A )) OR { 2589} (( segid " " and resid 58 and name HB )) (( segid " " and resid 40 and name H2B )) ASSI { 2590} (( segid " " and resid 58 and name HB )) (( segid " " and resid 63 and name HB )) 4.800 2.800 1.200 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.32829E-03 ppm1 1.683 ppm2 2.032 CV 1 OR { 2590} (( segid " " and resid 58 and name HB )) (( segid " " and resid 76 and name HG11)) OR { 2590} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HG1 )) OR { 2590} (( segid " " and resid 58 and name HB )) (( segid " " and resid 56 and name HB )) ASSI { 2592} (( segid " " and resid 58 and name HB )) (( segid " " and resid 57 and name HG1 )) 4.000 2.000 2.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.97696E-03 ppm1 1.683 ppm2 1.401 CV 1 OR { 2592} (( segid " " and resid 58 and name HB )) (( segid " " and resid 64 and name HG1 )) OR { 2592} (( segid " " and resid 58 and name HB )) (( segid " " and resid 64 and name HG2 )) ASSI { 2595} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG12)) 2.400 0.700 0.700 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.58582E-02 ppm1 1.687 ppm2 0.875 CV 1 OR { 2595} (( segid " " and resid 58 and name HB )) ( segid " " and resid 47 and name HG2%) OR { 2595} (( segid " " and resid 58 and name HB )) ( segid " " and resid 63 and name HG2%) OR { 2595} (( segid " " and resid 58 and name HB )) ( segid " " and resid 47 and name HG1%) OR { 2595} (( segid " " and resid 58 and name HB )) (( segid " " and resid 76 and name HG12)) ASSI { 2596} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HD1%) 2.500 0.800 0.800 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.42357E-02 ppm1 1.685 ppm2 0.572 CV 1 OR { 2596} (( segid " " and resid 58 and name HB )) ( segid " " and resid 76 and name HD1%) ASSI { 2599} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HD1%) 3.800 1.800 1.800 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.15174E-02 ppm1 4.521 ppm2 0.569 CV 1 OR { 2599} (( segid " " and resid 58 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 2599} (( segid " " and resid 58 and name HA )) ( segid " " and resid 66 and name HD2%) OR { 2599} (( segid " " and resid 67 and name HA )) ( segid " " and resid 66 and name HD2%) ASSI { 2602} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 51 and name HA )) 4.600 2.600 1.400 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.54288E-03 ppm1 1.530 ppm2 4.217 CV 1 OR { 2602} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 75 and name HA )) OR { 2602} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 60 and name HA )) ASSI { 2617} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 76 and name HG11)) 4.500 2.600 1.500 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.45174E-03 ppm1 1.535 ppm2 1.988 CV 1 OR { 2617} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 56 and name HB )) ASSI { 2620} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 58 and name HD1%) 2.300 0.600 0.600 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.67873E-02 ppm1 1.537 ppm2 0.573 CV 1 OR { 2620} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 76 and name HD1%) OR { 2620} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 76 and name HG2%) ASSI { 2622} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 58 and name HG11)) 1.600 0.300 0.600 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.13687E-01 ppm1 0.857 ppm2 1.535 CV 1 OR { 2622} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 50 and name HB% ) OR { 2622} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 50 and name HB% ) ASSI { 2623} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 58 and name HD1%) 3.100 1.200 1.200 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.49876E-02 ppm1 0.340 ppm2 0.594 CV 1 OR { 2623} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 76 and name HD1%) OR { 2623} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 40 and name H6% ) OR { 2623} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 66 and name HD2%) ASSI { 2624} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 58 and name HD1%) 3.100 1.200 1.200 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.59875E-02 ppm1 0.340 ppm2 0.553 CV 1 OR { 2624} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 66 and name HD2%) ASSI { 2625} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HG12)) 2.100 0.600 0.600 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.90926E-02 ppm1 0.340 ppm2 0.889 CV 1 OR { 2625} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 63 and name HG2%) OR { 2625} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 47 and name HG2%) OR { 2625} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 76 and name HG12)) OR { 2625} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 40 and name H4A )) OR { 2625} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 56 and name HG1%) ASSI { 2627} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 63 and name HB )) 3.300 1.400 1.400 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.13227E-02 ppm1 0.340 ppm2 2.013 CV 1 OR { 2627} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 76 and name HG11)) OR { 2627} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HG1 )) ASSI { 2630} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 66 and name HG )) 4.800 2.900 1.200 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.33153E-03 ppm1 0.341 ppm2 1.790 CV 1 OR { 2630} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 76 and name HB )) ASSI { 2635} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 75 and name HB1 )) 5.700 4.100 0.300 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.12386E-03 ppm1 0.344 ppm2 3.099 CV 1 OR { 2635} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 75 and name HB2 )) OR { 2635} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 71 and name HB1 )) ASSI { 2636} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 51 and name HG1 )) 5.700 4.000 0.300 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.24323E-03 ppm1 0.342 ppm2 2.822 CV 1 OR { 2636} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 40 and name H43B)) ASSI { 2637} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HB1 )) 6.000 5.300 0.000 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.79361E-04 ppm1 0.343 ppm2 2.631 CV 1 OR { 2637} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HB2 )) OR { 2637} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 61 and name HB1 )) ASSI { 2639} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 51 and name HG2 )) 5.100 3.300 0.900 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.43170E-03 ppm1 0.342 ppm2 2.276 CV 1 OR { 2639} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 40 and name H2B )) OR { 2639} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 40 and name H2A )) OR { 2639} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 43 and name HG1 )) ASSI { 2642} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 62 and name HA )) 5.100 3.200 0.900 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.20303E-03 ppm1 0.342 ppm2 4.652 CV 1 OR { 2642} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HA )) ASSI { 2644} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HA )) 5.100 3.200 0.900 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.15109E-03 ppm1 0.341 ppm2 4.402 CV 1 OR { 2644} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 80 and name HA )) ASSI { 2645} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HA )) 5.400 3.700 0.600 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.24920E-03 ppm1 0.338 ppm2 4.195 CV 1 OR { 2645} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 75 and name HA )) OR { 2645} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 51 and name HA )) ASSI { 2647} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 64 and name HA )) 5.900 4.300 0.100 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.62844E-04 ppm1 0.338 ppm2 3.946 CV 1 OR { 2647} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 74 and name HA )) ASSI { 2649} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 66 and name HN )) 6.000 4.900 0.000 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.12674E-03 ppm1 0.338 ppm2 7.696 CV 1 OR { 2649} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 65 and name HD22)) OR { 2649} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 79 and name HN )) OR { 2649} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 80 and name HE21)) ASSI { 2651} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 64 and name HN )) 5.400 3.700 0.600 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.13246E-03 ppm1 0.341 ppm2 7.168 CV 1 OR { 2651} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 54 and name HE% ) ASSI { 2660} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 63 and name HA )) 4.500 2.600 1.500 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.79690E-03 ppm1 0.573 ppm2 3.210 CV 1 OR { 2660} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 55 and name HB1 )) ASSI { 2664} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 51 and name HB2 )) 3.900 1.900 1.900 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.33430E-03 ppm1 0.579 ppm2 2.136 CV 1 OR { 2664} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 66 and name HB1 )) OR { 2664} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 80 and name HB2 )) ASSI { 2665} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 76 and name HG11)) 4.100 2.100 1.900 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.75442E-03 ppm1 0.569 ppm2 2.022 CV 1 OR { 2665} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 56 and name HB )) ASSI { 2666} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 59 and name HG2 )) 3.900 1.900 1.900 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.28667E-03 ppm1 0.582 ppm2 1.934 CV 1 OR { 2666} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 59 and name HB2 )) OR { 2666} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 74 and name HB2 )) OR { 2666} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 74 and name HB1 )) ASSI { 2670} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HG11)) 2.100 0.600 0.600 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.80014E-02 ppm1 0.573 ppm2 1.525 CV 1 OR { 2670} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 50 and name HB% ) ASSI { 2671} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HG12)) 1.900 0.500 0.500 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.13821E-01 ppm1 0.573 ppm2 0.850 CV 1 OR { 2671} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 11 and name HD2%) ASSI { 2680} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 61 and name HN )) 3.200 1.300 1.300 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.97874E-03 ppm1 1.934 ppm2 8.646 CV 1 OR { 2680} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) ASSI { 2681} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 61 and name HN )) 3.700 1.700 1.700 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.97043E-03 ppm1 2.388 ppm2 8.632 CV 1 OR { 2681} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) ASSI { 2683} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HN )) 2.300 0.600 0.600 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.60514E-02 ppm1 4.403 ppm2 8.624 CV 1 OR { 2683} (( segid " " and resid 59 and name HA )) (( segid " " and resid 61 and name HN )) ASSI { 2687} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HN )) 5.700 4.100 0.300 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.12486E-03 ppm1 4.405 ppm2 7.548 CV 1 OR { 2687} (( segid " " and resid 59 and name HA )) (( segid " " and resid 63 and name HN )) ASSI { 2697} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HB1 )) 4.600 2.600 1.400 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.10596E-02 ppm1 4.400 ppm2 2.607 CV 1 OR { 2697} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HB2 )) OR { 2697} (( segid " " and resid 59 and name HA )) (( segid " " and resid 61 and name HB1 )) ASSI { 2702} (( segid " " and resid 59 and name HA )) (( segid " " and resid 58 and name HB )) 4.400 2.400 1.600 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.40889E-03 ppm1 4.403 ppm2 1.675 CV 1 OR { 2702} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HD1 )) OR { 2702} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HD2 )) OR { 2702} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HB1 )) OR { 2702} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 2703} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 61 and name HB1 )) 4.700 2.700 1.300 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.43415E-03 ppm1 1.937 ppm2 2.649 CV 1 OR { 2703} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HB1 )) OR { 2703} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HB2 )) ASSI { 2706} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 61 and name HB1 )) 6.000 4.700 0.000 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.15910E-03 ppm1 2.382 ppm2 2.653 CV 1 OR { 2706} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HB1 )) OR { 2706} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HB2 )) ASSI { 2714} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 62 and name HB1 )) 3.000 1.100 1.100 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.32401E-02 ppm1 3.806 ppm2 2.405 CV 1 OR { 2714} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 62 and name HB2 )) OR { 2714} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB1 )) OR { 2714} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB1 )) OR { 2714} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 62 and name HB2 )) ASSI { 2717} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HB1 )) 3.700 1.700 1.700 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 3.808 ppm2 1.687 CV 1 OR { 2717} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HD1 )) OR { 2717} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HD2 )) OR { 2717} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HB2 )) OR { 2717} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 57 and name HB1 )) OR { 2717} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 58 and name HB )) OR { 2717} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 58 and name HB )) ASSI { 2721} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 47 and name HG1%) 4.100 2.100 1.900 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.80416E-03 ppm1 3.808 ppm2 0.868 CV 1 OR { 2721} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 47 and name HG1%) OR { 2721} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 58 and name HG12)) OR { 2721} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 47 and name HG2%) OR { 2721} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 47 and name HG2%) OR { 2721} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 58 and name HG12)) OR { 2721} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 63 and name HG2%) OR { 2721} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 63 and name HG2%) OR { 2721} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 76 and name HG12)) ASSI { 2741} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 62 and name HN )) 4.200 2.200 1.800 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.66292E-03 ppm1 1.927 ppm2 7.527 CV 1 OR { 2741} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 26 and name HN )) ASSI { 2742} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 62 and name HN )) 5.700 4.100 0.300 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.27471E-03 ppm1 1.991 ppm2 7.511 CV 1 OR { 2742} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 26 and name HN )) ASSI { 2743} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 61 and name HN )) 5.500 3.700 0.500 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.31247E-03 ppm1 1.925 ppm2 8.646 CV 1 OR { 2743} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 60 and name HN )) ASSI { 2746} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HB1 )) 2.600 0.800 0.800 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.57947E-02 ppm1 1.924 ppm2 2.388 CV 1 OR { 2746} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HB1 )) OR { 2746} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 62 and name HB2 )) ASSI { 2747} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HB1 )) 2.400 0.700 0.700 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.56494E-02 ppm1 1.994 ppm2 2.386 CV 1 OR { 2747} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HB1 )) OR { 2747} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 62 and name HB2 )) ASSI { 2765} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HA )) 5.200 3.400 0.800 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.30128E-03 ppm1 4.199 ppm2 3.200 CV 1 OR { 2765} (( segid " " and resid 60 and name HA )) (( segid " " and resid 40 and name H42A)) OR { 2765} (( segid " " and resid 60 and name HA )) (( segid " " and resid 40 and name H42B)) ASSI { 2774} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) 4.100 2.100 1.900 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.88761E-03 ppm1 2.647 ppm2 7.535 CV 1 OR { 2774} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 63 and name HN )) OR { 2774} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 63 and name HN )) OR { 2774} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 63 and name HN )) OR { 2774} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 62 and name HN )) ASSI { 2781} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 4.700 2.700 1.300 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.48053E-03 ppm1 2.642 ppm2 1.932 CV 1 OR { 2781} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 43 and name HB2 )) OR { 2781} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 43 and name HB2 )) OR { 2781} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 59 and name HG2 )) OR { 2781} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 59 and name HB2 )) OR { 2781} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 59 and name HB2 )) ASSI { 2783} (( segid " " and resid 61 and name HA )) (( segid " " and resid 63 and name HB )) 4.900 3.000 1.100 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.34913E-03 ppm1 4.325 ppm2 2.024 CV 1 OR { 2783} (( segid " " and resid 61 and name HA )) (( segid " " and resid 59 and name HG1 )) ASSI { 2799} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HN )) 5.700 4.100 0.300 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.20198E-03 ppm1 4.676 ppm2 8.650 CV 1 OR { 2799} (( segid " " and resid 62 and name HA )) (( segid " " and resid 60 and name HN )) ASSI { 2802} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HA )) 4.000 2.000 2.000 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.53206E-03 ppm1 2.418 ppm2 3.199 CV 1 OR { 2802} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HA )) OR { 2802} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 32 and name HB2 )) OR { 2802} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 32 and name HB1 )) ASSI { 2805} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 58 and name HG11)) 6.000 4.500 0.000 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.89606E-04 ppm1 2.423 ppm2 1.533 CV 1 OR { 2805} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 58 and name HG11)) OR { 2805} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 30 and name HD1 )) ASSI { 2809} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 66 and name HD2%) 4.100 2.100 1.900 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.89803E-03 ppm1 2.421 ppm2 0.576 CV 1 OR { 2809} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 66 and name HD2%) OR { 2809} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 58 and name HD1%) OR { 2809} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 58 and name HD1%) OR { 2809} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 36 and name HD1%) OR { 2809} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 76 and name HD1%) OR { 2809} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 76 and name HD1%) ASSI { 2811} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 63 and name HG2%) 5.200 3.300 0.800 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.22455E-03 ppm1 2.425 ppm2 0.886 CV 1 OR { 2811} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 63 and name HG2%) OR { 2811} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 47 and name HG2%) OR { 2811} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 58 and name HG12)) OR { 2811} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 58 and name HG12)) OR { 2811} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 47 and name HG2%) OR { 2811} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 56 and name HG1%) OR { 2811} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 56 and name HG1%) OR { 2811} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 76 and name HG12)) OR { 2811} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 40 and name H4A )) OR { 2811} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 76 and name HG12)) OR { 2811} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 40 and name H4A )) ASSI { 2812} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HN )) 3.300 1.300 1.300 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.14187E-02 ppm1 3.212 ppm2 7.716 CV 1 OR { 2812} (( segid " " and resid 63 and name HA )) (( segid " " and resid 65 and name HD22)) ASSI { 2819} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HB2 )) 4.000 2.000 2.000 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.51182E-03 ppm1 3.209 ppm2 2.426 CV 1 OR { 2819} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HB1 )) OR { 2819} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H38B)) ASSI { 2820} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H2B )) 4.700 2.800 1.300 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.30627E-03 ppm1 3.211 ppm2 2.252 CV 1 OR { 2820} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H2A )) OR { 2820} (( segid " " and resid 63 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 2820} (( segid " " and resid 63 and name HA )) (( segid " " and resid 43 and name HG2 )) ASSI { 2822} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB )) 2.400 0.700 0.700 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.37244E-02 ppm1 3.211 ppm2 2.023 CV 1 OR { 2822} (( segid " " and resid 63 and name HA )) (( segid " " and resid 76 and name HG11)) ASSI { 2825} (( segid " " and resid 63 and name HA )) (( segid " " and resid 58 and name HB )) 4.500 2.600 1.500 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.51145E-03 ppm1 3.213 ppm2 1.702 CV 1 OR { 2825} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HD2 )) OR { 2825} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HD1 )) ASSI { 2828} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HB2 )) 3.600 1.600 1.600 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.53918E-03 ppm1 3.211 ppm2 0.990 CV 1 OR { 2828} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H5B )) OR { 2828} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H5A )) ASSI { 2829} (( segid " " and resid 63 and name HA )) ( segid " " and resid 63 and name HG2%) 2.300 0.600 0.600 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.62793E-02 ppm1 3.211 ppm2 0.899 CV 1 OR { 2829} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H4A )) OR { 2829} (( segid " " and resid 63 and name HA )) ( segid " " and resid 47 and name HG2%) OR { 2829} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H4B )) ASSI { 2830} (( segid " " and resid 63 and name HA )) ( segid " " and resid 63 and name HG1%) 2.800 1.000 1.000 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.45453E-02 ppm1 3.211 ppm2 0.818 CV 1 OR { 2830} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H4A )) OR { 2830} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H4B )) OR { 2830} (( segid " " and resid 63 and name HA )) (( segid " " and resid 58 and name HG12)) ASSI { 2832} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HA )) 5.700 4.100 0.300 peak 2832 spectrum 1 weight 0.10000E+01 volume 0.19160E-03 ppm1 3.221 ppm2 4.492 CV 1 OR { 2832} (( segid " " and resid 63 and name HA )) (( segid " " and resid 58 and name HA )) OR { 2832} (( segid " " and resid 63 and name HA )) (( segid " " and resid 67 and name HA )) ASSI { 2833} (( segid " " and resid 63 and name HA )) (( segid " " and resid 60 and name HA )) 5.900 4.300 0.100 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.14579E-03 ppm1 3.213 ppm2 4.203 CV 1 OR { 2833} (( segid " " and resid 63 and name HA )) (( segid " " and resid 75 and name HA )) ASSI { 2835} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.40431E-02 ppm1 0.900 ppm2 4.201 CV 1 OR { 2835} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 60 and name HA )) ASSI { 2843} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 61 and name HA )) 4.800 2.800 1.200 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.18879E-03 ppm1 0.820 ppm2 4.306 CV 1 OR { 2843} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 61 and name HA )) ASSI { 2845} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 65 and name HN )) 4.700 2.700 1.300 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.25754E-03 ppm1 0.822 ppm2 7.275 CV 1 OR { 2845} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 44 and name HN )) ASSI { 2848} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HN )) 4.700 2.700 1.300 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.32895E-03 ppm1 0.818 ppm2 7.697 CV 1 OR { 2848} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 52 and name HN )) OR { 2848} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 65 and name HD22)) ASSI { 2856} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 60 and name HB2 )) 4.600 2.600 1.400 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.31331E-03 ppm1 0.821 ppm2 2.630 CV 1 OR { 2856} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 60 and name HB1 )) OR { 2856} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 60 and name HB1 )) OR { 2856} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 60 and name HB2 )) ASSI { 2858} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H38B)) 4.700 2.700 1.300 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.37533E-03 ppm1 0.818 ppm2 2.466 CV 1 OR { 2858} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HB1 )) OR { 2858} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H38A)) OR { 2858} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 62 and name HB1 )) OR { 2858} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 62 and name HB2 )) OR { 2858} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 62 and name HB2 )) ASSI { 2861} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H2A )) 3.000 1.100 1.100 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.15663E-02 ppm1 0.816 ppm2 2.263 CV 1 OR { 2861} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 43 and name HG1 )) OR { 2861} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 43 and name HG2 )) OR { 2861} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H2B )) ASSI { 2867} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 43 and name HE% ) 3.100 1.200 1.200 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.95211E-03 ppm1 0.815 ppm2 1.474 CV 1 OR { 2867} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 50 and name HB% ) OR { 2867} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 67 and name HG2 )) ASSI { 2869} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HG1 )) 5.200 3.300 0.800 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.25770E-03 ppm1 0.818 ppm2 1.386 CV 1 OR { 2869} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 57 and name HG1 )) OR { 2869} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HG2 )) OR { 2869} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 57 and name HG2 )) ASSI { 2875} (( segid " " and resid 64 and name HA )) (( segid " " and resid 66 and name HN )) 3.300 1.400 1.400 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.93384E-03 ppm1 3.976 ppm2 7.716 CV 1 OR { 2875} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HD22)) ASSI { 2881} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 26 and name HN )) 5.100 3.300 0.900 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.37435E-03 ppm1 1.763 ppm2 7.535 CV 1 OR { 2881} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 63 and name HN )) OR { 2881} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 62 and name HN )) ASSI { 2890} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H42B)) 3.700 1.800 1.800 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.13151E-02 ppm1 3.975 ppm2 3.194 CV 1 OR { 2890} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H42A)) OR { 2890} (( segid " " and resid 64 and name HA )) (( segid " " and resid 63 and name HA )) ASSI { 2891} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HB1 )) 5.700 4.000 0.300 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.15549E-03 ppm1 3.973 ppm2 3.068 CV 1 OR { 2891} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HE1 )) OR { 2891} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HE2 )) ASSI { 2904} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 61 and name HA )) 4.600 2.700 1.400 peak 2904 spectrum 1 weight 0.10000E+01 volume 0.84052E-03 ppm1 1.675 ppm2 4.322 CV 1 OR { 2904} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 42 and name HA )) OR { 2904} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 61 and name HA )) ASSI { 2905} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HE1 )) 2.400 0.700 0.700 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.57947E-02 ppm1 1.672 ppm2 2.999 CV 1 OR { 2905} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HE2 )) OR { 2905} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HE1 )) OR { 2905} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HE2 )) OR { 2905} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HE2 )) OR { 2905} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HE1 )) ASSI { 2906} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 63 and name HG1%) 4.300 2.300 1.700 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.93082E-03 ppm1 1.395 ppm2 0.806 CV 1 OR { 2906} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 63 and name HG1%) OR { 2906} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 58 and name HG12)) ASSI { 2907} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 40 and name H38B)) 5.000 3.200 1.000 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.31711E-03 ppm1 1.394 ppm2 2.451 CV 1 OR { 2907} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 40 and name H38B)) OR { 2907} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 51 and name HB1 )) OR { 2907} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 40 and name H38A)) OR { 2907} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 62 and name HB2 )) OR { 2907} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 62 and name HB1 )) OR { 2907} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 40 and name H38A)) OR { 2907} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 62 and name HB2 )) OR { 2907} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 62 and name HB1 )) OR { 2907} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 61 and name HB2 )) ASSI { 2908} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HE1 )) 2.800 1.000 1.000 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.22765E-02 ppm1 1.399 ppm2 2.993 CV 1 OR { 2908} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HE2 )) OR { 2908} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HE2 )) OR { 2908} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HE1 )) OR { 2908} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HE1 )) OR { 2908} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HE2 )) ASSI { 2909} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 63 and name HA )) 5.200 3.400 0.800 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.19734E-03 ppm1 1.412 ppm2 3.214 CV 1 OR { 2909} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 63 and name HA )) OR { 2909} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 40 and name H42B)) ASSI { 2912} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 65 and name HD22)) 4.500 2.600 1.500 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.19314E-03 ppm1 1.400 ppm2 7.745 CV 1 OR { 2912} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 65 and name HD22)) OR { 2912} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 66 and name HN )) ASSI { 2918} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HD21)) 4.400 2.400 1.600 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.62958E-03 ppm1 3.059 ppm2 7.004 CV 1 OR { 2918} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 79 and name HD2 )) ASSI { 2919} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HD22)) 3.900 1.900 1.900 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.18874E-02 ppm1 3.055 ppm2 7.734 CV 1 OR { 2919} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HN )) ASSI { 2922} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 62 and name HA )) 5.500 3.700 0.500 peak 2922 spectrum 1 weight 0.10000E+01 volume 0.23245E-03 ppm1 2.735 ppm2 4.675 CV 1 OR { 2922} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 56 and name HA )) ASSI { 2929} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 72 and name HN )) 3.400 1.500 1.500 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.38957E-03 ppm1 2.158 ppm2 8.199 CV 1 OR { 2929} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 67 and name HN )) ASSI { 2930} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 32 and name HE% ) 5.000 3.100 1.000 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.24169E-03 ppm1 2.171 ppm2 6.990 CV 1 OR { 2930} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 65 and name HD21)) ASSI { 2931} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 32 and name HE% ) 4.800 2.900 1.200 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.36690E-03 ppm1 0.970 ppm2 6.994 CV 1 OR { 2931} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 65 and name HD21)) ASSI { 2933} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HA )) 2.500 0.800 0.800 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.19677E-02 ppm1 2.163 ppm2 4.483 CV 1 OR { 2933} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 71 and name HA )) ASSI { 2936} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.000 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.30188E-02 ppm1 0.973 ppm2 4.487 CV 1 OR { 2936} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HA )) OR { 2936} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 71 and name HA )) ASSI { 2942} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 4.800 2.800 1.200 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.38041E-03 ppm1 0.973 ppm2 3.142 CV 1 OR { 2942} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 75 and name HB1 )) OR { 2942} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 75 and name HB2 )) ASSI { 2947} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 66 and name HD2%) 2.700 0.900 0.900 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.23081E-02 ppm1 2.166 ppm2 0.601 CV 1 OR { 2947} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 40 and name H6% ) ASSI { 2949} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HB2 )) 1.400 0.300 0.800 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.14170E-01 ppm1 2.163 ppm2 0.968 CV 1 OR { 2949} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H5A )) ASSI { 2950} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H4B )) 3.800 1.800 1.800 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.92228E-03 ppm1 2.164 ppm2 0.863 CV 1 OR { 2950} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H4A )) OR { 2950} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 63 and name HG2%) OR { 2950} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 11 and name HD1%) OR { 2950} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 63 and name HG1%) ASSI { 2957} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 72 and name HN )) 4.700 2.800 1.300 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.45675E-03 ppm1 0.412 ppm2 8.196 CV 1 OR { 2957} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 67 and name HN )) ASSI { 2962} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 64 and name HN )) 4.600 2.600 1.400 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.20318E-03 ppm1 0.402 ppm2 7.177 CV 1 OR { 2962} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 32 and name HD% ) OR { 2962} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 54 and name HE% ) ASSI { 2963} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 32 and name HE% ) 4.900 3.000 1.100 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.24307E-03 ppm1 0.407 ppm2 6.986 CV 1 OR { 2963} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 79 and name HD2 )) ASSI { 2967} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HA )) 4.100 2.200 1.900 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.13575E-02 ppm1 0.412 ppm2 4.490 CV 1 OR { 2967} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 58 and name HA )) OR { 2967} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 2968} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 75 and name HA )) 5.800 4.200 0.200 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.17485E-03 ppm1 0.412 ppm2 4.217 CV 1 OR { 2968} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 73 and name HB )) ASSI { 2971} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 75 and name HB1 )) 3.300 1.400 1.400 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 0.413 ppm2 3.107 CV 1 OR { 2971} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 2971} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 71 and name HB1 )) ASSI { 2973} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H43B)) 3.700 3.700 2.300 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.16851E-03 ppm1 0.410 ppm2 2.810 CV 1 OR { 2973} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 51 and name HG1 )) OR { 2973} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H43A)) ASSI { 2978} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 76 and name HG11)) 3.800 1.900 1.900 peak 2978 spectrum 1 weight 0.10000E+01 volume 0.71098E-03 ppm1 0.410 ppm2 2.008 CV 1 OR { 2978} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 63 and name HB )) OR { 2978} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 74 and name HB1 )) ASSI { 2980} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 50 and name HB% ) 4.900 3.000 1.100 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.28080E-03 ppm1 0.408 ppm2 1.459 CV 1 OR { 2980} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 67 and name HG2 )) OR { 2980} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 74 and name HG2 )) OR { 2980} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 74 and name HG1 )) ASSI { 2982} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HB2 )) 2.200 0.600 0.600 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.54914E-02 ppm1 0.412 ppm2 0.970 CV 1 OR { 2982} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H5A )) OR { 2982} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H5B )) ASSI { 2985} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H3B )) 5.000 3.100 1.000 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.50081E-03 ppm1 0.409 ppm2 1.088 CV 1 OR { 2985} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 73 and name HG2%) ASSI { 2987} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 66 and name HD2%) 2.300 0.600 0.600 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.96175E-02 ppm1 0.412 ppm2 0.605 CV 1 OR { 2987} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 40 and name H6% ) OR { 2987} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 76 and name HD1%) ASSI { 2988} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 7 and name HG2%) 3.400 1.500 1.500 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.41237E-02 ppm1 0.412 ppm2 0.518 CV 1 OR { 2988} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 76 and name HG2%) OR { 2988} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 7 and name HD1%) ASSI { 2991} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 73 and name HN )) 5.000 3.200 1.000 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.37864E-03 ppm1 0.598 ppm2 8.609 CV 1 OR { 2991} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 68 and name HN )) ASSI { 2992} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 76 and name HN )) 5.100 3.300 0.900 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.34506E-03 ppm1 0.598 ppm2 8.509 CV 1 OR { 2992} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 77 and name HN )) ASSI { 2994} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 72 and name HN )) 3.500 1.600 1.600 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.14718E-02 ppm1 0.602 ppm2 8.200 CV 1 OR { 2994} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HN )) ASSI { 3002} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 65 and name HD21)) 4.900 3.000 1.100 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.21343E-03 ppm1 0.603 ppm2 6.999 CV 1 OR { 3002} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 79 and name HD2 )) OR { 3002} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 32 and name HE% ) ASSI { 3009} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.300 0.700 0.700 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.55311E-02 ppm1 0.602 ppm2 3.111 CV 1 OR { 3009} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HB1 )) OR { 3009} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 71 and name HB1 )) ASSI { 3016} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 76 and name HG11)) 4.800 2.900 1.200 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.30602E-03 ppm1 0.601 ppm2 2.041 CV 1 OR { 3016} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HB1 )) OR { 3016} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HB2 )) ASSI { 3019} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 74 and name HG1 )) 5.600 4.000 0.400 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.12890E-03 ppm1 0.597 ppm2 1.479 CV 1 OR { 3019} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 74 and name HG2 )) OR { 3019} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HG2 )) OR { 3019} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 50 and name HB% ) ASSI { 3020} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 74 and name HG1 )) 4.600 2.700 1.400 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.31994E-03 ppm1 0.596 ppm2 1.418 CV 1 OR { 3020} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 74 and name HG2 )) OR { 3020} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HG2 )) ASSI { 3022} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HB2 )) 3.500 1.500 1.500 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 0.600 ppm2 0.958 CV 1 OR { 3022} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 76 and name HG12)) OR { 3022} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 40 and name H5A )) ASSI { 3023} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 7 and name HD1%) 3.600 3.600 2.400 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.33418E-02 ppm1 0.601 ppm2 0.480 CV 1 OR { 3023} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 69 and name HG1%) ASSI { 3032} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG11)) 2.900 1.100 1.100 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.15387E-02 ppm1 4.486 ppm2 1.574 CV 1 OR { 3032} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 3033} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HD1 )) 3.700 1.700 1.700 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.22843E-02 ppm1 4.484 ppm2 1.770 CV 1 OR { 3033} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HD2 )) OR { 3033} (( segid " " and resid 58 and name HA )) (( segid " " and resid 66 and name HG )) ASSI { 3037} (( segid " " and resid 67 and name HA )) (( segid " " and resid 32 and name HB2 )) 3.400 1.500 1.500 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.93178E-03 ppm1 4.494 ppm2 3.175 CV 1 OR { 3037} (( segid " " and resid 67 and name HA )) (( segid " " and resid 40 and name H42B)) OR { 3037} (( segid " " and resid 58 and name HA )) (( segid " " and resid 63 and name HA )) OR { 3037} (( segid " " and resid 58 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 3042} (( segid " " and resid 67 and name HA )) ( segid " " and resid 32 and name HD% ) 3.400 1.500 1.500 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.96577E-03 ppm1 4.483 ppm2 7.194 CV 1 OR { 3042} (( segid " " and resid 58 and name HA )) (( segid " " and resid 64 and name HN )) ASSI { 3045} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HN )) 5.700 4.100 0.300 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.89104E-04 ppm1 4.496 ppm2 7.732 CV 1 OR { 3045} (( segid " " and resid 58 and name HA )) (( segid " " and resid 66 and name HN )) ASSI { 3051} (( segid " " and resid 67 and name HE2 )) ( segid " " and resid 68 and name HG2%) 3.500 1.500 1.500 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.28345E-03 ppm1 3.104 ppm2 1.061 CV 1 OR { 3051} (( segid " " and resid 67 and name HE1 )) ( segid " " and resid 68 and name HG2%) OR { 3051} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 14 and name HG2%) ASSI { 3052} (( segid " " and resid 39 and name HB1 )) ( segid " " and resid 41 and name HD2%) 4.900 3.000 1.100 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.40670E-03 ppm1 3.108 ppm2 1.015 CV 1 OR { 3052} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 68 and name HG2%) OR { 3052} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 40 and name H5A )) OR { 3052} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 40 and name H5B )) ASSI { 3053} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) 3.800 1.800 1.800 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.19446E-02 ppm1 1.769 ppm2 4.486 CV 1 OR { 3053} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) OR { 3053} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 71 and name HA )) ASSI { 3054} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HB1 )) 2.700 0.900 0.900 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.34454E-02 ppm1 1.767 ppm2 2.053 CV 1 OR { 3054} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB1 )) OR { 3054} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB2 )) OR { 3054} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB2 )) OR { 3054} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB1 )) ASSI { 3059} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 65 and name HA )) 4.400 2.400 1.600 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.28483E-03 ppm1 1.763 ppm2 4.884 CV 1 OR { 3059} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 31 and name HA )) OR { 3059} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 31 and name HA )) ASSI { 3060} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HA )) 3.600 1.700 1.700 peak 3060 spectrum 1 weight 0.10000E+01 volume 0.15668E-02 ppm1 1.578 ppm2 4.482 CV 1 OR { 3060} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 66 and name HA )) ASSI { 3061} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) 3.500 1.500 1.500 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.17005E-02 ppm1 1.464 ppm2 4.483 CV 1 OR { 3061} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 66 and name HA )) ASSI { 3094} (( segid " " and resid 68 and name HB )) (( segid " " and resid 31 and name HB2 )) 5.800 4.200 0.200 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.18425E-03 ppm1 4.354 ppm2 3.825 CV 1 OR { 3094} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HA2 )) ASSI { 3099} (( segid " " and resid 68 and name HA )) (( segid " " and resid 31 and name HB1 )) 3.900 1.900 1.900 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.14635E-02 ppm1 5.248 ppm2 4.102 CV 1 OR { 3099} (( segid " " and resid 68 and name HA )) (( segid " " and resid 32 and name HA )) ASSI { 3102} (( segid " " and resid 68 and name HA )) (( segid " " and resid 32 and name HB2 )) 3.900 1.900 1.900 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.58093E-03 ppm1 5.247 ppm2 3.151 CV 1 OR { 3102} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HB1 )) ASSI { 3105} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB )) 4.000 2.000 2.000 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.88647E-03 ppm1 5.249 ppm2 2.269 CV 1 OR { 3105} (( segid " " and resid 68 and name HA )) (( segid " " and resid 40 and name H2B )) ASSI { 3107} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.400 1.400 1.400 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.79265E-03 ppm1 5.246 ppm2 2.053 CV 1 OR { 3107} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HB1 )) OR { 3107} (( segid " " and resid 68 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 3108} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HD2 )) 5.300 3.500 0.700 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.10656E-03 ppm1 5.254 ppm2 1.755 CV 1 OR { 3108} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HD1 )) OR { 3108} (( segid " " and resid 68 and name HA )) (( segid " " and resid 28 and name HG )) OR { 3108} (( segid " " and resid 68 and name HA )) (( segid " " and resid 28 and name HB1 )) ASSI { 3109} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HG1 )) 4.100 2.100 1.900 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.34952E-03 ppm1 5.244 ppm2 1.578 CV 1 OR { 3109} (( segid " " and resid 68 and name HA )) ( segid " " and resid 72 and name HB% ) ASSI { 3110} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HG2 )) 4.600 2.700 1.400 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.23533E-03 ppm1 5.239 ppm2 1.476 CV 1 OR { 3110} (( segid " " and resid 68 and name HA )) (( segid " " and resid 36 and name HG )) OR { 3110} (( segid " " and resid 68 and name HA )) (( segid " " and resid 28 and name HB2 )) ASSI { 3113} (( segid " " and resid 68 and name HA )) ( segid " " and resid 36 and name HD1%) 4.700 2.800 1.300 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.33021E-03 ppm1 5.249 ppm2 0.607 CV 1 OR { 3113} (( segid " " and resid 68 and name HA )) ( segid " " and resid 69 and name HG2%) ASSI { 3119} (( segid " " and resid 68 and name HB )) (( segid " " and resid 28 and name HG )) 4.400 2.400 1.600 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.56732E-03 ppm1 4.341 ppm2 1.769 CV 1 OR { 3119} (( segid " " and resid 68 and name HB )) (( segid " " and resid 28 and name HB1 )) OR { 3119} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HD2 )) OR { 3119} (( segid " " and resid 68 and name HB )) (( segid " " and resid 66 and name HG )) ASSI { 3120} (( segid " " and resid 68 and name HB )) ( segid " " and resid 72 and name HB% ) 5.400 3.700 0.600 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.12409E-03 ppm1 4.358 ppm2 1.561 CV 1 OR { 3120} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HG1 )) OR { 3120} (( segid " " and resid 68 and name HB )) (( segid " " and resid 27 and name HB2 )) ASSI { 3122} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HB2 )) 4.000 2.000 2.000 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.60642E-03 ppm1 4.355 ppm2 2.067 CV 1 OR { 3122} (( segid " " and resid 68 and name HB )) (( segid " " and resid 30 and name HB1 )) ASSI { 3130} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 2.900 1.100 1.100 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.36498E-02 ppm1 1.062 ppm2 8.598 CV 1 OR { 3130} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 73 and name HN )) ASSI { 3132} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 32 and name HN )) 4.200 2.300 1.800 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.16083E-02 ppm1 1.063 ppm2 8.219 CV 1 OR { 3132} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) ASSI { 3133} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HN )) 3.700 1.700 1.700 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.20364E-02 ppm1 1.062 ppm2 8.141 CV 1 OR { 3133} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 72 and name HN )) ASSI { 3138} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HB1 )) 4.000 2.000 2.000 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.91360E-03 ppm1 1.064 ppm2 3.113 CV 1 OR { 3138} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HE1 )) OR { 3138} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 75 and name HB1 )) OR { 3138} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 71 and name HB1 )) OR { 3138} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 75 and name HB2 )) ASSI { 3139} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 34 and name HB1 )) 3.500 1.500 1.500 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.40243E-03 ppm1 1.065 ppm2 2.784 CV 1 OR { 3139} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 29 and name HB1 )) OR { 3139} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 54 and name HB2 )) ASSI { 3142} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 69 and name HG1%) 4.200 2.200 1.800 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.33989E-03 ppm1 1.060 ppm2 0.427 CV 1 OR { 3142} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 69 and name HG1%) OR { 3142} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 66 and name HD1%) OR { 3142} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 66 and name HD1%) ASSI { 3148} (( segid " " and resid 69 and name HB )) ( segid " " and resid 69 and name HG1%) 2.100 0.600 0.600 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.71372E-02 ppm1 2.278 ppm2 0.441 CV 1 OR { 3148} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 66 and name HD1%) ASSI { 3149} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HG2%) 2.300 0.700 0.700 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.67480E-02 ppm1 3.387 ppm2 0.645 CV 1 OR { 3149} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HG1%) OR { 3149} (( segid " " and resid 69 and name HA )) ( segid " " and resid 36 and name HD1%) ASSI { 3150} (( segid " " and resid 69 and name HA )) ( segid " " and resid 11 and name HD1%) 3.400 1.500 1.500 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.15672E-02 ppm1 3.386 ppm2 0.850 CV 1 OR { 3150} (( segid " " and resid 69 and name HA )) (( segid " " and resid 40 and name H4B )) OR { 3150} (( segid " " and resid 46 and name HA )) ( segid " " and resid 11 and name HD2%) OR { 3150} (( segid " " and resid 69 and name HA )) (( segid " " and resid 40 and name H4A )) OR { 3150} (( segid " " and resid 69 and name HA )) ( segid " " and resid 11 and name HD2%) OR { 3150} (( segid " " and resid 46 and name HA )) ( segid " " and resid 47 and name HG1%) OR { 3150} (( segid " " and resid 69 and name HA )) ( segid " " and resid 28 and name HD1%) ASSI { 3151} (( segid " " and resid 69 and name HA )) (( segid " " and resid 28 and name HB1 )) 5.400 3.700 0.600 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.19229E-03 ppm1 3.381 ppm2 1.773 CV 1 OR { 3151} (( segid " " and resid 69 and name HA )) (( segid " " and resid 28 and name HG )) OR { 3151} (( segid " " and resid 69 and name HA )) (( segid " " and resid 66 and name HG )) OR { 3151} (( segid " " and resid 69 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 3152} (( segid " " and resid 69 and name HA )) ( segid " " and resid 72 and name HB% ) 2.500 0.800 0.800 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.35027E-02 ppm1 3.386 ppm2 1.589 CV 1 OR { 3152} (( segid " " and resid 46 and name HA )) (( segid " " and resid 18 and name HB )) ASSI { 3153} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 26 and name HG2%) 3.200 1.200 1.200 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.21679E-02 ppm1 0.442 ppm2 0.918 CV 1 OR { 3153} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 8 and name HG1%) OR { 3153} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 28 and name HD2%) ASSI { 3154} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 8 and name HG1%) 3.100 1.200 1.200 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 0.443 ppm2 0.857 CV 1 OR { 3154} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 11 and name HD1%) OR { 3154} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 28 and name HD1%) ASSI { 3156} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 69 and name HG2%) 2.000 0.500 0.500 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.17797E-01 ppm1 0.443 ppm2 0.638 CV 1 OR { 3156} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 36 and name HD1%) ASSI { 3157} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HG )) 4.300 2.300 1.700 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.77223E-03 ppm1 0.442 ppm2 1.796 CV 1 OR { 3157} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 7 and name HB )) OR { 3157} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 76 and name HB )) ASSI { 3158} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HB1 )) 4.400 2.400 1.600 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.59486E-03 ppm1 0.444 ppm2 1.758 CV 1 OR { 3158} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HG )) OR { 3158} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 7 and name HB )) ASSI { 3159} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 12 and name HB% ) 4.300 2.300 1.700 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.46884E-03 ppm1 0.441 ppm2 1.695 CV 1 OR { 3159} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HB1 )) ASSI { 3160} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.15009E-02 ppm1 0.443 ppm2 1.585 CV 1 OR { 3160} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 72 and name HB% ) OR { 3160} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 7 and name HG11)) ASSI { 3161} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 36 and name HG )) 3.900 1.900 1.900 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.10685E-02 ppm1 0.444 ppm2 1.477 CV 1 OR { 3161} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HB2 )) ASSI { 3165} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 8 and name HG2%) 3.600 1.600 1.600 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.37835E-03 ppm1 0.440 ppm2 1.065 CV 1 OR { 3165} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 73 and name HG2%) ASSI { 3168} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HB )) 2.800 0.900 0.900 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.15908E-02 ppm1 0.656 ppm2 2.108 CV 1 OR { 3168} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HB1 )) ASSI { 3169} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 43 and name HB1 )) 3.600 1.600 1.600 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.10537E-02 ppm1 0.654 ppm2 2.053 CV 1 OR { 3169} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 30 and name HB1 )) ASSI { 3170} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HG11)) 4.000 2.000 2.000 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.82969E-03 ppm1 0.655 ppm2 2.014 CV 1 OR { 3170} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HG )) OR { 3170} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 43 and name HB1 )) OR { 3170} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 30 and name HB1 )) ASSI { 3171} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HB1 )) 4.300 2.400 1.700 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.10453E-02 ppm1 0.652 ppm2 1.747 CV 1 OR { 3171} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 7 and name HB )) OR { 3171} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HG )) OR { 3171} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 76 and name HB )) ASSI { 3173} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 11 and name HD2%) 2.200 0.600 0.600 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.10067E-01 ppm1 0.659 ppm2 0.852 CV 1 OR { 3173} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 11 and name HD1%) OR { 3173} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 11 and name HD1%) OR { 3173} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 40 and name H4A )) OR { 3173} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 28 and name HD1%) OR { 3173} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 40 and name H4B )) ASSI { 3175} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB )) 2.600 0.900 0.900 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.26981E-02 ppm1 3.395 ppm2 2.279 CV 1 OR { 3175} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB )) OR { 3175} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HB1 )) OR { 3175} (( segid " " and resid 69 and name HA )) (( segid " " and resid 40 and name H2B )) ASSI { 3176} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 69 and name HB )) 1.900 0.400 0.400 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.14420E-01 ppm1 0.660 ppm2 2.283 CV 1 OR { 3176} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HB )) OR { 3176} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 43 and name HG1 )) ASSI { 3177} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 71 and name HB1 )) 4.700 2.700 1.300 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.24442E-03 ppm1 0.442 ppm2 3.156 CV 1 OR { 3177} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 75 and name HB1 )) ASSI { 3178} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 71 and name HB1 )) 6.000 4.900 0.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.79790E-04 ppm1 0.443 ppm2 3.108 CV 1 OR { 3178} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 75 and name HB1 )) OR { 3178} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 75 and name HB2 )) ASSI { 3179} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 35 and name HB1 )) 4.700 2.700 1.300 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.15842E-03 ppm1 0.443 ppm2 3.044 CV 1 OR { 3179} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 27 and name HE2 )) OR { 3179} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 74 and name HE2 )) OR { 3179} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 74 and name HE1 )) ASSI { 3183} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 73 and name HA )) 4.700 2.700 1.300 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.47112E-03 ppm1 0.445 ppm2 3.659 CV 1 OR { 3183} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 4 and name HA )) ASSI { 3184} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 26 and name HA )) 2.900 1.100 1.100 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.23011E-02 ppm1 0.444 ppm2 3.569 CV 1 OR { 3184} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HA )) ASSI { 3186} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HA )) 2.600 0.800 0.800 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.57851E-02 ppm1 0.651 ppm2 3.584 CV 1 OR { 3186} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 26 and name HA )) OR { 3186} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 15 and name HA )) ASSI { 3187} (( segid " " and resid 69 and name HB )) (( segid " " and resid 28 and name HA )) 1.900 0.500 0.500 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.73098E-02 ppm1 2.274 ppm2 3.584 CV 1 OR { 3187} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) OR { 3187} (( segid " " and resid 69 and name HB )) (( segid " " and resid 26 and name HA )) OR { 3187} (( segid " " and resid 46 and name HB )) (( segid " " and resid 15 and name HA )) ASSI { 3188} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HB1 )) 5.400 3.600 0.600 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.25467E-03 ppm1 2.268 ppm2 3.072 CV 1 OR { 3188} (( segid " " and resid 69 and name HB )) (( segid " " and resid 71 and name HB1 )) OR { 3188} (( segid " " and resid 69 and name HB )) (( segid " " and resid 74 and name HE2 )) OR { 3188} (( segid " " and resid 69 and name HB )) (( segid " " and resid 74 and name HE1 )) ASSI { 3189} (( segid " " and resid 69 and name HA )) (( segid " " and resid 71 and name HB1 )) 5.000 3.100 1.000 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.13493E-03 ppm1 3.384 ppm2 3.105 CV 1 OR { 3189} (( segid " " and resid 69 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 3190} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name HA )) 4.300 2.300 1.700 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.68138E-03 ppm1 3.385 ppm2 3.661 CV 1 OR { 3190} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name HB2 )) ASSI { 3191} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HA2 )) 4.200 2.200 1.800 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.25919E-03 ppm1 3.384 ppm2 3.819 CV 1 OR { 3191} (( segid " " and resid 46 and name HA )) (( segid " " and resid 14 and name HA )) ASSI { 3197} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 29 and name HA )) 6.000 4.400 0.000 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.12817E-03 ppm1 0.443 ppm2 4.499 CV 1 OR { 3197} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 71 and name HA )) OR { 3197} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 66 and name HA )) ASSI { 3200} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 32 and name HA )) 3.900 1.900 1.900 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.77515E-03 ppm1 0.444 ppm2 4.077 CV 1 OR { 3200} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 72 and name HA )) ASSI { 3201} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HB )) 4.300 2.400 1.700 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.79772E-03 ppm1 0.652 ppm2 4.192 CV 1 OR { 3201} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 60 and name HA )) OR { 3201} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 51 and name HA )) ASSI { 3207} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 30 and name HN )) 4.000 2.000 2.000 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.39784E-03 ppm1 0.649 ppm2 7.507 CV 1 OR { 3207} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 54 and name HD% ) ASSI { 3213} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 32 and name HZ )) 3.200 1.300 1.300 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.20123E-02 ppm1 0.443 ppm2 6.850 CV 1 OR { 3213} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 4 and name HE21)) ASSI { 3219} (( segid " " and resid 69 and name HA )) (( segid " " and resid 71 and name HN )) 4.000 2.000 2.000 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.34664E-03 ppm1 3.386 ppm2 8.352 CV 1 OR { 3219} (( segid " " and resid 46 and name HA )) (( segid " " and resid 43 and name HN )) OR { 3219} (( segid " " and resid 69 and name HA )) (( segid " " and resid 29 and name HN )) OR { 3219} (( segid " " and resid 69 and name HA )) (( segid " " and resid 8 and name HN )) ASSI { 3222} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name HN )) 3.700 1.700 1.700 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.47162E-03 ppm1 3.384 ppm2 8.638 CV 1 OR { 3222} (( segid " " and resid 69 and name HA )) (( segid " " and resid 68 and name HN )) ASSI { 3224} (( segid " " and resid 69 and name HB )) (( segid " " and resid 30 and name HN )) 3.400 1.500 1.500 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.74204E-03 ppm1 2.281 ppm2 7.495 CV 1 OR { 3224} (( segid " " and resid 15 and name HB )) (( segid " " and resid 26 and name HN )) OR { 3224} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 62 and name HN )) OR { 3224} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 62 and name HN )) ASSI { 3228} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 11 and name HN )) 4.900 3.000 1.100 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.63460E-04 ppm1 0.448 ppm2 9.198 CV 1 OR { 3228} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 4 and name HN )) ASSI { 3229} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 29 and name HN )) 5.300 3.400 0.700 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.25241E-03 ppm1 0.442 ppm2 8.357 CV 1 OR { 3229} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 71 and name HN )) OR { 3229} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 8 and name HN )) ASSI { 3233} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HN )) 4.300 2.300 1.700 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.68942E-03 ppm1 0.648 ppm2 8.643 CV 1 OR { 3233} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 68 and name HN )) OR { 3233} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 60 and name HN )) ASSI { 3234} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HN )) 4.500 2.500 1.500 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.36675E-03 ppm1 0.654 ppm2 8.474 CV 1 OR { 3234} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 19 and name HN )) ASSI { 3235} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 71 and name HN )) 4.700 2.700 1.300 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.50570E-03 ppm1 0.652 ppm2 8.374 CV 1 OR { 3235} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 29 and name HN )) OR { 3235} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 43 and name HN )) OR { 3235} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 10 and name HN )) ASSI { 3236} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.20431E-03 ppm1 0.646 ppm2 8.919 CV 1 OR { 3236} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 12 and name HN )) ASSI { 3238} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 71 and name HA )) 4.400 2.500 1.600 peak 3238 spectrum 1 weight 0.10000E+01 volume 0.25830E-03 ppm1 4.017 ppm2 4.493 CV 1 OR { 3238} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 29 and name HA )) OR { 3238} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 66 and name HA )) ASSI { 3239} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 71 and name HA )) 5.800 4.300 0.200 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.69024E-04 ppm1 3.810 ppm2 4.491 CV 1 OR { 3239} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 66 and name HA )) ASSI { 3246} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 73 and name HA )) 3.800 1.800 1.800 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 3.794 ppm2 3.656 CV 1 OR { 3246} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 4 and name HA )) ASSI { 3250} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 69 and name HB )) 4.800 2.900 1.200 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.38853E-03 ppm1 3.799 ppm2 2.280 CV 1 OR { 3250} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 4 and name HG1 )) ASSI { 3252} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 28 and name HB1 )) 4.600 2.600 1.400 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.58335E-03 ppm1 3.800 ppm2 1.749 CV 1 OR { 3252} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 28 and name HG )) OR { 3252} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 7 and name HB )) ASSI { 3255} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 73 and name HG2%) 4.900 3.100 1.100 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.59176E-03 ppm1 4.008 ppm2 1.092 CV 1 OR { 3255} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 8 and name HG2%) OR { 3255} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 68 and name HG2%) ASSI { 3259} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 69 and name HG2%) 3.900 1.900 1.900 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.63063E-03 ppm1 4.018 ppm2 0.637 CV 1 OR { 3259} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 66 and name HD2%) OR { 3259} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 76 and name HD1%) OR { 3259} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 40 and name H6% ) ASSI { 3262} (( segid " " and resid 70 and name HA2 )) ( segid " " and resid 69 and name HG2%) 3.800 1.800 1.800 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.64561E-03 ppm1 3.790 ppm2 0.636 CV 1 OR { 3262} (( segid " " and resid 70 and name HA2 )) ( segid " " and resid 66 and name HD2%) OR { 3262} (( segid " " and resid 70 and name HA2 )) ( segid " " and resid 76 and name HD1%) OR { 3262} (( segid " " and resid 70 and name HA2 )) ( segid " " and resid 40 and name H6% ) ASSI { 3267} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 73 and name HN )) 4.500 2.600 1.500 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.57865E-03 ppm1 4.008 ppm2 8.647 CV 1 OR { 3267} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 68 and name HN )) ASSI { 3270} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 69 and name HN )) 5.000 3.100 1.000 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.29606E-03 ppm1 4.016 ppm2 8.144 CV 1 OR { 3270} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 72 and name HN )) ASSI { 3274} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 72 and name HN )) 4.700 2.700 1.300 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.36359E-03 ppm1 3.799 ppm2 8.176 CV 1 OR { 3274} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 69 and name HN )) ASSI { 3279} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 3279 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 2.927 ppm2 8.600 CV 1 OR { 3279} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 73 and name HN )) ASSI { 3281} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.200 1.300 1.300 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.28716E-02 ppm1 2.926 ppm2 8.195 CV 1 OR { 3281} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 67 and name HN )) ASSI { 3282} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 3282 spectrum 1 weight 0.10000E+01 volume 0.25652E-02 ppm1 3.120 ppm2 8.599 CV 1 OR { 3282} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 73 and name HN )) ASSI { 3283} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.300 1.400 1.400 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.16409E-02 ppm1 4.508 ppm2 8.179 CV 1 OR { 3283} (( segid " " and resid 71 and name HA )) (( segid " " and resid 69 and name HN )) ASSI { 3286} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 66 and name HA )) 2.100 0.500 0.500 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.46386E-02 ppm1 3.119 ppm2 4.494 CV 1 OR { 3286} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HA )) ASSI { 3287} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 2.500 0.800 0.800 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.66502E-02 ppm1 2.926 ppm2 4.496 CV 1 OR { 3287} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 66 and name HA )) ASSI { 3288} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.700 0.900 0.900 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 4.506 ppm2 3.119 CV 1 OR { 3288} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 3292} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 67 and name HB2 )) 4.100 2.100 1.900 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.49652E-03 ppm1 3.119 ppm2 2.055 CV 1 OR { 3292} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 23 and name HB )) OR { 3292} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 67 and name HB1 )) OR { 3292} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 43 and name HB1 )) OR { 3292} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 14 and name HB )) ASSI { 3293} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 67 and name HB2 )) 4.200 2.200 1.800 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.16777E-03 ppm1 2.919 ppm2 2.043 CV 1 OR { 3293} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 67 and name HB1 )) OR { 3293} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 76 and name HG11)) ASSI { 3294} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 66 and name HG )) 5.900 4.400 0.100 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.17656E-03 ppm1 2.924 ppm2 1.764 CV 1 OR { 3294} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 74 and name HD1 )) ASSI { 3297} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 41 and name HB2 )) 4.100 2.100 1.900 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.54247E-03 ppm1 3.120 ppm2 1.597 CV 1 OR { 3297} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 72 and name HB% ) OR { 3297} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 21 and name HB )) ASSI { 3299} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 66 and name HD2%) 3.100 1.200 1.200 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.16222E-02 ppm1 3.121 ppm2 0.602 CV 1 OR { 3299} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 40 and name H6% ) ASSI { 3301} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 66 and name HB2 )) 6.000 6.000 0.000 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.13066E-03 ppm1 2.929 ppm2 0.956 CV 1 OR { 3301} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 63 and name HG2%) ASSI { 3302} (( segid " " and resid 71 and name HA )) ( segid " " and resid 66 and name HD2%) 3.500 1.500 1.500 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.12014E-02 ppm1 4.503 ppm2 0.595 CV 1 OR { 3302} (( segid " " and resid 71 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 3306} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 76 and name HN )) 4.400 2.400 1.600 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.41223E-03 ppm1 1.593 ppm2 8.528 CV 1 OR { 3306} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 77 and name HN )) ASSI { 3313} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 75 and name HD% ) 3.100 1.200 1.200 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.33792E-02 ppm1 1.591 ppm2 6.850 CV 1 OR { 3313} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 32 and name HZ )) ASSI { 3316} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) 3.500 1.500 1.500 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.69280E-03 ppm1 4.116 ppm2 8.517 CV 1 OR { 3316} (( segid " " and resid 72 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 3322} (( segid " " and resid 72 and name HA )) (( segid " " and resid 66 and name HN )) 5.900 4.400 0.100 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.26343E-04 ppm1 4.115 ppm2 7.706 CV 1 OR { 3322} (( segid " " and resid 72 and name HA )) (( segid " " and resid 79 and name HN )) OR { 3322} (( segid " " and resid 72 and name HA )) (( segid " " and resid 80 and name HE22)) ASSI { 3324} (( segid " " and resid 72 and name HA )) ( segid " " and resid 32 and name HE% ) 5.200 3.400 0.800 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.24017E-03 ppm1 4.122 ppm2 6.987 CV 1 OR { 3324} (( segid " " and resid 72 and name HA )) (( segid " " and resid 79 and name HD2 )) ASSI { 3325} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 66 and name HA )) 3.800 1.800 1.800 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.69700E-03 ppm1 1.589 ppm2 4.484 CV 1 OR { 3325} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 71 and name HA )) OR { 3325} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 58 and name HA )) ASSI { 3328} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 73 and name HB )) 4.100 2.100 1.900 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.86368E-03 ppm1 1.592 ppm2 4.225 CV 1 OR { 3328} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 75 and name HA )) ASSI { 3331} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 69 and name HA )) 2.600 0.800 0.800 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.25021E-02 ppm1 1.591 ppm2 3.383 CV 1 OR { 3331} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 8 and name HA )) ASSI { 3332} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 71 and name HB1 )) 4.000 2.000 2.000 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.89762E-03 ppm1 1.593 ppm2 3.123 CV 1 OR { 3332} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 75 and name HB1 )) OR { 3332} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 75 and name HB2 )) ASSI { 3337} (( segid " " and resid 72 and name HA )) (( segid " " and resid 69 and name HA )) 5.000 3.200 1.000 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.17739E-03 ppm1 4.110 ppm2 3.370 CV 1 OR { 3337} (( segid " " and resid 72 and name HA )) (( segid " " and resid 8 and name HA )) ASSI { 3339} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HG11)) 3.800 1.800 1.800 peak 3339 spectrum 1 weight 0.10000E+01 volume 0.31365E-03 ppm1 4.114 ppm2 1.995 CV 1 OR { 3339} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HB1 )) OR { 3339} (( segid " " and resid 72 and name HA )) (( segid " " and resid 11 and name HG )) ASSI { 3340} (( segid " " and resid 72 and name HA )) (( segid " " and resid 66 and name HG )) 4.400 2.400 1.600 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.78488E-03 ppm1 4.118 ppm2 1.787 CV 1 OR { 3340} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 3341} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H2B )) 3.900 1.900 1.900 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.70545E-03 ppm1 1.593 ppm2 2.265 CV 1 OR { 3341} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 69 and name HB )) ASSI { 3344} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 76 and name HG11)) 3.900 1.900 1.900 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.57390E-03 ppm1 1.590 ppm2 2.016 CV 1 OR { 3344} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 11 and name HG )) OR { 3344} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 74 and name HB1 )) ASSI { 3345} (( segid " " and resid 72 and name HA )) (( segid " " and resid 66 and name HB2 )) 3.700 1.700 1.700 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.16842E-02 ppm1 4.115 ppm2 0.964 CV 1 OR { 3345} (( segid " " and resid 72 and name HA )) (( segid " " and resid 40 and name H5A )) OR { 3345} (( segid " " and resid 72 and name HA )) (( segid " " and resid 40 and name H5B )) ASSI { 3346} (( segid " " and resid 72 and name HA )) (( segid " " and resid 40 and name H4B )) 4.200 2.200 1.800 peak 3346 spectrum 1 weight 0.10000E+01 volume 0.88620E-03 ppm1 4.119 ppm2 0.865 CV 1 OR { 3346} (( segid " " and resid 72 and name HA )) ( segid " " and resid 11 and name HD1%) OR { 3346} (( segid " " and resid 72 and name HA )) (( segid " " and resid 40 and name H4A )) OR { 3346} (( segid " " and resid 72 and name HA )) (( segid " " and resid 58 and name HG12)) OR { 3346} (( segid " " and resid 72 and name HA )) ( segid " " and resid 63 and name HG2%) OR { 3346} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HG12)) ASSI { 3348} (( segid " " and resid 72 and name HA )) ( segid " " and resid 66 and name HD2%) 2.200 0.600 0.600 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.55193E-02 ppm1 4.114 ppm2 0.601 CV 1 OR { 3348} (( segid " " and resid 72 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 3348} (( segid " " and resid 72 and name HA )) ( segid " " and resid 40 and name H6% ) ASSI { 3361} (( segid " " and resid 73 and name HA )) (( segid " " and resid 8 and name HN )) 5.100 3.200 0.900 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.36406E-03 ppm1 3.685 ppm2 8.384 CV 1 OR { 3361} (( segid " " and resid 73 and name HA )) (( segid " " and resid 7 and name HN )) OR { 3361} (( segid " " and resid 73 and name HA )) (( segid " " and resid 71 and name HN )) ASSI { 3373} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB )) 2.700 0.900 0.900 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.26291E-02 ppm1 3.678 ppm2 1.777 CV 1 OR { 3373} (( segid " " and resid 73 and name HA )) (( segid " " and resid 7 and name HB )) OR { 3373} (( segid " " and resid 73 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 3375} (( segid " " and resid 73 and name HA )) ( segid " " and resid 11 and name HD1%) 3.500 1.500 1.500 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.20445E-02 ppm1 3.676 ppm2 0.851 CV 1 OR { 3375} (( segid " " and resid 73 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 3375} (( segid " " and resid 73 and name HA )) ( segid " " and resid 11 and name HD2%) OR { 3375} (( segid " " and resid 73 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 3375} (( segid " " and resid 73 and name HA )) (( segid " " and resid 58 and name HG12)) ASSI { 3376} (( segid " " and resid 73 and name HB )) ( segid " " and resid 28 and name HD1%) 3.800 1.800 1.800 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.21061E-02 ppm1 4.188 ppm2 0.812 CV 1 OR { 3376} (( segid " " and resid 73 and name HB )) ( segid " " and resid 11 and name HD1%) OR { 3376} (( segid " " and resid 73 and name HB )) ( segid " " and resid 77 and name HD1%) ASSI { 3381} (( segid " " and resid 73 and name HB )) ( segid " " and resid 72 and name HB% ) 5.100 3.300 0.900 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.34059E-03 ppm1 4.183 ppm2 1.586 CV 1 OR { 3381} (( segid " " and resid 73 and name HB )) (( segid " " and resid 7 and name HG11)) OR { 3381} (( segid " " and resid 73 and name HB )) ( segid " " and resid 2 and name HB% ) ASSI { 3382} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HG11)) 4.200 2.200 1.800 peak 3382 spectrum 1 weight 0.10000E+01 volume 0.69531E-03 ppm1 3.678 ppm2 1.987 CV 1 OR { 3382} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HB1 )) OR { 3382} (( segid " " and resid 73 and name HA )) (( segid " " and resid 11 and name HG )) ASSI { 3383} (( segid " " and resid 73 and name HA )) ( segid " " and resid 72 and name HB% ) 4.000 2.000 2.000 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.90748E-03 ppm1 3.679 ppm2 1.594 CV 1 OR { 3383} (( segid " " and resid 73 and name HA )) (( segid " " and resid 7 and name HG11)) OR { 3383} (( segid " " and resid 73 and name HA )) ( segid " " and resid 2 and name HB% ) ASSI { 3384} (( segid " " and resid 73 and name HA )) ( segid " " and resid 7 and name HG2%) 2.100 0.500 0.500 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.91867E-02 ppm1 3.678 ppm2 0.562 CV 1 OR { 3384} (( segid " " and resid 73 and name HA )) ( segid " " and resid 7 and name HD1%) OR { 3384} (( segid " " and resid 73 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 3385} (( segid " " and resid 73 and name HB )) ( segid " " and resid 76 and name HD1%) 4.500 2.500 1.500 peak 3385 spectrum 1 weight 0.10000E+01 volume 0.51155E-03 ppm1 4.193 ppm2 0.653 CV 1 OR { 3385} (( segid " " and resid 73 and name HB )) ( segid " " and resid 40 and name H6% ) ASSI { 3386} (( segid " " and resid 73 and name HB )) ( segid " " and resid 7 and name HD1%) 6.000 5.200 0.000 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.84143E-04 ppm1 4.187 ppm2 0.564 CV 1 OR { 3386} (( segid " " and resid 73 and name HB )) ( segid " " and resid 7 and name HG2%) OR { 3386} (( segid " " and resid 73 and name HB )) ( segid " " and resid 76 and name HD1%) OR { 3386} (( segid " " and resid 73 and name HB )) ( segid " " and resid 76 and name HG2%) ASSI { 3393} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 73 and name HB )) 4.400 2.400 1.600 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.33034E-03 ppm1 1.973 ppm2 4.201 CV 1 OR { 3393} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HA )) OR { 3393} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI { 3395} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 71 and name HA )) 3.300 1.400 1.400 peak 3395 spectrum 1 weight 0.10000E+01 volume 0.11202E-02 ppm1 1.979 ppm2 4.502 CV 1 OR { 3395} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 3396} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 71 and name HA )) 3.000 1.100 1.100 peak 3396 spectrum 1 weight 0.10000E+01 volume 0.15720E-02 ppm1 1.905 ppm2 4.504 CV 1 OR { 3396} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 3402} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HD1 )) 2.300 0.700 0.700 peak 3402 spectrum 1 weight 0.10000E+01 volume 0.46998E-02 ppm1 3.943 ppm2 1.769 CV 1 OR { 3402} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 3403} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HD2 )) 3.400 1.500 1.500 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.27470E-02 ppm1 3.943 ppm2 1.673 CV 1 OR { 3403} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HB2 )) OR { 3403} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HG11)) ASSI { 3404} (( segid " " and resid 74 and name HA )) ( segid " " and resid 73 and name HG2%) 3.400 1.400 1.400 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 3.944 ppm2 1.109 CV 1 OR { 3404} (( segid " " and resid 17 and name HA )) ( segid " " and resid 14 and name HG2%) ASSI { 3405} (( segid " " and resid 74 and name HA )) ( segid " " and resid 7 and name HD1%) 4.400 2.400 1.600 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.55622E-03 ppm1 3.936 ppm2 0.533 CV 1 OR { 3405} (( segid " " and resid 74 and name HA )) ( segid " " and resid 7 and name HG2%) OR { 3405} (( segid " " and resid 74 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 3406} (( segid " " and resid 74 and name HA )) ( segid " " and resid 77 and name HD1%) 3.100 1.200 1.200 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.40326E-02 ppm1 3.941 ppm2 0.820 CV 1 OR { 3406} (( segid " " and resid 74 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 3406} (( segid " " and resid 17 and name HA )) ( segid " " and resid 18 and name HD1%) OR { 3406} (( segid " " and resid 74 and name HA )) ( segid " " and resid 28 and name HD1%) ASSI { 3408} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HA )) 4.100 2.100 1.900 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.39616E-03 ppm1 3.934 ppm2 3.664 CV 1 OR { 3408} (( segid " " and resid 74 and name HA )) (( segid " " and resid 4 and name HA )) ASSI { 3410} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HB )) 3.500 1.600 1.600 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.91625E-03 ppm1 3.951 ppm2 4.205 CV 1 OR { 3410} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HA )) ASSI { 3413} (( segid " " and resid 63 and name HB )) (( segid " " and resid 60 and name HN )) 5.500 3.800 0.500 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.16403E-03 ppm1 1.983 ppm2 8.630 CV 1 OR { 3413} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 73 and name HN )) OR { 3413} (( segid " " and resid 63 and name HB )) (( segid " " and resid 61 and name HN )) ASSI { 3414} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HD2 )) 4.500 2.500 1.500 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.85198E-03 ppm1 1.975 ppm2 1.659 CV 1 OR { 3414} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 77 and name HB2 )) OR { 3414} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HB )) OR { 3414} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 57 and name HB1 )) ASSI { 3415} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HD2 )) 4.100 2.100 1.900 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.84043E-03 ppm1 1.911 ppm2 1.660 CV 1 OR { 3415} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HB )) OR { 3415} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 77 and name HB2 )) OR { 3415} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 57 and name HB1 )) ASSI { 3430} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HN )) 5.600 3.900 0.400 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.26258E-03 ppm1 1.666 ppm2 8.043 CV 1 OR { 3430} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 46 and name HN )) OR { 3430} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 40 and name H36A)) OR { 3430} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 40 and name H36A)) ASSI { 3431} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 74 and name HG2 )) 2.200 0.600 0.600 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.12687E-01 ppm1 1.773 ppm2 1.469 CV 1 OR { 3431} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG2 )) OR { 3431} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HG2 )) OR { 3431} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 74 and name HG1 )) ASSI { 3433} (( segid " " and resid 74 and name HD1 )) ( segid " " and resid 7 and name HD1%) 4.700 2.800 1.300 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.28937E-03 ppm1 1.781 ppm2 0.540 CV 1 OR { 3433} (( segid " " and resid 74 and name HD1 )) ( segid " " and resid 7 and name HG2%) OR { 3433} (( segid " " and resid 74 and name HD1 )) ( segid " " and resid 76 and name HG2%) ASSI { 3439} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) 2.800 1.000 1.000 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.19783E-02 ppm1 3.146 ppm2 8.509 CV 1 OR { 3439} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) OR { 3439} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 77 and name HN )) ASSI { 3443} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HN )) 3.300 1.400 1.400 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.14153E-02 ppm1 4.224 ppm2 8.510 CV 1 OR { 3443} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 3445} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 79 and name HN )) 4.800 2.900 1.200 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.31541E-03 ppm1 3.152 ppm2 7.751 CV 1 OR { 3445} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 35 and name HN )) OR { 3445} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 35 and name HN )) OR { 3445} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 80 and name HE22)) ASSI { 3458} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HG11)) 3.800 1.800 1.800 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.48601E-03 ppm1 3.093 ppm2 1.977 CV 1 OR { 3458} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HG11)) OR { 3458} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 74 and name HB1 )) OR { 3458} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 74 and name HB1 )) ASSI { 3459} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB1 )) 3.000 1.100 1.100 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.20295E-02 ppm1 4.223 ppm2 2.531 CV 1 OR { 3459} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HB2 )) ASSI { 3461} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HG11)) 3.900 1.900 1.900 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.61944E-03 ppm1 4.222 ppm2 1.977 CV 1 OR { 3461} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HB1 )) ASSI { 3463} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HB1 )) 4.700 2.700 1.300 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.42966E-03 ppm1 4.225 ppm2 1.780 CV 1 OR { 3463} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HB )) OR { 3463} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HD1 )) OR { 3463} (( segid " " and resid 75 and name HA )) (( segid " " and resid 66 and name HG )) ASSI { 3465} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 66 and name HD2%) 2.600 0.900 0.900 peak 3465 spectrum 1 weight 0.10000E+01 volume 0.30276E-02 ppm1 3.100 ppm2 0.601 CV 1 OR { 3465} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 66 and name HD2%) OR { 3465} (( segid " " and resid 65 and name HB1 )) ( segid " " and resid 66 and name HD2%) OR { 3465} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 76 and name HD1%) OR { 3465} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 76 and name HD1%) ASSI { 3468} (( segid " " and resid 75 and name HA )) ( segid " " and resid 66 and name HD2%) 4.500 2.500 1.500 peak 3468 spectrum 1 weight 0.10000E+01 volume 0.11245E-02 ppm1 4.221 ppm2 0.599 CV 1 OR { 3468} (( segid " " and resid 75 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 3468} (( segid " " and resid 75 and name HA )) ( segid " " and resid 58 and name HD1%) ASSI { 3470} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.500 0.800 0.800 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.39524E-02 ppm1 3.503 ppm2 8.505 CV 1 OR { 3470} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 3471} (( segid " " and resid 76 and name HB )) (( segid " " and resid 75 and name HN )) 4.900 3.000 1.100 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.28603E-03 ppm1 1.778 ppm2 7.943 CV 1 OR { 3471} (( segid " " and resid 7 and name HB )) (( segid " " and resid 75 and name HN )) ASSI { 3472} (( segid " " and resid 76 and name HB )) ( segid " " and resid 75 and name HD% ) 5.200 3.400 0.800 peak 3472 spectrum 1 weight 0.10000E+01 volume 0.25439E-03 ppm1 1.801 ppm2 6.829 CV 1 OR { 3472} (( segid " " and resid 7 and name HB )) (( segid " " and resid 4 and name HE21)) ASSI { 3477} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HN )) 3.600 1.600 1.600 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 3.502 ppm2 7.713 CV 1 OR { 3477} (( segid " " and resid 76 and name HA )) (( segid " " and resid 80 and name HE22)) ASSI { 3482} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HA )) 4.400 2.400 1.600 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.37097E-03 ppm1 3.507 ppm2 3.879 CV 1 OR { 3482} (( segid " " and resid 76 and name HA )) (( segid " " and resid 7 and name HA )) ASSI { 3484} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HB2 )) 3.400 1.400 1.400 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.61862E-03 ppm1 3.514 ppm2 2.547 CV 1 OR { 3484} (( segid " " and resid 76 and name HA )) (( segid " " and resid 80 and name HG2 )) ASSI { 3487} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG11)) 2.500 0.800 0.800 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.40006E-02 ppm1 3.504 ppm2 1.995 CV 1 OR { 3487} (( segid " " and resid 76 and name HA )) (( segid " " and resid 56 and name HB )) ASSI { 3488} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB )) 2.600 0.900 0.900 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.27889E-02 ppm1 3.504 ppm2 1.782 CV 1 OR { 3488} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 3489} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HB2 )) 5.900 4.300 0.100 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.15736E-03 ppm1 3.508 ppm2 1.651 CV 1 OR { 3489} (( segid " " and resid 76 and name HA )) (( segid " " and resid 58 and name HB )) OR { 3489} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HG )) ASSI { 3491} (( segid " " and resid 76 and name HA )) ( segid " " and resid 72 and name HB% ) 5.400 3.700 0.600 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.29313E-03 ppm1 3.507 ppm2 1.585 CV 1 OR { 3491} (( segid " " and resid 76 and name HA )) ( segid " " and resid 2 and name HB% ) OR { 3491} (( segid " " and resid 76 and name HA )) (( segid " " and resid 7 and name HG11)) OR { 3491} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HG )) ASSI { 3492} (( segid " " and resid 76 and name HA )) ( segid " " and resid 56 and name HG1%) 2.200 0.600 0.600 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.67256E-02 ppm1 3.504 ppm2 0.926 CV 1 OR { 3492} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG12)) ASSI { 3494} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HG2%) 2.400 0.700 0.700 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.67832E-02 ppm1 3.504 ppm2 0.534 CV 1 OR { 3494} (( segid " " and resid 76 and name HA )) ( segid " " and resid 58 and name HD1%) OR { 3494} (( segid " " and resid 76 and name HA )) ( segid " " and resid 7 and name HD1%) ASSI { 3495} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HD1%) 3.600 1.600 1.600 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.25487E-02 ppm1 3.503 ppm2 0.614 CV 1 OR { 3495} (( segid " " and resid 76 and name HA )) ( segid " " and resid 58 and name HD1%) ASSI { 3498} (( segid " " and resid 76 and name HB )) ( segid " " and resid 66 and name HD1%) 4.800 2.900 1.200 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.29405E-03 ppm1 1.783 ppm2 0.407 CV 1 OR { 3498} (( segid " " and resid 7 and name HB )) ( segid " " and resid 69 and name HG1%) ASSI { 3506} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 76 and name HG11)) 1.500 0.300 0.700 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.10637E-01 ppm1 0.914 ppm2 1.996 CV 1 OR { 3506} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 56 and name HB )) ASSI { 3507} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 76 and name HB )) 2.400 0.700 0.700 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.23346E-02 ppm1 1.995 ppm2 1.785 CV 1 OR { 3507} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 77 and name HB1 )) ASSI { 3508} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 76 and name HD1%) 2.300 0.700 0.700 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.63981E-02 ppm1 1.997 ppm2 0.613 CV 1 OR { 3508} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 58 and name HD1%) OR { 3508} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 7 and name HG2%) ASSI { 3509} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 76 and name HG12)) 1.500 0.300 0.700 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.12351E-01 ppm1 1.997 ppm2 0.915 CV 1 OR { 3509} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 56 and name HG1%) ASSI { 3510} (( segid " " and resid 76 and name HG12)) ( segid " " and resid 58 and name HD1%) 2.100 0.500 0.500 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.57568E-02 ppm1 0.917 ppm2 0.618 CV 1 OR { 3510} (( segid " " and resid 76 and name HG12)) ( segid " " and resid 76 and name HD1%) ASSI { 3522} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 76 and name HN )) 3.600 1.600 1.600 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.18590E-02 ppm1 0.916 ppm2 8.510 CV 1 OR { 3522} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 77 and name HN )) ASSI { 3524} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HG12)) 3.100 1.200 1.200 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.94110E-03 ppm1 0.535 ppm2 0.942 CV 1 OR { 3524} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 56 and name HG1%) OR { 3524} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 56 and name HG2%) ASSI { 3525} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HG12)) 2.900 1.100 1.100 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 0.536 ppm2 0.897 CV 1 OR { 3525} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 56 and name HG1%) OR { 3525} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 58 and name HG12)) OR { 3525} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 11 and name HD1%) ASSI { 3526} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 11 and name HD1%) 2.800 1.000 1.000 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.17744E-02 ppm1 0.615 ppm2 0.822 CV 1 OR { 3526} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 58 and name HG12)) ASSI { 3529} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HB )) 2.600 0.900 0.900 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.16648E-02 ppm1 0.537 ppm2 1.780 CV 1 OR { 3529} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 7 and name HB )) OR { 3529} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HB1 )) ASSI { 3530} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HB2 )) 5.700 4.100 0.300 peak 3530 spectrum 1 weight 0.10000E+01 volume 0.18656E-03 ppm1 0.531 ppm2 1.653 CV 1 OR { 3530} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HG )) OR { 3530} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 58 and name HB )) ASSI { 3531} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 2 and name HB% ) 4.700 2.700 1.300 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.43122E-03 ppm1 0.540 ppm2 1.539 CV 1 OR { 3531} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 7 and name HG11)) OR { 3531} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 58 and name HG11)) OR { 3531} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 50 and name HB% ) ASSI { 3532} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 58 and name HG11)) 6.000 5.500 0.000 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.59756E-04 ppm1 0.532 ppm2 1.487 CV 1 OR { 3532} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 50 and name HB% ) OR { 3532} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 1 and name HB% ) ASSI { 3534} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 73 and name HG2%) 3.100 3.100 2.900 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.47482E-03 ppm1 0.611 ppm2 1.121 CV 1 OR { 3534} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 40 and name H3B )) ASSI { 3535} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 11 and name HB1 )) 3.100 3.100 2.900 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.54051E-03 ppm1 0.613 ppm2 2.117 CV 1 OR { 3535} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 66 and name HB1 )) OR { 3535} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 51 and name HB2 )) OR { 3535} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 14 and name HB )) OR { 3535} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 80 and name HB2 )) ASSI { 3536} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HG11)) 2.100 0.500 0.500 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.82403E-02 ppm1 0.617 ppm2 1.997 CV 1 OR { 3536} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 11 and name HG )) ASSI { 3540} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 50 and name HB% ) 3.000 1.100 1.100 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.38090E-02 ppm1 0.615 ppm2 1.499 CV 1 OR { 3540} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 58 and name HG11)) ASSI { 3541} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 40 and name H2B )) 3.700 1.800 1.800 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.16316E-03 ppm1 0.614 ppm2 2.218 CV 1 OR { 3541} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 40 and name H2A )) OR { 3541} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 47 and name HB )) OR { 3541} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 78 and name HB2 )) OR { 3541} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 15 and name HB )) OR { 3541} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 4 and name HG1 )) ASSI { 3542} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 66 and name HB1 )) 3.500 1.500 1.500 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.25697E-03 ppm1 0.619 ppm2 2.190 CV 1 OR { 3542} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 47 and name HB )) OR { 3542} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 80 and name HB2 )) OR { 3542} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 4 and name HG2 )) OR { 3542} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 78 and name HB2 )) ASSI { 3545} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 54 and name HB2 )) 4.300 2.300 1.700 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.44903E-03 ppm1 0.534 ppm2 2.733 CV 1 OR { 3545} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HG1 )) ASSI { 3548} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 79 and name HB2 )) 5.500 3.800 0.500 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.92045E-04 ppm1 0.534 ppm2 2.519 CV 1 OR { 3548} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 55 and name HB2 )) OR { 3548} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 78 and name HB1 )) ASSI { 3552} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 56 and name HB )) 3.500 1.500 1.500 peak 3552 spectrum 1 weight 0.10000E+01 volume 0.85239E-03 ppm1 0.534 ppm2 2.002 CV 1 OR { 3552} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HG11)) ASSI { 3553} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HA )) 4.700 2.700 1.300 peak 3553 spectrum 1 weight 0.10000E+01 volume 0.24809E-03 ppm1 0.534 ppm2 3.900 CV 1 OR { 3553} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 7 and name HA )) ASSI { 3556} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 73 and name HA )) 5.700 4.100 0.300 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.17865E-03 ppm1 0.541 ppm2 3.658 CV 1 OR { 3556} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 4 and name HA )) ASSI { 3558} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 11 and name HA )) 3.400 1.500 1.500 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.28036E-03 ppm1 0.616 ppm2 4.207 CV 1 OR { 3558} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 51 and name HA )) OR { 3558} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 73 and name HB )) OR { 3558} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 3561} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.14551E-03 ppm1 0.618 ppm2 3.992 CV 1 OR { 3561} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 43 and name HA )) OR { 3561} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 70 and name HA1 )) OR { 3561} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 48 and name HA )) ASSI { 3562} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 7 and name HA )) 3.000 3.000 3.000 peak 3562 spectrum 1 weight 0.10000E+01 volume 0.59189E-03 ppm1 0.616 ppm2 3.898 CV 1 OR { 3562} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 3562} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 3565} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 54 and name HA )) 3.600 3.600 2.400 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.21815E-03 ppm1 0.614 ppm2 4.843 CV 1 OR { 3565} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 2 and name HA )) ASSI { 3567} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 3567 spectrum 1 weight 0.10000E+01 volume 0.12486E-03 ppm1 0.614 ppm2 8.845 CV 1 OR { 3567} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 50 and name HN )) OR { 3567} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 2 and name HN )) ASSI { 3570} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 7 and name HN )) 3.300 3.300 2.700 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.33269E-03 ppm1 0.613 ppm2 8.388 CV 1 OR { 3570} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 8 and name HN )) OR { 3570} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 10 and name HN )) OR { 3570} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 71 and name HN )) ASSI { 3573} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HN )) 3.900 1.900 1.900 peak 3573 spectrum 1 weight 0.10000E+01 volume 0.13490E-03 ppm1 0.617 ppm2 7.931 CV 1 OR { 3573} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 49 and name HN )) ASSI { 3574} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 80 and name HE22)) 4.100 2.100 1.900 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.98765E-04 ppm1 0.609 ppm2 7.752 CV 1 OR { 3574} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 79 and name HN )) OR { 3574} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 52 and name HN )) OR { 3574} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 9 and name HN )) ASSI { 3580} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 7 and name HN )) 4.100 2.200 1.900 peak 3580 spectrum 1 weight 0.10000E+01 volume 0.88994E-04 ppm1 0.535 ppm2 8.393 CV 1 OR { 3580} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 8 and name HN )) OR { 3580} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 10 and name HN )) ASSI { 3588} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 7 and name HN )) 3.300 3.300 2.700 peak 3588 spectrum 1 weight 0.10000E+01 volume 0.33568E-03 ppm1 1.665 ppm2 8.390 CV 1 OR { 3588} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 8 and name HN )) ASSI { 3589} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 3589 spectrum 1 weight 0.10000E+01 volume 0.39506E-02 ppm1 1.770 ppm2 8.505 CV 1 OR { 3589} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HN )) ASSI { 3590} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 2.400 0.700 0.700 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 1.665 ppm2 8.506 CV 1 OR { 3590} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 76 and name HN )) ASSI { 3593} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.38788E-02 ppm1 3.896 ppm2 8.504 CV 1 OR { 3593} (( segid " " and resid 77 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 3595} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HN )) 3.900 1.900 1.900 peak 3595 spectrum 1 weight 0.10000E+01 volume 0.83609E-03 ppm1 3.902 ppm2 7.863 CV 1 OR { 3595} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 3596} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HE22)) 3.300 1.400 1.400 peak 3596 spectrum 1 weight 0.10000E+01 volume 0.32727E-02 ppm1 3.898 ppm2 7.736 CV 1 OR { 3596} (( segid " " and resid 77 and name HA )) (( segid " " and resid 79 and name HN )) OR { 3596} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HN )) ASSI { 3598} (( segid " " and resid 77 and name HA )) (( segid " " and resid 7 and name HN )) 3.700 3.700 2.300 peak 3598 spectrum 1 weight 0.10000E+01 volume 0.41505E-03 ppm1 3.898 ppm2 8.389 CV 1 OR { 3598} (( segid " " and resid 53 and name HA )) (( segid " " and resid 10 and name HN )) OR { 3598} (( segid " " and resid 53 and name HA )) (( segid " " and resid 7 and name HN )) ASSI { 3600} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 79 and name HN )) 5.300 3.500 0.700 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.27306E-03 ppm1 1.771 ppm2 7.751 CV 1 OR { 3600} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 80 and name HE22)) ASSI { 3601} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.37852E-02 ppm1 1.770 ppm2 3.916 CV 1 OR { 3601} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 74 and name HA )) ASSI { 3602} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.300 0.600 0.600 peak 3602 spectrum 1 weight 0.10000E+01 volume 0.38440E-02 ppm1 1.664 ppm2 3.914 CV 1 OR { 3602} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 3605} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HB2 )) 4.300 2.300 1.700 peak 3605 spectrum 1 weight 0.10000E+01 volume 0.68508E-03 ppm1 3.903 ppm2 2.140 CV 1 OR { 3605} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HB1 )) ASSI { 3606} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 2.700 0.900 0.900 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.42273E-02 ppm1 3.896 ppm2 1.769 CV 1 OR { 3606} (( segid " " and resid 77 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 3607} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.100 0.600 0.600 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.83938E-02 ppm1 3.908 ppm2 1.623 CV 1 OR { 3607} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) OR { 3607} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG )) ASSI { 3608} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HB2 )) 4.400 2.500 1.600 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.35459E-03 ppm1 1.770 ppm2 2.214 CV 1 OR { 3608} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 4 and name HG1 )) ASSI { 3610} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) 2.600 0.800 0.800 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.54754E-02 ppm1 1.769 ppm2 0.827 CV 1 OR { 3610} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) OR { 3610} (( segid " " and resid 28 and name HB1 )) ( segid " " and resid 28 and name HD1%) ASSI { 3611} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 7 and name HD1%) 3.900 1.900 1.900 peak 3611 spectrum 1 weight 0.10000E+01 volume 0.16409E-02 ppm1 1.769 ppm2 0.527 CV 1 OR { 3611} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 76 and name HG2%) ASSI { 3612} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 7 and name HD1%) 2.400 0.700 0.700 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 1.667 ppm2 0.532 CV 1 OR { 3612} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 76 and name HG2%) ASSI { 3614} (( segid " " and resid 77 and name HA )) ( segid " " and resid 7 and name HD1%) 2.200 0.600 0.600 peak 3614 spectrum 1 weight 0.10000E+01 volume 0.52731E-02 ppm1 3.896 ppm2 0.528 CV 1 OR { 3614} (( segid " " and resid 77 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 3616} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD2%) 2.500 0.800 0.800 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.93516E-02 ppm1 3.899 ppm2 0.826 CV 1 OR { 3616} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD1%) OR { 3616} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) ASSI { 3618} (( segid " " and resid 77 and name HG )) (( segid " " and resid 78 and name HA )) 4.700 2.700 1.300 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.28566E-03 ppm1 1.628 ppm2 4.382 CV 1 OR { 3618} (( segid " " and resid 77 and name HG )) (( segid " " and resid 80 and name HA )) ASSI { 3619} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HN )) 3.600 1.600 1.600 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.20665E-02 ppm1 1.630 ppm2 8.503 CV 1 OR { 3619} (( segid " " and resid 77 and name HG )) (( segid " " and resid 3 and name HN )) ASSI { 3625} (( segid " " and resid 77 and name HG )) ( segid " " and resid 7 and name HD1%) 3.400 1.400 1.400 peak 3625 spectrum 1 weight 0.10000E+01 volume 0.21481E-02 ppm1 1.632 ppm2 0.531 CV 1 OR { 3625} (( segid " " and resid 77 and name HG )) ( segid " " and resid 76 and name HG2%) ASSI { 3630} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) 2.600 0.800 0.800 peak 3630 spectrum 1 weight 0.10000E+01 volume 0.70367E-02 ppm1 0.826 ppm2 3.893 CV 1 OR { 3630} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) OR { 3630} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 74 and name HA )) ASSI { 3631} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 2 and name HA )) 4.000 2.000 2.000 peak 3631 spectrum 1 weight 0.10000E+01 volume 0.16140E-03 ppm1 0.835 ppm2 4.835 CV 1 OR { 3631} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 2 and name HA )) OR { 3631} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 54 and name HA )) OR { 3631} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 54 and name HA )) ASSI { 3635} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 7 and name HN )) 3.200 1.300 1.300 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.43370E-03 ppm1 0.826 ppm2 8.378 CV 1 OR { 3635} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 7 and name HN )) OR { 3635} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 8 and name HN )) ASSI { 3642} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 79 and name HN )) 3.700 1.700 1.700 peak 3642 spectrum 1 weight 0.10000E+01 volume 0.18535E-02 ppm1 0.825 ppm2 7.740 CV 1 OR { 3642} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HE22)) OR { 3642} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 79 and name HN )) OR { 3642} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HE22)) ASSI { 3643} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HE21)) 3.700 1.700 1.700 peak 3643 spectrum 1 weight 0.10000E+01 volume 0.16383E-02 ppm1 0.825 ppm2 7.683 CV 1 OR { 3643} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 79 and name HN )) OR { 3643} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HE21)) OR { 3643} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 79 and name HN )) ASSI { 3656} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 7 and name HD1%) 2.600 0.900 0.900 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.61697E-02 ppm1 0.825 ppm2 0.528 CV 1 OR { 3656} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 7 and name HD1%) OR { 3656} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 76 and name HG2%) ASSI { 3687} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HG1 )) 3.300 1.300 1.300 peak 3687 spectrum 1 weight 0.10000E+01 volume 0.92493E-03 ppm1 1.518 ppm2 2.712 CV 1 OR { 3687} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HD2 )) ASSI { 3688} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HG2 )) 4.200 2.200 1.800 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.15997E-02 ppm1 1.516 ppm2 2.579 CV 1 OR { 3688} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 13 and name HG1 )) ASSI { 3689} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HB2 )) 3.600 1.700 1.700 peak 3689 spectrum 1 weight 0.10000E+01 volume 0.17768E-02 ppm1 1.515 ppm2 2.142 CV 1 OR { 3689} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HB )) OR { 3689} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HB1 )) ASSI { 3692} ( segid " " and resid 1 and name HB% ) ( segid " " and resid 7 and name HD1%) 5.000 3.100 1.000 peak 3692 spectrum 1 weight 0.10000E+01 volume 0.59176E-03 ppm1 1.516 ppm2 0.542 CV 1 OR { 3692} ( segid " " and resid 1 and name HB% ) ( segid " " and resid 76 and name HG2%) OR { 3692} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 58 and name HD1%) OR { 3692} ( segid " " and resid 1 and name HB% ) ( segid " " and resid 7 and name HG2%) ASSI { 3693} ( segid " " and resid 1 and name HB% ) ( segid " " and resid 7 and name HD1%) 5.700 4.000 0.300 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.31455E-03 ppm1 1.517 ppm2 0.509 CV 1 OR { 3693} ( segid " " and resid 1 and name HB% ) ( segid " " and resid 76 and name HG2%) ASSI { 3694} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HB1 )) 3.900 1.900 1.900 peak 3694 spectrum 1 weight 0.10000E+01 volume 0.69334E-03 ppm1 1.514 ppm2 2.340 CV 1 OR { 3694} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 13 and name HG2 )) ASSI { 3698} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 54 and name HD% ) 5.800 4.200 0.200 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.23512E-03 ppm1 1.521 ppm2 7.455 CV 1 OR { 3698} ( segid " " and resid 1 and name HB% ) ( segid " " and resid 54 and name HD% ) OR { 3698} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 54 and name HZ )) ASSI { 3699} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HN )) 3.700 1.700 1.700 peak 3699 spectrum 1 weight 0.10000E+01 volume 0.21517E-02 ppm1 1.517 ppm2 7.742 CV 1 OR { 3699} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HE22)) OR { 3699} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 79 and name HN )) ASSI { 3702} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HE22)) 4.500 2.500 1.500 peak 3702 spectrum 1 weight 0.10000E+01 volume 0.34554E-03 ppm1 4.030 ppm2 7.723 CV 1 OR { 3702} (( segid " " and resid 1 and name HA )) (( segid " " and resid 79 and name HN )) ASSI { 3709} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.42725E-02 ppm1 4.384 ppm2 8.278 CV 1 OR { 3709} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 3714} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 74 and name HA )) 4.800 2.900 1.200 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.20142E-03 ppm1 2.213 ppm2 3.943 CV 1 OR { 3714} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 77 and name HA )) ASSI { 3718} (( segid " " and resid 80 and name HA )) (( segid " " and resid 77 and name HA )) 5.500 3.800 0.500 peak 3718 spectrum 1 weight 0.10000E+01 volume 0.15124E-03 ppm1 4.382 ppm2 3.886 CV 1 OR { 3718} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HA )) ASSI { 3720} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB1 )) 3.000 1.200 1.200 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.41532E-02 ppm1 4.384 ppm2 2.529 CV 1 OR { 3720} (( segid " " and resid 80 and name HA )) (( segid " " and resid 79 and name HB2 )) ASSI { 3721} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HB1 )) 4.400 2.400 1.600 peak 3721 spectrum 1 weight 0.10000E+01 volume 0.48176E-03 ppm1 4.390 ppm2 1.767 CV 1 OR { 3721} (( segid " " and resid 80 and name HA )) (( segid " " and resid 76 and name HB )) OR { 3721} (( segid " " and resid 80 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 3722} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HG )) 4.100 2.100 1.900 peak 3722 spectrum 1 weight 0.10000E+01 volume 0.94585E-03 ppm1 4.384 ppm2 1.658 CV 1 OR { 3722} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HB2 )) OR { 3722} (( segid " " and resid 80 and name HA )) (( segid " " and resid 77 and name HG )) OR { 3722} (( segid " " and resid 80 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 3723} (( segid " " and resid 80 and name HA )) ( segid " " and resid 1 and name HB% ) 4.800 2.900 1.200 peak 3723 spectrum 1 weight 0.10000E+01 volume 0.45783E-03 ppm1 4.393 ppm2 1.509 CV 1 OR { 3723} (( segid " " and resid 78 and name HA )) ( segid " " and resid 1 and name HB% ) OR { 3723} (( segid " " and resid 80 and name HA )) (( segid " " and resid 7 and name HG11)) OR { 3723} (( segid " " and resid 78 and name HA )) (( segid " " and resid 74 and name HG1 )) ASSI { 3735} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 77 and name HN )) 5.100 3.300 0.900 peak 3735 spectrum 1 weight 0.10000E+01 volume 0.23974E-03 ppm1 2.532 ppm2 8.524 CV 1 OR { 3735} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 76 and name HN )) ASSI { 3739} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HN )) 3.500 1.500 1.500 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.12762E-02 ppm1 4.382 ppm2 7.716 CV 1 OR { 3739} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HE22)) OR { 3739} (( segid " " and resid 80 and name HA )) (( segid " " and resid 79 and name HN )) ASSI { 3740} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HN )) 5.200 3.300 0.800 peak 3740 spectrum 1 weight 0.10000E+01 volume 0.25159E-03 ppm1 4.388 ppm2 8.514 CV 1 OR { 3740} (( segid " " and resid 80 and name HA )) (( segid " " and resid 77 and name HN )) OR { 3740} (( segid " " and resid 78 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 3759} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 80 and name HA )) 5.300 3.500 0.700 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.17805E-03 ppm1 3.589 ppm2 4.430 CV 1 OR { 3759} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 78 and name HA )) ASSI { 3779} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 78 and name HB1 )) 3.000 1.100 1.100 peak 3779 spectrum 1 weight 0.10000E+01 volume 0.13409E-02 ppm1 7.015 ppm2 2.525 CV 1 OR { 3779} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HB2 )) ASSI { 3784} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 81 and name HN )) 4.000 2.000 2.000 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.13899E-02 ppm1 2.145 ppm2 8.307 CV 1 OR { 3784} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 78 and name HN )) ASSI { 3793} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 6 and name HN )) 4.300 2.300 1.700 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.69645E-03 ppm1 2.143 ppm2 7.730 CV 1 OR { 3793} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 6 and name HN )) OR { 3793} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 79 and name HN )) OR { 3793} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HE22)) ASSI { 3795} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HE22)) 4.400 2.400 1.600 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.61542E-03 ppm1 2.341 ppm2 7.738 CV 1 OR { 3795} (( segid " " and resid 26 and name HB )) (( segid " " and resid 25 and name HN )) OR { 3795} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 79 and name HN )) ASSI { 3799} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 3799 spectrum 1 weight 0.10000E+01 volume 0.42189E-02 ppm1 2.145 ppm2 4.419 CV 1 OR { 3799} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 3 and name HA )) ASSI { 3812} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 76 and name HG2%) 4.400 2.500 1.600 peak 3812 spectrum 1 weight 0.10000E+01 volume 0.13722E-02 ppm1 2.151 ppm2 0.532 CV 1 OR { 3812} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 7 and name HD1%) OR { 3812} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 7 and name HD1%) ASSI { 3813} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 76 and name HG2%) 4.700 2.700 1.300 peak 3813 spectrum 1 weight 0.10000E+01 volume 0.98153E-03 ppm1 2.339 ppm2 0.531 CV 1 OR { 3813} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 7 and name HD1%) ASSI { 3816} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 1 and name HB% ) 4.400 2.400 1.600 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.53658E-03 ppm1 2.136 ppm2 1.521 CV 1 OR { 3816} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 9 and name HB% ) OR { 3816} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 2 and name HB% ) OR { 3816} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 7 and name HG11)) OR { 3816} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 2 and name HB% ) ASSI { 3818} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 81 and name HB% ) 5.600 3.900 0.400 peak 3818 spectrum 1 weight 0.10000E+01 volume 0.19534E-03 ppm1 2.164 ppm2 1.447 CV 1 OR { 3818} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 28 and name HB2 )) ASSI { 3821} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 56 and name HG2%) 4.300 2.300 1.700 peak 3821 spectrum 1 weight 0.10000E+01 volume 0.93736E-03 ppm1 2.151 ppm2 0.935 CV 1 OR { 3821} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 28 and name HD2%) OR { 3821} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 56 and name HG1%) OR { 3821} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 8 and name HG1%) ASSI { 3831} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 1 and name HB% ) 3.500 1.500 1.500 peak 3831 spectrum 1 weight 0.10000E+01 volume 0.62131E-03 ppm1 2.713 ppm2 1.525 CV 1 OR { 3831} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 2 and name HB% ) ASSI { 3832} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 2 and name HB% ) 4.300 2.300 1.700 peak 3832 spectrum 1 weight 0.10000E+01 volume 0.65730E-03 ppm1 2.586 ppm2 1.519 CV 1 OR { 3832} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 1 and name HB% ) ASSI { 3837} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 7 and name HD1%) 3.900 1.900 1.900 peak 3837 spectrum 1 weight 0.10000E+01 volume 0.77392E-03 ppm1 2.589 ppm2 0.534 CV 1 OR { 3837} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 76 and name HG2%) ASSI { 3838} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 7 and name HD1%) 4.600 2.700 1.400 peak 3838 spectrum 1 weight 0.10000E+01 volume 0.79639E-03 ppm1 2.711 ppm2 0.524 CV 1 OR { 3838} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 76 and name HG2%) ASSI { 3851} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 80 and name HE22)) 3.600 1.600 1.600 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.23775E-02 ppm1 2.713 ppm2 7.737 CV 1 OR { 3851} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 79 and name HN )) ASSI { 3852} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HE22)) 3.300 1.300 1.300 peak 3852 spectrum 1 weight 0.10000E+01 volume 0.22938E-02 ppm1 2.587 ppm2 7.737 CV 1 OR { 3852} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 79 and name HN )) ASSI { 3855} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 81 and name HN )) 5.100 3.200 0.900 peak 3855 spectrum 1 weight 0.10000E+01 volume 0.39247E-03 ppm1 2.716 ppm2 8.311 CV 1 OR { 3855} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 78 and name HN )) ASSI { 3856} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 81 and name HN )) 4.500 2.600 1.500 peak 3856 spectrum 1 weight 0.10000E+01 volume 0.44254E-03 ppm1 2.586 ppm2 8.304 CV 1 OR { 3856} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 78 and name HN )) ASSI { 3859} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 70 and name HA1 )) 4.700 2.800 1.300 peak 3859 spectrum 1 weight 0.10000E+01 volume 0.87880E-03 ppm1 1.110 ppm2 4.039 CV 1 OR { 3859} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HA1 )) OR { 3859} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 32 and name HA )) ASSI { 3860} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HA )) 3.500 1.500 1.500 peak 3860 spectrum 1 weight 0.10000E+01 volume 0.20027E-02 ppm1 1.109 ppm2 3.934 CV 1 OR { 3860} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HA )) OR { 3860} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HA )) ASSI { 3862} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HA )) 1.900 0.500 0.500 peak 3862 spectrum 1 weight 0.10000E+01 volume 0.12397E-01 ppm1 1.108 ppm2 3.675 CV 1 OR { 3862} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 73 and name HA )) ASSI { 3867} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HN )) 3.900 1.900 1.900 peak 3867 spectrum 1 weight 0.10000E+01 volume 0.13255E-02 ppm1 1.108 ppm2 8.510 CV 1 OR { 3867} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 3 and name HN )) OR { 3867} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 76 and name HN )) ASSI { 3868} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 8 and name HN )) 3.300 1.300 1.300 peak 3868 spectrum 1 weight 0.10000E+01 volume 0.24223E-02 ppm1 1.109 ppm2 8.390 CV 1 OR { 3868} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HN )) OR { 3868} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HN )) ASSI { 3869} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 78 and name HN )) 6.000 5.200 0.000 peak 3869 spectrum 1 weight 0.10000E+01 volume 0.88309E-04 ppm1 1.117 ppm2 8.294 CV 1 OR { 3869} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 71 and name HN )) ASSI { 3873} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 6 and name HN )) 4.000 2.000 2.000 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.39826E-03 ppm1 1.111 ppm2 7.726 CV 1 OR { 3873} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 80 and name HE22)) OR { 3873} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HN )) OR { 3873} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 79 and name HN )) ASSI { 3875} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 6 and name HB1 )) 3.400 1.400 1.400 peak 3875 spectrum 1 weight 0.10000E+01 volume 0.39502E-03 ppm1 1.106 ppm2 2.481 CV 1 OR { 3875} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 34 and name HB2 )) OR { 3875} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 5 and name HG1 )) OR { 3875} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 79 and name HB2 )) ASSI { 3877} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 3877 spectrum 1 weight 0.10000E+01 volume 0.26551E-02 ppm1 1.108 ppm2 2.031 CV 1 OR { 3877} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HB2 )) OR { 3877} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 11 and name HG )) OR { 3877} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 76 and name HG11)) ASSI { 3878} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HB2 )) 3.600 3.600 2.400 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.11834E-02 ppm1 1.109 ppm2 1.920 CV 1 OR { 3878} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HB2 )) ASSI { 3879} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HB )) 1.900 0.500 0.500 peak 3879 spectrum 1 weight 0.10000E+01 volume 0.64566E-02 ppm1 1.108 ppm2 1.781 CV 1 OR { 3879} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 76 and name HB )) ASSI { 3880} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HB2 )) 3.200 1.300 1.300 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 1.103 ppm2 1.695 CV 1 OR { 3880} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HD2 )) ASSI { 3881} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HB2 )) 2.900 1.000 1.000 peak 3881 spectrum 1 weight 0.10000E+01 volume 0.21515E-02 ppm1 1.109 ppm2 1.620 CV 1 OR { 3881} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HG1 )) OR { 3881} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HG )) OR { 3881} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 72 and name HB% ) ASSI { 3882} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HG11)) 3.900 1.900 1.900 peak 3882 spectrum 1 weight 0.10000E+01 volume 0.65612E-03 ppm1 1.109 ppm2 1.555 CV 1 OR { 3882} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HG1 )) OR { 3882} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 2 and name HB% ) OR { 3882} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 72 and name HB% ) ASSI { 3883} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HG2 )) 3.300 1.400 1.400 peak 3883 spectrum 1 weight 0.10000E+01 volume 0.11366E-02 ppm1 1.101 ppm2 1.474 CV 1 OR { 3883} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 28 and name HB2 )) OR { 3883} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 36 and name HG )) OR { 3883} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HG2 )) OR { 3883} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HG1 )) OR { 3883} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 28 and name HB2 )) OR { 3883} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 50 and name HB% ) OR { 3883} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 1 and name HB% ) ASSI { 3885} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 77 and name HD2%) 2.600 0.900 0.900 peak 3885 spectrum 1 weight 0.10000E+01 volume 0.88364E-02 ppm1 1.107 ppm2 0.828 CV 1 OR { 3885} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 77 and name HD1%) OR { 3885} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 11 and name HD1%) OR { 3885} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 28 and name HD1%) OR { 3885} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 11 and name HD2%) ASSI { 3887} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 7 and name HD1%) 2.300 0.700 0.700 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.99998E-02 ppm1 1.109 ppm2 0.551 CV 1 OR { 3887} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 7 and name HG2%) OR { 3887} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 76 and name HG2%) ASSI { 3894} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 51 and name HN )) 4.700 2.700 1.300 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.20699E-03 ppm1 7.466 ppm2 8.843 CV 1 OR { 3894} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 2 and name HN )) ASSI { 3900} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 11 and name HG )) 4.600 2.600 1.400 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.52511E-03 ppm1 7.469 ppm2 1.992 CV 1 OR { 3900} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 56 and name HB )) OR { 3900} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 76 and name HG11)) ASSI { 3901} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 76 and name HB )) 5.000 3.100 1.000 peak 3901 spectrum 1 weight 0.10000E+01 volume 0.29982E-03 ppm1 7.471 ppm2 1.778 CV 1 OR { 3901} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 7 and name HB )) ASSI { 3903} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 53 and name HB2 )) 3.300 1.400 1.400 peak 3903 spectrum 1 weight 0.10000E+01 volume 0.92507E-03 ppm1 7.467 ppm2 1.079 CV 1 OR { 3903} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 73 and name HG2%) OR { 3903} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 8 and name HG2%) ASSI { 3904} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 53 and name HG1 )) 3.200 1.300 1.300 peak 3904 spectrum 1 weight 0.10000E+01 volume 0.16221E-02 ppm1 7.469 ppm2 0.879 CV 1 OR { 3904} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 11 and name HD2%) OR { 3904} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 76 and name HG12)) OR { 3904} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 11 and name HD1%) OR { 3904} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 58 and name HG12)) ASSI { 3906} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 76 and name HD1%) 2.700 0.900 0.900 peak 3906 spectrum 1 weight 0.10000E+01 volume 0.30375E-02 ppm1 7.471 ppm2 0.615 CV 1 OR { 3906} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 58 and name HD1%) OR { 3906} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 40 and name H6% ) ASSI { 3907} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 76 and name HG2%) 2.800 1.000 1.000 peak 3907 spectrum 1 weight 0.10000E+01 volume 0.29660E-02 ppm1 7.470 ppm2 0.542 CV 1 OR { 3907} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 58 and name HD1%) OR { 3907} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 7 and name HG2%) OR { 3907} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 7 and name HD1%) ASSI { 3916} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 3.700 1.700 1.700 peak 3916 spectrum 1 weight 0.10000E+01 volume 0.83079E-03 ppm1 4.858 ppm2 7.846 CV 1 OR { 3916} (( segid " " and resid 54 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 3920} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 3920 spectrum 1 weight 0.10000E+01 volume 0.35881E-02 ppm1 7.128 ppm2 3.881 CV 1 OR { 3920} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 10 and name HA2 )) ASSI { 3923} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 53 and name HD2 )) 4.100 2.100 1.900 peak 3923 spectrum 1 weight 0.10000E+01 volume 0.64132E-03 ppm1 7.126 ppm2 2.726 CV 1 OR { 3923} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 54 and name HB2 )) ASSI { 3924} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 11 and name HB1 )) 3.600 1.600 1.600 peak 3924 spectrum 1 weight 0.10000E+01 volume 0.46231E-03 ppm1 7.126 ppm2 2.121 CV 1 OR { 3924} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 6 and name HB2 )) OR { 3924} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 51 and name HB2 )) OR { 3924} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 80 and name HB2 )) OR { 3924} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 4 and name HG2 )) OR { 3924} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 66 and name HB1 )) ASSI { 3926} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 7 and name HB )) 5.500 3.800 0.500 peak 3926 spectrum 1 weight 0.10000E+01 volume 0.17634E-03 ppm1 7.131 ppm2 1.783 CV 1 OR { 3926} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 76 and name HB )) ASSI { 3927} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 2 and name HB% ) 3.200 1.300 1.300 peak 3927 spectrum 1 weight 0.10000E+01 volume 0.14746E-02 ppm1 7.129 ppm2 1.556 CV 1 OR { 3927} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 7 and name HG11)) OR { 3927} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 72 and name HB% ) ASSI { 3928} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 53 and name HB2 )) 4.200 2.200 1.800 peak 3928 spectrum 1 weight 0.10000E+01 volume 0.44757E-03 ppm1 7.129 ppm2 1.081 CV 1 OR { 3928} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 73 and name HG2%) OR { 3928} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 8 and name HG2%) ASSI { 3929} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 11 and name HD2%) 2.800 1.000 1.000 peak 3929 spectrum 1 weight 0.10000E+01 volume 0.20302E-02 ppm1 7.127 ppm2 0.870 CV 1 OR { 3929} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 53 and name HG1 )) OR { 3929} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 11 and name HD1%) ASSI { 3931} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 7 and name HG2%) 3.300 1.400 1.400 peak 3931 spectrum 1 weight 0.10000E+01 volume 0.14528E-02 ppm1 7.126 ppm2 0.562 CV 1 OR { 3931} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 76 and name HG2%) OR { 3931} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 7 and name HD1%) ASSI { 3935} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 7 and name HN )) 4.300 2.300 1.700 peak 3935 spectrum 1 weight 0.10000E+01 volume 0.58427E-03 ppm1 7.126 ppm2 8.392 CV 1 OR { 3935} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 10 and name HN )) OR { 3935} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 8 and name HN )) ASSI { 3938} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.27900E-02 ppm1 7.465 ppm2 3.880 CV 1 OR { 3938} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 10 and name HA2 )) ASSI { 3943} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 53 and name HG1 )) 3.800 1.800 1.800 peak 3943 spectrum 1 weight 0.10000E+01 volume 0.60455E-03 ppm1 7.461 ppm2 0.869 CV 1 OR { 3943} (( segid " " and resid 54 and name HZ )) ( segid " " and resid 11 and name HD2%) ASSI { 3944} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 53 and name HG2 )) 3.500 1.500 1.500 peak 3944 spectrum 1 weight 0.10000E+01 volume 0.25929E-03 ppm1 7.462 ppm2 0.725 CV 1 OR { 3944} (( segid " " and resid 54 and name HZ )) ( segid " " and resid 14 and name HD1%) ASSI { 3947} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 10 and name HN )) 3.900 1.900 1.900 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.52721E-03 ppm1 7.466 ppm2 8.391 CV 1 OR { 3947} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 7 and name HN )) ASSI { 3953} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 79 and name HB2 )) 4.000 2.000 2.000 peak 3953 spectrum 1 weight 0.10000E+01 volume 0.50410E-03 ppm1 6.817 ppm2 2.526 CV 1 OR { 3953} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 78 and name HB1 )) ASSI { 3972} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 56 and name HA )) 4.600 2.600 1.400 peak 3972 spectrum 1 weight 0.10000E+01 volume 0.31091E-03 ppm1 6.553 ppm2 4.667 CV 1 OR { 3972} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 79 and name HA )) ASSI { 3978} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 51 and name HG2 )) 4.300 2.300 1.700 peak 3978 spectrum 1 weight 0.10000E+01 volume 0.26525E-03 ppm1 6.549 ppm2 2.259 CV 1 OR { 3978} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 78 and name HB2 )) ASSI { 3979} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 76 and name HG11)) 3.900 1.900 1.900 peak 3979 spectrum 1 weight 0.10000E+01 volume 0.12265E-02 ppm1 6.552 ppm2 1.995 CV 1 OR { 3979} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 56 and name HB )) ASSI { 3980} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 66 and name HG )) 4.800 2.800 1.200 peak 3980 spectrum 1 weight 0.10000E+01 volume 0.30836E-03 ppm1 6.551 ppm2 1.805 CV 1 OR { 3980} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 76 and name HB )) OR { 3980} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 77 and name HB1 )) ASSI { 3983} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HB )) 4.400 2.400 1.600 peak 3983 spectrum 1 weight 0.10000E+01 volume 0.40382E-03 ppm1 6.819 ppm2 1.784 CV 1 OR { 3983} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 66 and name HG )) OR { 3983} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 77 and name HB1 )) ASSI { 3986} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HG12)) 3.300 1.400 1.400 peak 3986 spectrum 1 weight 0.10000E+01 volume 0.17762E-02 ppm1 6.821 ppm2 0.912 CV 1 OR { 3986} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 56 and name HG1%) ASSI { 3987} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 58 and name HG12)) 2.800 1.000 1.000 peak 3987 spectrum 1 weight 0.10000E+01 volume 0.17940E-02 ppm1 6.821 ppm2 0.881 CV 1 OR { 3987} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HG12)) ASSI { 3988} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 66 and name HD2%) 3.200 1.300 1.300 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.37070E-02 ppm1 6.821 ppm2 0.596 CV 1 OR { 3988} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 76 and name HD1%) OR { 3988} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 58 and name HD1%) ASSI { 3991} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 79 and name HB2 )) 3.400 1.500 1.500 peak 3991 spectrum 1 weight 0.10000E+01 volume 0.10088E-02 ppm1 6.552 ppm2 2.520 CV 1 OR { 3991} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 78 and name HB1 )) ASSI { 3992} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 56 and name HG1%) 3.300 1.400 1.400 peak 3992 spectrum 1 weight 0.10000E+01 volume 0.22358E-02 ppm1 6.552 ppm2 0.945 CV 1 OR { 3992} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 56 and name HG2%) OR { 3992} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 76 and name HG12)) ASSI { 3993} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 58 and name HD1%) 3.700 1.700 1.700 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.29458E-02 ppm1 6.552 ppm2 0.584 CV 1 OR { 3993} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 76 and name HD1%) ASSI { 3998} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 76 and name HN )) 5.200 3.400 0.800 peak 3998 spectrum 1 weight 0.10000E+01 volume 0.35737E-03 ppm1 6.549 ppm2 8.502 CV 1 OR { 3998} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 77 and name HN )) ASSI { 4002} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.64059E-03 ppm1 1.568 ppm2 7.490 CV 1 OR { 4002} (( segid " " and resid 7 and name HG11)) ( segid " " and resid 54 and name HD% ) OR { 4002} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 54 and name HZ )) OR { 4002} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 36 and name HN )) ASSI { 4003} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HN )) 2.400 0.700 0.700 peak 4003 spectrum 1 weight 0.10000E+01 volume 0.58417E-02 ppm1 2.002 ppm2 9.244 CV 1 OR { 4003} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HN )) OR { 4003} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 4004} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H42A)) 4.100 2.100 1.900 peak 4004 spectrum 1 weight 0.10000E+01 volume 0.31761E-03 ppm1 4.145 ppm2 3.193 CV 1 OR { 4004} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H42B)) OR { 4004} (( segid " " and resid 40 and name HA )) (( segid " " and resid 32 and name HB1 )) ASSI { 4006} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HA )) 4.300 2.300 1.700 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.80827E-03 ppm1 4.145 ppm2 4.021 CV 1 OR { 4006} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H32A)) OR { 4006} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name HB1 )) OR { 4006} (( segid " " and resid 40 and name HA )) (( segid " " and resid 64 and name HA )) ASSI { 4007} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HA )) 5.600 3.900 0.400 peak 4007 spectrum 1 weight 0.10000E+01 volume 0.22447E-03 ppm1 4.145 ppm2 3.959 CV 1 OR { 4007} (( segid " " and resid 40 and name HA )) (( segid " " and resid 38 and name HA )) OR { 4007} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H32A)) OR { 4007} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name HB1 )) ASSI { 4017} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 57 and name HD2 )) 4.500 2.600 1.500 peak 4017 spectrum 1 weight 0.10000E+01 volume 0.28490E-03 ppm1 2.484 ppm2 1.675 CV 1 OR { 4017} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 57 and name HB2 )) OR { 4017} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 57 and name HD1 )) OR { 4017} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 57 and name HB1 )) OR { 4017} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 58 and name HB )) ASSI { 4018} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HB2 )) 5.400 3.700 0.600 peak 4018 spectrum 1 weight 0.10000E+01 volume 0.32047E-03 ppm1 2.111 ppm2 1.673 CV 1 OR { 4018} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HD2 )) OR { 4018} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HD1 )) OR { 4018} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HB1 )) OR { 4018} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 58 and name HB )) OR { 4018} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 77 and name HB2 )) ASSI { 4019} (( segid " " and resid 6 and name HB1 )) ( segid " " and resid 73 and name HG2%) 5.000 3.200 1.000 peak 4019 spectrum 1 weight 0.10000E+01 volume 0.30387E-03 ppm1 2.476 ppm2 1.114 CV 1 OR { 4019} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 53 and name HB2 )) ASSI { 4020} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 3 and name HG2%) 5.500 3.700 0.500 peak 4020 spectrum 1 weight 0.10000E+01 volume 0.11462E-03 ppm1 2.117 ppm2 1.358 CV 1 OR { 4020} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HG1 )) OR { 4020} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HG2 )) ASSI { 4021} (( segid " " and resid 51 and name HB2 )) ( segid " " and resid 48 and name HG2%) 5.200 3.400 0.800 peak 4021 spectrum 1 weight 0.10000E+01 volume 0.10611E-03 ppm1 2.103 ppm2 1.114 CV 1 OR { 4021} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 73 and name HG2%) OR { 4021} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 53 and name HB2 )) ASSI { 4022} (( segid " " and resid 51 and name HA )) ( segid " " and resid 48 and name HG2%) 5.200 3.300 0.800 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.18262E-03 ppm1 4.190 ppm2 1.107 CV 1 OR { 4022} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HB2 )) OR { 4022} (( segid " " and resid 51 and name HA )) (( segid " " and resid 14 and name HG12)) ASSI { 4023} (( segid " " and resid 6 and name HB1 )) ( segid " " and resid 7 and name HD1%) 5.200 3.400 0.800 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.38655E-03 ppm1 2.493 ppm2 0.575 CV 1 OR { 4023} (( segid " " and resid 51 and name HB1 )) ( segid " " and resid 58 and name HD1%) OR { 4023} (( segid " " and resid 6 and name HB1 )) ( segid " " and resid 7 and name HG2%) OR { 4023} (( segid " " and resid 6 and name HB1 )) ( segid " " and resid 76 and name HG2%) ASSI { 4025} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 10 and name HN )) 5.100 3.300 0.900 peak 4025 spectrum 1 weight 0.10000E+01 volume 0.21520E-03 ppm1 1.686 ppm2 8.395 CV 1 OR { 4025} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 8 and name HN )) OR { 4025} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 17 and name HN )) ASSI { 4027} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 18 and name HG11)) 3.000 1.100 1.100 peak 4027 spectrum 1 weight 0.10000E+01 volume 0.21977E-02 ppm1 1.066 ppm2 1.648 CV 1 OR { 4027} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 18 and name HB )) OR { 4027} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 12 and name HB% ) ASSI { 4058} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HD1 )) 3.300 1.400 1.400 peak 4058 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 4.635 ppm2 1.750 CV 1 OR { 4058} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HB1 )) OR { 4058} (( segid " " and resid 39 and name HA )) (( segid " " and resid 41 and name HG )) OR { 4058} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HG )) ASSI { 4075} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HD1 )) 2.900 1.100 1.100 peak 4075 spectrum 1 weight 0.10000E+01 volume 0.15695E-02 ppm1 2.063 ppm2 1.737 CV 1 OR { 4075} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HB1 )) OR { 4075} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HG )) ASSI { 4085} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 30 and name HN )) 4.700 2.700 1.300 peak 4085 spectrum 1 weight 0.10000E+01 volume 0.35880E-03 ppm1 2.072 ppm2 7.507 CV 1 OR { 4085} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 26 and name HN )) ASSI { 4096} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 68 and name HG2%) 5.000 3.200 1.000 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.26565E-03 ppm1 2.785 ppm2 1.060 CV 1 OR { 4096} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 8 and name HG2%) ASSI { 4099} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HN )) 2.300 0.600 0.600 peak 4099 spectrum 1 weight 0.10000E+01 volume 0.82992E-02 ppm1 1.048 ppm2 8.393 CV 1 OR { 4099} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HN )) ASSI { 4105} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H3B )) 5.100 3.200 0.900 peak 4105 spectrum 1 weight 0.10000E+01 volume 0.30332E-03 ppm1 1.589 ppm2 1.088 CV 1 OR { 4105} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 73 and name HG2%) ASSI { 4110} (( segid " " and resid 3 and name HA )) (( segid " " and resid 7 and name HN )) 4.600 2.600 1.400 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.31543E-03 ppm1 4.438 ppm2 8.410 CV 1 OR { 4110} (( segid " " and resid 3 and name HA )) (( segid " " and resid 8 and name HN )) ASSI { 4120} (( segid " " and resid 3 and name HA )) ( segid " " and resid 7 and name HD1%) 4.500 2.500 1.500 peak 4120 spectrum 1 weight 0.10000E+01 volume 0.58778E-03 ppm1 4.439 ppm2 0.537 CV 1 OR { 4120} (( segid " " and resid 3 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 4128} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 7 and name HN )) 5.200 3.400 0.800 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.38692E-03 ppm1 1.366 ppm2 8.375 CV 1 OR { 4128} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 8 and name HN )) ASSI { 4131} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HB1 )) 4.300 2.400 1.700 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.87551E-03 ppm1 1.368 ppm2 2.487 CV 1 OR { 4131} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 5 and name HG1 )) ASSI { 4132} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HG2 )) 4.900 3.100 1.100 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.28059E-03 ppm1 1.362 ppm2 2.345 CV 1 OR { 4132} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 5 and name HG2 )) ASSI { 4138} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 45 and name HN )) 4.100 2.100 1.900 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.81393E-03 ppm1 0.942 ppm2 6.983 CV 1 OR { 4138} ( segid " " and resid 38 and name HG1%) ( segid " " and resid 32 and name HE% ) OR { 4138} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 32 and name HE% ) ASSI { 4139} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 36 and name HN )) 3.900 1.900 1.900 peak 4139 spectrum 1 weight 0.10000E+01 volume 0.30542E-03 ppm1 0.949 ppm2 7.456 CV 1 OR { 4139} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 36 and name HN )) OR { 4139} ( segid " " and resid 46 and name HG2%) ( segid " " and resid 54 and name HD% ) ASSI { 4150} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 28 and name HG )) 5.700 4.000 0.300 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.38363E-03 ppm1 2.228 ppm2 1.784 CV 1 OR { 4150} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 7 and name HB )) OR { 4150} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 77 and name HB1 )) ASSI { 4151} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 28 and name HD2%) 4.800 2.900 1.200 peak 4151 spectrum 1 weight 0.10000E+01 volume 0.20016E-03 ppm1 2.156 ppm2 0.915 CV 1 OR { 4151} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 8 and name HG1%) ASSI { 4161} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 10 and name HA2 )) 4.100 2.100 1.900 peak 4161 spectrum 1 weight 0.10000E+01 volume 0.10048E-02 ppm1 1.522 ppm2 3.869 CV 1 OR { 4161} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 7 and name HA )) OR { 4161} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 7 and name HA )) OR { 4161} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 10 and name HA2 )) OR { 4161} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HA )) ASSI { 4162} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 10 and name HA1 )) 4.100 2.100 1.900 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.89757E-03 ppm1 1.524 ppm2 4.036 CV 1 OR { 4162} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 10 and name HA1 )) ASSI { 4163} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 4 and name HE22)) 3.400 3.400 2.600 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.84586E-03 ppm1 1.520 ppm2 7.547 CV 1 OR { 4163} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 63 and name HN )) OR { 4163} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 62 and name HN )) ASSI { 4166} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 36 and name HA )) 4.900 2.900 1.100 peak 4166 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 1.006 ppm2 4.384 CV 1 OR { 4166} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 68 and name HB )) ASSI { 4172} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name HB1 )) 4.400 2.400 1.600 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.32419E-03 ppm1 1.725 ppm2 4.156 CV 1 OR { 4172} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name HB2 )) OR { 4172} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name HA )) OR { 4172} (( segid " " and resid 28 and name HG )) (( segid " " and resid 73 and name HB )) ASSI { 4173} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H4A )) 3.000 1.100 1.100 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.22562E-02 ppm1 0.412 ppm2 0.853 CV 1 OR { 4173} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H4B )) OR { 4173} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 58 and name HG12)) OR { 4173} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 11 and name HD1%) ASSI { 4176} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 53 and name HG2 )) 4.000 2.000 2.000 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.10367E-03 ppm1 0.534 ppm2 0.725 CV 1 OR { 4176} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 14 and name HD1%) ASSI { 4177} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 58 and name HG12)) 5.400 3.600 0.600 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.24999E-03 ppm1 0.534 ppm2 0.805 CV 1 OR { 4177} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 11 and name HD1%) OR { 4177} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 77 and name HD2%) OR { 4177} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 77 and name HD1%) ASSI { 4180} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HN )) 4.100 2.100 1.900 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.55887E-03 ppm1 4.248 ppm2 8.200 CV 1 OR { 4180} (( segid " " and resid 9 and name HA )) (( segid " " and resid 14 and name HN )) ASSI { 4181} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 48 and name HG1%) 2.900 1.100 1.100 peak 4181 spectrum 1 weight 0.10000E+01 volume 0.27481E-02 ppm1 1.535 ppm2 0.965 CV 1 OR { 4181} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 46 and name HG2%) OR { 4181} ( segid " " and resid 1 and name HB% ) ( segid " " and resid 56 and name HG2%) ASSI { 4188} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 15 and name HA )) 3.500 3.500 2.500 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.24472E-03 ppm1 1.455 ppm2 3.592 CV 1 OR { 4188} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 44 and name HA )) ASSI { 4192} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 32 and name HB1 )) 2.700 0.900 0.900 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 1.451 ppm2 3.174 CV 1 OR { 4192} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 32 and name HB2 )) OR { 4192} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H42A)) OR { 4192} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H42B)) ASSI { 4196} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 38 and name HN )) 2.900 1.100 1.100 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.70243E-03 ppm1 1.450 ppm2 8.081 CV 1 OR { 4196} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 41 and name HN )) OR { 4196} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H41A)) OR { 4196} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 46 and name HN )) ASSI { 4197} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 47 and name HN )) 2.900 2.900 3.100 peak 4197 spectrum 1 weight 0.10000E+01 volume 0.74030E-03 ppm1 1.450 ppm2 7.996 CV 1 OR { 4197} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H36A)) ASSI { 4202} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 40 and name H6% ) 2.300 2.300 3.700 peak 4202 spectrum 1 weight 0.10000E+01 volume 0.33952E-02 ppm1 1.449 ppm2 0.657 CV 1 OR { 4202} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 46 and name HG1%) OR { 4202} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 36 and name HD1%) OR { 4202} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 69 and name HG2%) ASSI { 4203} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 69 and name HG1%) 3.000 3.000 3.000 peak 4203 spectrum 1 weight 0.10000E+01 volume 0.58870E-03 ppm1 1.448 ppm2 0.401 CV 1 OR { 4203} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 66 and name HD1%) ASSI { 4205} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H5B )) 3.000 1.100 1.100 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.21488E-02 ppm1 1.452 ppm2 1.008 CV 1 OR { 4205} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 15 and name HG1%) OR { 4205} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H5A )) ASSI { 4206} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H4A )) 2.400 2.400 3.600 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.71280E-02 ppm1 1.451 ppm2 0.877 CV 1 OR { 4206} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 63 and name HG2%) OR { 4206} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H4B )) ASSI { 4207} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H4A )) 2.800 1.000 1.000 peak 4207 spectrum 1 weight 0.10000E+01 volume 0.26829E-02 ppm1 1.447 ppm2 0.811 CV 1 OR { 4207} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 63 and name HG1%) OR { 4207} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H4B )) ASSI { 4208} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 38 and name HG1%) 2.300 0.700 0.700 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.65265E-02 ppm1 1.451 ppm2 0.929 CV 1 OR { 4208} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 38 and name HG2%) OR { 4208} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H5B )) ASSI { 16} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.100 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.15027E-02 ppm1 8.385 ppm2 2.061 CV 1 OR { 16} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 72} (( segid " " and resid 2 and name HN )) (( segid " " and resid 80 and name HB1 )) 5.300 3.500 0.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.15256E-03 ppm1 8.846 ppm2 2.334 CV 1 OR { 72} (( segid " " and resid 2 and name HN )) (( segid " " and resid 6 and name HG2 )) ASSI { 76} (( segid " " and resid 2 and name HN )) ( segid " " and resid 1 and name HB% ) 2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.47637E-02 ppm1 8.840 ppm2 1.563 CV 1 OR { 76} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HB% ) ASSI { 80} (( segid " " and resid 2 and name HN )) ( segid " " and resid 7 and name HD1%) 4.900 3.000 1.100 peak 80 spectrum 1 weight 0.10000E+01 volume 0.37652E-03 ppm1 8.840 ppm2 0.532 CV 1 OR { 80} (( segid " " and resid 2 and name HN )) ( segid " " and resid 76 and name HG2%) OR { 80} (( segid " " and resid 2 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 87} (( segid " " and resid 2 and name HN )) (( segid " " and resid 3 and name HN )) 5.300 3.600 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.17797E-03 ppm1 8.838 ppm2 8.547 CV 1 OR { 87} (( segid " " and resid 2 and name HN )) (( segid " " and resid 77 and name HN )) ASSI { 104} (( segid " " and resid 3 and name HN )) ( segid " " and resid 2 and name HB% ) 2.300 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.37542E-02 ppm1 8.552 ppm2 1.564 CV 1 OR { 104} (( segid " " and resid 3 and name HN )) (( segid " " and resid 7 and name HG11)) ASSI { 106} (( segid " " and resid 3 and name HN )) ( segid " " and resid 7 and name HD1%) 5.100 3.200 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.28925E-03 ppm1 8.553 ppm2 0.531 CV 1 OR { 106} (( segid " " and resid 3 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 106} (( segid " " and resid 3 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 114} (( segid " " and resid 3 and name HN )) (( segid " " and resid 7 and name HN )) 3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 8.552 ppm2 8.378 CV 1 OR { 114} (( segid " " and resid 3 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 116} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HN )) 4.000 2.000 2.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.74597E-03 ppm1 8.554 ppm2 7.695 CV 1 OR { 116} (( segid " " and resid 3 and name HN )) (( segid " " and resid 80 and name HE22)) OR { 116} (( segid " " and resid 3 and name HN )) (( segid " " and resid 80 and name HE21)) ASSI { 121} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HG1 )) 5.600 3.900 0.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.17004E-03 ppm1 9.238 ppm2 2.494 CV 1 OR { 121} (( segid " " and resid 4 and name HN )) (( segid " " and resid 6 and name HB1 )) ASSI { 125} (( segid " " and resid 4 and name HN )) (( segid " " and resid 7 and name HB )) 5.500 3.700 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.22914E-03 ppm1 9.232 ppm2 1.775 CV 1 OR { 125} (( segid " " and resid 4 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 125} (( segid " " and resid 4 and name HN )) (( segid " " and resid 28 and name HB1 )) OR { 125} (( segid " " and resid 4 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 127} (( segid " " and resid 4 and name HN )) (( segid " " and resid 7 and name HG11)) 5.300 3.500 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.21937E-03 ppm1 9.236 ppm2 1.545 CV 1 OR { 127} (( segid " " and resid 4 and name HN )) ( segid " " and resid 2 and name HB% ) OR { 127} (( segid " " and resid 4 and name HN )) ( segid " " and resid 1 and name HB% ) ASSI { 136} (( segid " " and resid 4 and name HN )) ( segid " " and resid 7 and name HD1%) 4.700 2.700 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.41700E-03 ppm1 9.237 ppm2 0.535 CV 1 OR { 136} (( segid " " and resid 4 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 136} (( segid " " and resid 4 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 149} (( segid " " and resid 4 and name HN )) (( segid " " and resid 7 and name HN )) 5.000 3.200 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.16530E-03 ppm1 9.230 ppm2 8.393 CV 1 OR { 149} (( segid " " and resid 4 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 156} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HN )) 4.800 2.900 1.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.27610E-03 ppm1 8.859 ppm2 8.366 CV 1 OR { 156} (( segid " " and resid 5 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 166} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG1 )) 3.100 1.200 1.200 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12436E-02 ppm1 8.864 ppm2 2.488 CV 1 OR { 166} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB1 )) ASSI { 169} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.700 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.18790E-02 ppm1 8.864 ppm2 2.166 CV 1 OR { 169} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB2 )) OR { 169} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG2 )) ASSI { 170} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.48944E-02 ppm1 8.860 ppm2 2.081 CV 1 OR { 170} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) OR { 170} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HB2 )) ASSI { 171} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.35571E-02 ppm1 8.864 ppm2 2.003 CV 1 OR { 171} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 176} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HG11)) 5.600 3.900 0.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.26336E-03 ppm1 8.863 ppm2 1.538 CV 1 OR { 176} (( segid " " and resid 5 and name HN )) ( segid " " and resid 9 and name HB% ) OR { 176} (( segid " " and resid 5 and name HN )) ( segid " " and resid 2 and name HB% ) ASSI { 177} (( segid " " and resid 5 and name HN )) ( segid " " and resid 7 and name HD1%) 5.700 4.100 0.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.19382E-03 ppm1 8.865 ppm2 0.529 CV 1 OR { 177} (( segid " " and resid 5 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 177} (( segid " " and resid 5 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 181} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 2.600 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.45934E-02 ppm1 7.694 ppm2 2.489 CV 1 OR { 181} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG1 )) ASSI { 184} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.400 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.37079E-02 ppm1 7.695 ppm2 2.102 CV 1 OR { 184} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 185} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.200 1.300 1.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.13139E-02 ppm1 7.694 ppm2 1.984 CV 1 OR { 185} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HB )) ASSI { 186} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HB )) 4.600 2.600 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.38823E-03 ppm1 7.695 ppm2 1.783 CV 1 OR { 186} (( segid " " and resid 6 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 186} (( segid " " and resid 6 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 187} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG11)) 4.400 2.400 1.600 peak 187 spectrum 1 weight 0.10000E+01 volume 0.90259E-03 ppm1 7.694 ppm2 1.540 CV 1 OR { 187} (( segid " " and resid 6 and name HN )) ( segid " " and resid 2 and name HB% ) OR { 187} (( segid " " and resid 6 and name HN )) ( segid " " and resid 9 and name HB% ) ASSI { 189} (( segid " " and resid 6 and name HN )) ( segid " " and resid 7 and name HD1%) 5.400 3.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.32256E-03 ppm1 7.694 ppm2 0.542 CV 1 OR { 189} (( segid " " and resid 6 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 189} (( segid " " and resid 6 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 197} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 3.400 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.94453E-03 ppm1 7.694 ppm2 3.935 CV 1 OR { 197} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 198} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HA )) 4.100 2.100 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.30321E-03 ppm1 7.696 ppm2 3.701 CV 1 OR { 198} (( segid " " and resid 6 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 210} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 2.400 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.42670E-02 ppm1 7.695 ppm2 8.396 CV 1 OR { 210} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 220} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.38859E-02 ppm1 8.400 ppm2 7.693 CV 1 OR { 220} (( segid " " and resid 7 and name HN )) (( segid " " and resid 9 and name HN )) OR { 220} (( segid " " and resid 7 and name HN )) (( segid " " and resid 80 and name HE22)) OR { 220} (( segid " " and resid 7 and name HN )) (( segid " " and resid 80 and name HE21)) ASSI { 222} (( segid " " and resid 7 and name HN )) ( segid " " and resid 54 and name HD% ) 5.300 3.500 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.31301E-03 ppm1 8.393 ppm2 7.517 CV 1 OR { 222} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HE22)) ASSI { 225} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HN )) 5.100 3.300 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.15165E-03 ppm1 8.403 ppm2 9.240 CV 1 OR { 225} (( segid " " and resid 7 and name HN )) (( segid " " and resid 11 and name HN )) ASSI { 228} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HN )) 5.300 3.500 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.24333E-03 ppm1 8.397 ppm2 8.879 CV 1 OR { 228} (( segid " " and resid 7 and name HN )) (( segid " " and resid 2 and name HN )) ASSI { 230} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HE21)) 6.000 5.000 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.52548E-04 ppm1 8.403 ppm2 6.865 CV 1 OR { 230} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD% ) ASSI { 232} (( segid " " and resid 7 and name HN )) (( segid " " and resid 3 and name HA )) 5.400 3.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.13493E-03 ppm1 8.391 ppm2 4.443 CV 1 OR { 232} (( segid " " and resid 7 and name HN )) (( segid " " and resid 80 and name HA )) ASSI { 235} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HA1 )) 6.000 4.800 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.10436E-03 ppm1 8.401 ppm2 4.040 CV 1 OR { 235} (( segid " " and resid 7 and name HN )) (( segid " " and resid 1 and name HA )) ASSI { 236} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.600 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.23174E-02 ppm1 8.401 ppm2 3.885 CV 1 OR { 236} (( segid " " and resid 7 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 238} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HA )) 3.600 1.700 1.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.11095E-02 ppm1 8.399 ppm2 3.704 CV 1 OR { 238} (( segid " " and resid 7 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 246} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB )) 4.400 2.400 1.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.53356E-03 ppm1 8.399 ppm2 2.019 CV 1 OR { 246} (( segid " " and resid 7 and name HN )) (( segid " " and resid 11 and name HG )) OR { 246} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HB2 )) OR { 246} (( segid " " and resid 7 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 248} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.300 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.48843E-02 ppm1 8.400 ppm2 1.784 CV 1 OR { 248} (( segid " " and resid 7 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 251} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HG11)) 2.000 0.500 0.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.46454E-02 ppm1 8.399 ppm2 1.547 CV 1 OR { 251} (( segid " " and resid 7 and name HN )) ( segid " " and resid 2 and name HB% ) ASSI { 257} (( segid " " and resid 7 and name HN )) ( segid " " and resid 8 and name HG1%) 5.900 4.300 0.100 peak 257 spectrum 1 weight 0.10000E+01 volume 0.21599E-03 ppm1 8.400 ppm2 0.925 CV 1 OR { 257} (( segid " " and resid 7 and name HN )) (( segid " " and resid 76 and name HG12)) OR { 257} (( segid " " and resid 7 and name HN )) ( segid " " and resid 56 and name HG1%) ASSI { 258} (( segid " " and resid 7 and name HN )) ( segid " " and resid 77 and name HD2%) 4.800 2.800 1.200 peak 258 spectrum 1 weight 0.10000E+01 volume 0.40555E-03 ppm1 8.400 ppm2 0.824 CV 1 OR { 258} (( segid " " and resid 7 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 258} (( segid " " and resid 7 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 258} (( segid " " and resid 7 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 259} (( segid " " and resid 7 and name HN )) ( segid " " and resid 76 and name HD1%) 6.000 5.300 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.15655E-03 ppm1 8.400 ppm2 0.632 CV 1 OR { 259} (( segid " " and resid 7 and name HN )) ( segid " " and resid 40 and name H6% ) OR { 259} (( segid " " and resid 7 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 260} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HD1%) 3.500 1.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.26656E-02 ppm1 8.400 ppm2 0.540 CV 1 OR { 260} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 260} (( segid " " and resid 7 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 262} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HG2%) 3.500 1.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.17297E-02 ppm1 8.391 ppm2 0.555 CV 1 OR { 262} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 262} (( segid " " and resid 8 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 265} (( segid " " and resid 8 and name HN )) ( segid " " and resid 73 and name HG2%) 3.600 1.600 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 8.388 ppm2 1.127 CV 1 OR { 265} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HG2%) ASSI { 267} (( segid " " and resid 43 and name HN )) ( segid " " and resid 38 and name HG1%) 3.200 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.37521E-02 ppm1 8.380 ppm2 0.912 CV 1 OR { 267} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HG1%) OR { 267} (( segid " " and resid 43 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 267} (( segid " " and resid 43 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 267} (( segid " " and resid 43 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 267} (( segid " " and resid 43 and name HN )) ( segid " " and resid 40 and name H31%) OR { 267} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 267} (( segid " " and resid 43 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 268} (( segid " " and resid 43 and name HN )) ( segid " " and resid 18 and name HD1%) 4.600 2.600 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.60217E-03 ppm1 8.387 ppm2 0.808 CV 1 OR { 268} (( segid " " and resid 8 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 268} (( segid " " and resid 43 and name HN )) ( segid " " and resid 63 and name HG1%) OR { 268} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name H4A )) OR { 268} (( segid " " and resid 8 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 268} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name H4B )) ASSI { 271} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB )) 2.400 0.700 0.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.33244E-02 ppm1 8.391 ppm2 1.782 CV 1 OR { 271} (( segid " " and resid 8 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 276} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.300 1.300 1.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.88505E-03 ppm1 8.389 ppm2 3.703 CV 1 OR { 276} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HA )) OR { 276} (( segid " " and resid 8 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 277} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.36392E-02 ppm1 8.392 ppm2 7.727 CV 1 OR { 277} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HN )) ASSI { 280} (( segid " " and resid 8 and name HN )) (( segid " " and resid 5 and name HN )) 4.000 2.000 2.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.63593E-03 ppm1 8.390 ppm2 8.837 CV 1 OR { 280} (( segid " " and resid 43 and name HN )) (( segid " " and resid 15 and name HN )) OR { 280} (( segid " " and resid 8 and name HN )) (( segid " " and resid 2 and name HN )) ASSI { 284} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HN )) 5.200 3.400 0.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.14376E-03 ppm1 8.393 ppm2 9.232 CV 1 OR { 284} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HN )) ASSI { 290} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.200 0.600 0.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.76058E-02 ppm1 7.729 ppm2 8.391 CV 1 OR { 290} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 311} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HA )) 3.800 1.800 1.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.64954E-03 ppm1 7.729 ppm2 3.933 CV 1 OR { 311} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 312} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HA )) 3.900 1.900 1.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.88684E-03 ppm1 7.729 ppm2 3.896 CV 1 OR { 312} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) OR { 312} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HA2 )) ASSI { 315} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HG1%) 3.300 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.21832E-02 ppm1 7.729 ppm2 0.895 CV 1 OR { 315} (( segid " " and resid 9 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 315} (( segid " " and resid 9 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 317} (( segid " " and resid 9 and name HN )) ( segid " " and resid 26 and name HG1%) 6.000 4.700 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12065E-03 ppm1 7.732 ppm2 0.719 CV 1 OR { 317} (( segid " " and resid 9 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 319} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HG2%) 5.100 3.300 0.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.26114E-03 ppm1 7.729 ppm2 0.558 CV 1 OR { 319} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 319} (( segid " " and resid 9 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 321} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB2 )) 4.100 2.100 1.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.43702E-03 ppm1 7.730 ppm2 2.119 CV 1 OR { 321} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HB1 )) OR { 321} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB1 )) OR { 321} (( segid " " and resid 9 and name HN )) (( segid " " and resid 4 and name HG2 )) ASSI { 325} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HB )) 4.800 2.900 1.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.29882E-03 ppm1 7.721 ppm2 1.768 CV 1 OR { 325} (( segid " " and resid 9 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 327} (( segid " " and resid 9 and name HN )) ( segid " " and resid 2 and name HB% ) 4.800 2.900 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.43978E-03 ppm1 7.727 ppm2 1.609 CV 1 OR { 327} (( segid " " and resid 9 and name HN )) ( segid " " and resid 72 and name HB% ) OR { 327} (( segid " " and resid 9 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 333} (( segid " " and resid 9 and name HN )) (( segid " " and resid 13 and name HG2 )) 4.900 3.000 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.21340E-03 ppm1 7.731 ppm2 2.342 CV 1 OR { 333} (( segid " " and resid 9 and name HN )) (( segid " " and resid 26 and name HB )) OR { 333} (( segid " " and resid 9 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 334} (( segid " " and resid 9 and name HN )) (( segid " " and resid 13 and name HG2 )) 6.000 4.700 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.69608E-04 ppm1 7.732 ppm2 2.280 CV 1 OR { 334} (( segid " " and resid 9 and name HN )) (( segid " " and resid 13 and name HB1 )) OR { 334} (( segid " " and resid 9 and name HN )) (( segid " " and resid 69 and name HB )) OR { 334} (( segid " " and resid 9 and name HN )) (( segid " " and resid 15 and name HB )) ASSI { 335} (( segid " " and resid 10 and name HN )) ( segid " " and resid 7 and name HG2%) 4.600 2.600 1.400 peak 335 spectrum 1 weight 0.10000E+01 volume 0.39224E-03 ppm1 8.388 ppm2 0.557 CV 1 OR { 335} (( segid " " and resid 10 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 335} (( segid " " and resid 10 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 336} (( segid " " and resid 10 and name HN )) ( segid " " and resid 8 and name HG1%) 4.900 3.000 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.49245E-03 ppm1 8.391 ppm2 0.879 CV 1 OR { 336} (( segid " " and resid 10 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 336} (( segid " " and resid 10 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 336} (( segid " " and resid 10 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 340} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HG2 )) 5.000 3.100 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.25554E-03 ppm1 8.388 ppm2 2.303 CV 1 OR { 340} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HB1 )) OR { 340} (( segid " " and resid 10 and name HN )) (( segid " " and resid 26 and name HB )) ASSI { 341} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HB2 )) 5.700 4.000 0.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.22210E-03 ppm1 8.389 ppm2 2.215 CV 1 OR { 341} (( segid " " and resid 10 and name HN )) (( segid " " and resid 15 and name HB )) ASSI { 343} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HG )) 4.400 2.400 1.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.59610E-03 ppm1 8.389 ppm2 2.000 CV 1 OR { 343} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB )) ASSI { 346} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HB )) 5.100 3.200 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.18051E-03 ppm1 8.389 ppm2 1.773 CV 1 OR { 346} (( segid " " and resid 10 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 348} (( segid " " and resid 10 and name HN )) ( segid " " and resid 2 and name HB% ) 5.400 3.700 0.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.21043E-03 ppm1 8.391 ppm2 1.616 CV 1 OR { 348} (( segid " " and resid 10 and name HN )) ( segid " " and resid 72 and name HB% ) OR { 348} (( segid " " and resid 10 and name HN )) (( segid " " and resid 53 and name HB1 )) OR { 348} (( segid " " and resid 10 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 349} (( segid " " and resid 10 and name HN )) ( segid " " and resid 9 and name HB% ) 2.800 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.46696E-02 ppm1 8.390 ppm2 1.520 CV 1 OR { 349} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HG11)) ASSI { 354} (( segid " " and resid 10 and name HN )) ( segid " " and resid 73 and name HG2%) 6.000 4.700 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.13105E-03 ppm1 8.395 ppm2 1.109 CV 1 OR { 354} (( segid " " and resid 10 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 354} (( segid " " and resid 10 and name HN )) ( segid " " and resid 14 and name HG2%) ASSI { 355} (( segid " " and resid 10 and name HN )) ( segid " " and resid 8 and name HG2%) 5.700 4.000 0.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.20303E-03 ppm1 8.390 ppm2 1.038 CV 1 OR { 355} (( segid " " and resid 10 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 355} (( segid " " and resid 10 and name HN )) (( segid " " and resid 14 and name HG12)) OR { 355} (( segid " " and resid 10 and name HN )) ( segid " " and resid 14 and name HG2%) ASSI { 357} (( segid " " and resid 10 and name HN )) ( segid " " and resid 26 and name HG1%) 5.800 4.100 0.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.15559E-03 ppm1 8.385 ppm2 0.730 CV 1 OR { 357} (( segid " " and resid 10 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 359} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.400 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.12608E-02 ppm1 8.390 ppm2 4.229 CV 1 OR { 359} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) ASSI { 361} (( segid " " and resid 10 and name HN )) (( segid " " and resid 5 and name HA )) 4.700 2.800 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.38755E-03 ppm1 8.388 ppm2 3.963 CV 1 OR { 361} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HA )) OR { 361} (( segid " " and resid 10 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 362} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA2 )) 2.500 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.63616E-02 ppm1 8.390 ppm2 3.875 CV 1 OR { 362} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 366} (( segid " " and resid 10 and name HN )) (( segid " " and resid 14 and name HN )) 3.900 3.900 2.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.14027E-02 ppm1 8.390 ppm2 8.216 CV 1 OR { 366} (( segid " " and resid 10 and name HN )) (( segid " " and resid 53 and name HN )) ASSI { 388} (( segid " " and resid 11 and name HN )) (( segid " " and resid 15 and name HN )) 6.000 4.800 0.000 peak 388 spectrum 1 weight 0.10000E+01 volume 0.74880E-04 ppm1 9.237 ppm2 8.822 CV 1 OR { 388} (( segid " " and resid 11 and name HN )) (( segid " " and resid 50 and name HN )) OR { 388} (( segid " " and resid 11 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 394} (( segid " " and resid 11 and name HN )) (( segid " " and resid 14 and name HN )) 4.600 2.600 1.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.24427E-03 ppm1 9.236 ppm2 8.204 CV 1 OR { 394} (( segid " " and resid 11 and name HN )) (( segid " " and resid 53 and name HN )) ASSI { 408} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.26886E-02 ppm1 9.235 ppm2 4.252 CV 1 OR { 408} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 410} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA1 )) 3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 9.236 ppm2 4.061 CV 1 OR { 410} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 411} (( segid " " and resid 11 and name HN )) (( segid " " and resid 50 and name HA )) 5.200 3.400 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.22645E-03 ppm1 9.233 ppm2 3.960 CV 1 OR { 411} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HA )) OR { 411} (( segid " " and resid 11 and name HN )) (( segid " " and resid 53 and name HA )) OR { 411} (( segid " " and resid 11 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 412} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA2 )) 3.300 1.300 1.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.21665E-02 ppm1 9.236 ppm2 3.878 CV 1 OR { 412} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 418} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HG2 )) 5.000 3.100 1.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.19922E-03 ppm1 9.236 ppm2 2.308 CV 1 OR { 418} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HB1 )) OR { 418} (( segid " " and resid 11 and name HN )) (( segid " " and resid 26 and name HB )) OR { 418} (( segid " " and resid 11 and name HN )) (( segid " " and resid 46 and name HB )) ASSI { 419} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HB2 )) 5.500 3.800 0.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.26175E-03 ppm1 9.231 ppm2 2.227 CV 1 OR { 419} (( segid " " and resid 11 and name HN )) (( segid " " and resid 15 and name HB )) OR { 419} (( segid " " and resid 11 and name HN )) (( segid " " and resid 40 and name H2A )) OR { 419} (( segid " " and resid 11 and name HN )) (( segid " " and resid 40 and name H2B )) ASSI { 426} (( segid " " and resid 11 and name HN )) ( segid " " and resid 9 and name HB% ) 4.200 2.200 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.59034E-03 ppm1 9.236 ppm2 1.521 CV 1 OR { 426} (( segid " " and resid 11 and name HN )) ( segid " " and resid 50 and name HB% ) OR { 426} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HG11)) OR { 426} (( segid " " and resid 11 and name HN )) ( segid " " and resid 2 and name HB% ) OR { 426} (( segid " " and resid 11 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 432} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD2%) 3.600 1.600 1.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.20467E-02 ppm1 9.234 ppm2 0.867 CV 1 OR { 432} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 432} (( segid " " and resid 11 and name HN )) ( segid " " and resid 8 and name HG1%) ASSI { 433} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD1%) 4.300 2.300 1.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.58600E-03 ppm1 9.234 ppm2 0.740 CV 1 OR { 433} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HG1%) ASSI { 434} (( segid " " and resid 11 and name HN )) ( segid " " and resid 46 and name HG1%) 5.200 3.400 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.38013E-03 ppm1 9.236 ppm2 0.640 CV 1 OR { 434} (( segid " " and resid 11 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 434} (( segid " " and resid 11 and name HN )) ( segid " " and resid 40 and name H6% ) OR { 434} (( segid " " and resid 11 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 438} (( segid " " and resid 12 and name HN )) (( segid " " and resid 26 and name HB )) 4.600 2.600 1.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.49551E-03 ppm1 8.922 ppm2 2.322 CV 1 OR { 438} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HG2 )) OR { 438} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 439} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HB )) 5.300 3.500 0.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.30345E-03 ppm1 8.926 ppm2 2.223 CV 1 OR { 439} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 441} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG )) 4.400 2.400 1.600 peak 441 spectrum 1 weight 0.10000E+01 volume 0.59646E-03 ppm1 8.920 ppm2 2.002 CV 1 OR { 441} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HG11)) ASSI { 444} (( segid " " and resid 12 and name HN )) ( segid " " and resid 9 and name HB% ) 4.400 2.400 1.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.45870E-03 ppm1 8.921 ppm2 1.519 CV 1 OR { 444} (( segid " " and resid 12 and name HN )) ( segid " " and resid 50 and name HB% ) OR { 444} (( segid " " and resid 12 and name HN )) ( segid " " and resid 49 and name HB% ) OR { 444} (( segid " " and resid 12 and name HN )) ( segid " " and resid 19 and name HB% ) OR { 444} (( segid " " and resid 12 and name HN )) (( segid " " and resid 7 and name HG11)) OR { 444} (( segid " " and resid 12 and name HN )) (( segid " " and resid 36 and name HG )) ASSI { 448} (( segid " " and resid 12 and name HN )) ( segid " " and resid 8 and name HG2%) 5.400 3.600 0.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.25148E-03 ppm1 8.928 ppm2 1.065 CV 1 OR { 448} (( segid " " and resid 12 and name HN )) ( segid " " and resid 14 and name HG2%) OR { 448} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HG12)) OR { 448} (( segid " " and resid 12 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 449} (( segid " " and resid 12 and name HN )) ( segid " " and resid 8 and name HG2%) 5.100 3.200 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.41863E-03 ppm1 8.920 ppm2 1.027 CV 1 OR { 449} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG1%) OR { 449} (( segid " " and resid 12 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 449} (( segid " " and resid 12 and name HN )) ( segid " " and resid 14 and name HG2%) OR { 449} (( segid " " and resid 12 and name HN )) ( segid " " and resid 21 and name HG2%) OR { 449} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 450} (( segid " " and resid 12 and name HN )) ( segid " " and resid 8 and name HG2%) 5.200 3.400 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.34457E-03 ppm1 8.927 ppm2 0.997 CV 1 OR { 450} (( segid " " and resid 12 and name HN )) ( segid " " and resid 23 and name HG2%) OR { 450} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG1%) OR { 450} (( segid " " and resid 12 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 450} (( segid " " and resid 12 and name HN )) ( segid " " and resid 21 and name HG2%) OR { 450} (( segid " " and resid 12 and name HN )) (( segid " " and resid 40 and name H5A )) OR { 450} (( segid " " and resid 12 and name HN )) ( segid " " and resid 23 and name HG1%) ASSI { 451} (( segid " " and resid 12 and name HN )) ( segid " " and resid 8 and name HG1%) 4.000 2.000 2.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 8.920 ppm2 0.908 CV 1 OR { 451} (( segid " " and resid 12 and name HN )) ( segid " " and resid 26 and name HG2%) OR { 451} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 454} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.18164E-02 ppm1 8.922 ppm2 4.232 CV 1 OR { 454} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 455} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.600 0.800 0.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.29603E-02 ppm1 8.921 ppm2 4.056 CV 1 OR { 455} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA1 )) ASSI { 456} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HA )) 5.000 3.200 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.34986E-03 ppm1 8.921 ppm2 3.945 CV 1 OR { 456} (( segid " " and resid 12 and name HN )) (( segid " " and resid 50 and name HA )) OR { 456} (( segid " " and resid 12 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 457} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HA2 )) 5.000 3.100 1.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.27817E-03 ppm1 8.926 ppm2 3.882 CV 1 OR { 457} (( segid " " and resid 12 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 458} (( segid " " and resid 12 and name HN )) (( segid " " and resid 23 and name HA )) 6.000 5.100 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.14924E-03 ppm1 8.919 ppm2 3.569 CV 1 OR { 458} (( segid " " and resid 12 and name HN )) (( segid " " and resid 26 and name HA )) OR { 458} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 459} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HA )) 3.800 1.800 1.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.58783E-03 ppm1 8.921 ppm2 3.385 CV 1 OR { 459} (( segid " " and resid 12 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 462} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HN )) 4.000 2.000 2.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.79384E-03 ppm1 8.920 ppm2 8.399 CV 1 OR { 462} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 470} (( segid " " and resid 12 and name HN )) (( segid " " and resid 9 and name HN )) 4.500 2.500 1.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.39219E-03 ppm1 8.923 ppm2 7.744 CV 1 OR { 470} (( segid " " and resid 12 and name HN )) (( segid " " and resid 25 and name HN )) ASSI { 475} (( segid " " and resid 12 and name HN )) ( segid " " and resid 26 and name HG1%) 3.200 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.12492E-02 ppm1 8.922 ppm2 0.738 CV 1 OR { 475} (( segid " " and resid 12 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 476} (( segid " " and resid 13 and name HN )) ( segid " " and resid 26 and name HG1%) 5.100 3.200 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.45314E-03 ppm1 7.929 ppm2 0.742 CV 1 OR { 476} (( segid " " and resid 13 and name HN )) ( segid " " and resid 14 and name HD1%) OR { 476} (( segid " " and resid 48 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 479} (( segid " " and resid 75 and name HN )) ( segid " " and resid 72 and name HB% ) 4.800 2.900 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.34843E-03 ppm1 7.925 ppm2 1.593 CV 1 OR { 479} (( segid " " and resid 13 and name HN )) (( segid " " and resid 21 and name HB )) OR { 479} (( segid " " and resid 75 and name HN )) (( segid " " and resid 77 and name HG )) OR { 479} (( segid " " and resid 75 and name HN )) (( segid " " and resid 7 and name HG11)) OR { 479} (( segid " " and resid 75 and name HN )) ( segid " " and resid 2 and name HB% ) OR { 479} (( segid " " and resid 13 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 480} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 4.100 2.100 1.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.89510E-03 ppm1 7.919 ppm2 1.519 CV 1 OR { 480} (( segid " " and resid 13 and name HN )) ( segid " " and resid 9 and name HB% ) OR { 480} (( segid " " and resid 48 and name HN )) ( segid " " and resid 50 and name HB% ) OR { 480} (( segid " " and resid 75 and name HN )) (( segid " " and resid 58 and name HG11)) OR { 480} (( segid " " and resid 13 and name HN )) ( segid " " and resid 50 and name HB% ) OR { 480} (( segid " " and resid 13 and name HN )) ( segid " " and resid 49 and name HB% ) OR { 480} (( segid " " and resid 75 and name HN )) (( segid " " and resid 7 and name HG11)) ASSI { 481} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HB )) 4.000 2.000 2.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.99464E-03 ppm1 7.924 ppm2 2.119 CV 1 OR { 481} (( segid " " and resid 75 and name HN )) (( segid " " and resid 66 and name HB1 )) OR { 481} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB1 )) OR { 481} (( segid " " and resid 48 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 482} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG2 )) 2.300 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.67425E-02 ppm1 7.927 ppm2 2.302 CV 1 OR { 482} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) OR { 482} (( segid " " and resid 13 and name HN )) (( segid " " and resid 26 and name HB )) ASSI { 483} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB )) 2.400 0.700 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.49570E-02 ppm1 7.921 ppm2 2.222 CV 1 OR { 483} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 486} (( segid " " and resid 13 and name HN )) (( segid " " and resid 16 and name HB2 )) 4.900 3.000 1.100 peak 486 spectrum 1 weight 0.10000E+01 volume 0.30091E-03 ppm1 7.926 ppm2 2.720 CV 1 OR { 486} (( segid " " and resid 13 and name HN )) (( segid " " and resid 53 and name HD2 )) OR { 486} (( segid " " and resid 48 and name HN )) (( segid " " and resid 53 and name HD2 )) OR { 486} (( segid " " and resid 75 and name HN )) (( segid " " and resid 80 and name HG1 )) OR { 486} (( segid " " and resid 13 and name HN )) (( segid " " and resid 25 and name HB1 )) OR { 486} (( segid " " and resid 75 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 488} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) 2.900 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.27591E-02 ppm1 7.924 ppm2 4.055 CV 1 OR { 488} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) OR { 488} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA1 )) ASSI { 490} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA2 )) 4.000 2.000 2.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.60688E-03 ppm1 7.926 ppm2 3.856 CV 1 OR { 490} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 500} (( segid " " and resid 13 and name HN )) (( segid " " and resid 16 and name HD22)) 3.100 1.200 1.200 peak 500 spectrum 1 weight 0.10000E+01 volume 0.37351E-02 ppm1 7.923 ppm2 8.095 CV 1 OR { 500} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 508} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HN )) 4.000 2.000 2.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.71774E-03 ppm1 7.923 ppm2 8.822 CV 1 OR { 508} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HN )) OR { 508} (( segid " " and resid 48 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 509} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HN )) 4.100 2.100 1.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.84536E-03 ppm1 7.927 ppm2 8.663 CV 1 OR { 509} (( segid " " and resid 13 and name HN )) (( segid " " and resid 16 and name HN )) OR { 509} (( segid " " and resid 48 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 519} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.12642E-02 ppm1 8.182 ppm2 7.837 CV 1 OR { 519} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HN )) ASSI { 560} (( segid " " and resid 72 and name HN )) (( segid " " and resid 40 and name H4B )) 4.300 2.300 1.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.69193E-03 ppm1 8.184 ppm2 0.862 CV 1 OR { 560} (( segid " " and resid 72 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 560} (( segid " " and resid 72 and name HN )) (( segid " " and resid 40 and name H4A )) ASSI { 565} (( segid " " and resid 72 and name HN )) ( segid " " and resid 66 and name HD2%) 3.600 1.700 1.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.12213E-02 ppm1 8.183 ppm2 0.607 CV 1 OR { 565} (( segid " " and resid 72 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 566} (( segid " " and resid 72 and name HN )) ( segid " " and resid 66 and name HD1%) 4.100 2.100 1.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.92735E-03 ppm1 8.182 ppm2 0.422 CV 1 OR { 566} (( segid " " and resid 72 and name HN )) ( segid " " and resid 69 and name HG1%) ASSI { 568} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 4.900 3.000 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.26843E-03 ppm1 8.810 ppm2 3.957 CV 1 OR { 568} (( segid " " and resid 15 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 568} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HA )) OR { 568} (( segid " " and resid 15 and name HN )) (( segid " " and resid 43 and name HA )) OR { 568} (( segid " " and resid 15 and name HN )) (( segid " " and resid 20 and name HA2 )) OR { 568} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 569} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 4.700 2.800 1.300 peak 569 spectrum 1 weight 0.10000E+01 volume 0.30816E-03 ppm1 8.812 ppm2 3.928 CV 1 OR { 569} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HA )) OR { 569} (( segid " " and resid 15 and name HN )) (( segid " " and resid 43 and name HA )) OR { 569} (( segid " " and resid 15 and name HN )) (( segid " " and resid 20 and name HA2 )) OR { 569} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HA )) OR { 569} (( segid " " and resid 15 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 571} (( segid " " and resid 15 and name HN )) (( segid " " and resid 42 and name HB2 )) 6.000 4.800 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.93247E-04 ppm1 8.808 ppm2 3.688 CV 1 OR { 571} (( segid " " and resid 15 and name HN )) (( segid " " and resid 22 and name HD2 )) ASSI { 574} (( segid " " and resid 15 and name HN )) (( segid " " and resid 46 and name HA )) 6.000 5.900 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.16596E-03 ppm1 8.807 ppm2 3.429 CV 1 OR { 574} (( segid " " and resid 15 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 575} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB1 )) 5.700 4.100 0.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.27216E-03 ppm1 8.810 ppm2 3.112 CV 1 OR { 575} (( segid " " and resid 15 and name HN )) (( segid " " and resid 32 and name HB1 )) OR { 575} (( segid " " and resid 15 and name HN )) (( segid " " and resid 32 and name HB2 )) ASSI { 576} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HB2 )) 4.800 2.900 1.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.32538E-03 ppm1 8.807 ppm2 2.748 CV 1 OR { 576} (( segid " " and resid 15 and name HN )) (( segid " " and resid 53 and name HD2 )) ASSI { 578} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HG2 )) 4.700 2.700 1.300 peak 578 spectrum 1 weight 0.10000E+01 volume 0.33655E-03 ppm1 8.811 ppm2 2.336 CV 1 OR { 578} (( segid " " and resid 15 and name HN )) (( segid " " and resid 46 and name HB )) OR { 578} (( segid " " and resid 15 and name HN )) (( segid " " and resid 26 and name HB )) OR { 578} (( segid " " and resid 15 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 578} (( segid " " and resid 15 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 578} (( segid " " and resid 15 and name HN )) (( segid " " and resid 43 and name HG1 )) ASSI { 579} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 2.300 0.700 0.700 peak 579 spectrum 1 weight 0.10000E+01 volume 0.49994E-02 ppm1 8.811 ppm2 2.247 CV 1 OR { 579} (( segid " " and resid 15 and name HN )) (( segid " " and resid 46 and name HB )) OR { 579} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HG2 )) ASSI { 580} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB )) 2.400 0.700 0.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 8.811 ppm2 2.100 CV 1 OR { 580} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 585} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HG11)) 5.100 3.200 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.27330E-03 ppm1 8.814 ppm2 1.628 CV 1 OR { 585} (( segid " " and resid 15 and name HN )) (( segid " " and resid 21 and name HB )) OR { 585} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HB )) OR { 585} (( segid " " and resid 15 and name HN )) ( segid " " and resid 72 and name HB% ) ASSI { 586} (( segid " " and resid 15 and name HN )) ( segid " " and resid 19 and name HB% ) 5.500 3.700 0.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.35362E-03 ppm1 8.809 ppm2 1.539 CV 1 OR { 586} (( segid " " and resid 15 and name HN )) ( segid " " and resid 49 and name HB% ) OR { 586} (( segid " " and resid 15 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 587} (( segid " " and resid 15 and name HN )) ( segid " " and resid 50 and name HB% ) 6.000 4.600 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.11695E-03 ppm1 8.813 ppm2 1.482 CV 1 OR { 587} (( segid " " and resid 15 and name HN )) ( segid " " and resid 43 and name HE% ) OR { 587} (( segid " " and resid 15 and name HN )) (( segid " " and resid 36 and name HG )) ASSI { 589} (( segid " " and resid 15 and name HN )) (( segid " " and resid 21 and name HG11)) 6.000 4.500 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.21708E-03 ppm1 8.811 ppm2 1.338 CV 1 OR { 589} (( segid " " and resid 15 and name HN )) (( segid " " and resid 21 and name HG12)) OR { 589} (( segid " " and resid 15 and name HN )) (( segid " " and resid 18 and name HG12)) ASSI { 593} (( segid " " and resid 15 and name HN )) ( segid " " and resid 46 and name HG2%) 3.400 1.500 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.21507E-02 ppm1 8.811 ppm2 1.005 CV 1 OR { 593} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG1%) OR { 593} (( segid " " and resid 15 and name HN )) ( segid " " and resid 21 and name HG2%) ASSI { 594} (( segid " " and resid 15 and name HN )) ( segid " " and resid 26 and name HG2%) 4.500 2.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.72454E-03 ppm1 8.811 ppm2 0.919 CV 1 OR { 594} (( segid " " and resid 15 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 594} (( segid " " and resid 15 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 594} (( segid " " and resid 15 and name HN )) (( segid " " and resid 40 and name H5A )) OR { 594} (( segid " " and resid 15 and name HN )) ( segid " " and resid 8 and name HG1%) OR { 594} (( segid " " and resid 15 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 596} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HD1%) 4.300 2.300 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.95407E-03 ppm1 8.809 ppm2 0.751 CV 1 OR { 596} (( segid " " and resid 15 and name HN )) ( segid " " and resid 18 and name HD1%) OR { 596} (( segid " " and resid 15 and name HN )) ( segid " " and resid 26 and name HG1%) ASSI { 598} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HA )) 3.700 1.700 1.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.72080E-03 ppm1 8.810 ppm2 4.249 CV 1 OR { 598} (( segid " " and resid 15 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 601} (( segid " " and resid 15 and name HN )) (( segid " " and resid 19 and name HN )) 4.400 2.400 1.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.61332E-03 ppm1 8.812 ppm2 8.525 CV 1 OR { 601} (( segid " " and resid 15 and name HN )) (( segid " " and resid 23 and name HN )) ASSI { 602} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HN )) 6.000 5.300 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.22509E-04 ppm1 8.810 ppm2 8.353 CV 1 OR { 602} (( segid " " and resid 15 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 605} (( segid " " and resid 15 and name HN )) (( segid " " and resid 16 and name HD22)) 4.400 2.400 1.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.61989E-03 ppm1 8.811 ppm2 8.079 CV 1 OR { 605} (( segid " " and resid 15 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 614} (( segid " " and resid 16 and name HN )) (( segid " " and resid 19 and name HN )) 3.600 1.600 1.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.15848E-02 ppm1 8.694 ppm2 8.522 CV 1 OR { 614} (( segid " " and resid 16 and name HN )) (( segid " " and resid 23 and name HN )) ASSI { 618} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HN )) 3.700 1.700 1.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.97942E-03 ppm1 8.693 ppm2 8.182 CV 1 OR { 618} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 631} (( segid " " and resid 16 and name HN )) (( segid " " and resid 22 and name HA )) 5.900 4.300 0.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.10434E-03 ppm1 8.693 ppm2 4.279 CV 1 OR { 631} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HA )) ASSI { 633} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HA )) 3.700 1.700 1.700 peak 633 spectrum 1 weight 0.10000E+01 volume 0.79699E-03 ppm1 8.692 ppm2 4.048 CV 1 OR { 633} (( segid " " and resid 16 and name HN )) (( segid " " and resid 20 and name HA1 )) ASSI { 634} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.300 1.400 1.400 peak 634 spectrum 1 weight 0.10000E+01 volume 0.19014E-02 ppm1 8.694 ppm2 3.941 CV 1 OR { 634} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HA )) OR { 634} (( segid " " and resid 16 and name HN )) (( segid " " and resid 20 and name HA2 )) OR { 634} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 637} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.400 1.400 1.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.12712E-02 ppm1 8.694 ppm2 3.600 CV 1 OR { 637} (( segid " " and resid 16 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 651} (( segid " " and resid 16 and name HN )) (( segid " " and resid 26 and name HB )) 5.300 3.500 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.22275E-03 ppm1 8.694 ppm2 2.337 CV 1 OR { 651} (( segid " " and resid 16 and name HN )) (( segid " " and resid 22 and name HB1 )) OR { 651} (( segid " " and resid 16 and name HN )) (( segid " " and resid 46 and name HB )) OR { 651} (( segid " " and resid 16 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 652} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.28626E-02 ppm1 8.694 ppm2 2.251 CV 1 OR { 652} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG2 )) OR { 652} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB1 )) ASSI { 653} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB2 )) 4.600 2.700 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.46016E-03 ppm1 8.692 ppm2 2.121 CV 1 OR { 653} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HB )) OR { 653} (( segid " " and resid 16 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 654} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HG11)) 5.300 3.500 0.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.11593E-03 ppm1 8.692 ppm2 2.004 CV 1 OR { 654} (( segid " " and resid 16 and name HN )) (( segid " " and resid 23 and name HB )) OR { 654} (( segid " " and resid 16 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 656} (( segid " " and resid 16 and name HN )) ( segid " " and resid 12 and name HB% ) 4.800 2.900 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.42410E-03 ppm1 8.693 ppm2 1.660 CV 1 OR { 656} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HB )) OR { 656} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 657} (( segid " " and resid 16 and name HN )) ( segid " " and resid 19 and name HB% ) 5.600 4.000 0.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.16254E-03 ppm1 8.693 ppm2 1.530 CV 1 OR { 657} (( segid " " and resid 16 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 658} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HG11)) 6.000 4.500 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.15759E-03 ppm1 8.693 ppm2 1.352 CV 1 OR { 658} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HG12)) OR { 658} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HG12)) ASSI { 659} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HG11)) 6.000 4.600 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.14982E-03 ppm1 8.691 ppm2 1.278 CV 1 OR { 659} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HG12)) OR { 659} (( segid " " and resid 16 and name HN )) (( segid " " and resid 11 and name HB2 )) OR { 659} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HG12)) ASSI { 662} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG1%) 3.300 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.24852E-02 ppm1 8.693 ppm2 0.998 CV 1 OR { 662} (( segid " " and resid 16 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 662} (( segid " " and resid 16 and name HN )) ( segid " " and resid 21 and name HG2%) OR { 662} (( segid " " and resid 16 and name HN )) ( segid " " and resid 23 and name HG1%) ASSI { 663} (( segid " " and resid 16 and name HN )) ( segid " " and resid 18 and name HD1%) 5.700 4.100 0.300 peak 663 spectrum 1 weight 0.10000E+01 volume 0.18306E-03 ppm1 8.693 ppm2 0.833 CV 1 OR { 663} (( segid " " and resid 16 and name HN )) ( segid " " and resid 21 and name HD1%) OR { 663} (( segid " " and resid 16 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 663} (( segid " " and resid 16 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 664} (( segid " " and resid 16 and name HN )) ( segid " " and resid 26 and name HG1%) 5.400 3.700 0.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.32171E-03 ppm1 8.692 ppm2 0.752 CV 1 OR { 664} (( segid " " and resid 16 and name HN )) ( segid " " and resid 18 and name HD1%) OR { 664} (( segid " " and resid 16 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 668} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 2.600 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.82860E-02 ppm1 8.363 ppm2 2.263 CV 1 OR { 668} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) OR { 668} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG1 )) OR { 668} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 668} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB )) OR { 668} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HB )) ASSI { 670} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HG )) 4.800 2.900 1.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.28877E-03 ppm1 8.358 ppm2 1.731 CV 1 OR { 670} (( segid " " and resid 17 and name HN )) ( segid " " and resid 12 and name HB% ) OR { 670} (( segid " " and resid 17 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 671} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HG11)) 4.000 2.000 2.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.10182E-02 ppm1 8.364 ppm2 1.636 CV 1 OR { 671} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB )) OR { 671} (( segid " " and resid 43 and name HN )) (( segid " " and resid 18 and name HB )) ASSI { 672} (( segid " " and resid 43 and name HN )) ( segid " " and resid 19 and name HB% ) 4.200 2.300 1.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.46450E-03 ppm1 8.360 ppm2 1.539 CV 1 OR { 672} (( segid " " and resid 17 and name HN )) ( segid " " and resid 19 and name HB% ) OR { 672} (( segid " " and resid 17 and name HN )) ( segid " " and resid 49 and name HB% ) OR { 672} (( segid " " and resid 43 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 674} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HG12)) 6.000 5.200 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.15038E-03 ppm1 8.367 ppm2 1.321 CV 1 OR { 674} (( segid " " and resid 43 and name HN )) ( segid " " and resid 33 and name HG2%) OR { 674} (( segid " " and resid 17 and name HN )) (( segid " " and resid 21 and name HG12)) ASSI { 675} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HG2%) 5.200 3.400 0.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.24020E-03 ppm1 8.360 ppm2 1.161 CV 1 OR { 675} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG2%) OR { 675} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name H3B )) ASSI { 676} (( segid " " and resid 43 and name HN )) ( segid " " and resid 38 and name HG1%) 3.500 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14684E-02 ppm1 8.366 ppm2 0.982 CV 1 OR { 676} (( segid " " and resid 43 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 676} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG1%) OR { 676} (( segid " " and resid 43 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 676} (( segid " " and resid 43 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 676} (( segid " " and resid 17 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 676} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 676} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name H5B )) OR { 676} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HG1%) ASSI { 677} (( segid " " and resid 43 and name HN )) ( segid " " and resid 18 and name HD1%) 5.200 3.400 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.27382E-03 ppm1 8.365 ppm2 0.762 CV 1 OR { 677} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HD1%) OR { 677} (( segid " " and resid 17 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 688} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.400 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.64835E-02 ppm1 8.362 ppm2 3.935 CV 1 OR { 688} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) OR { 688} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 688} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 691} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.900 1.900 1.900 peak 691 spectrum 1 weight 0.10000E+01 volume 0.57956E-03 ppm1 8.363 ppm2 3.598 CV 1 OR { 691} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 692} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HA )) 3.200 1.300 1.300 peak 692 spectrum 1 weight 0.10000E+01 volume 0.14976E-02 ppm1 8.372 ppm2 4.142 CV 1 OR { 692} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HA )) OR { 692} (( segid " " and resid 8 and name HN )) (( segid " " and resid 73 and name HB )) ASSI { 693} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.200 1.300 1.300 peak 693 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 8.365 ppm2 4.292 CV 1 OR { 693} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) OR { 693} (( segid " " and resid 17 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 694} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.50593E-02 ppm1 8.369 ppm2 3.975 CV 1 OR { 694} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) OR { 694} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 694} (( segid " " and resid 8 and name HN )) (( segid " " and resid 5 and name HA )) OR { 694} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 699} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 4.500 2.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.33166E-03 ppm1 8.360 ppm2 6.988 CV 1 OR { 699} (( segid " " and resid 43 and name HN )) ( segid " " and resid 32 and name HE% ) OR { 699} (( segid " " and resid 17 and name HN )) ( segid " " and resid 32 and name HE% ) ASSI { 714} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.34632E-02 ppm1 8.205 ppm2 3.933 CV 1 OR { 714} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) OR { 714} (( segid " " and resid 18 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 723} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.700 1.700 1.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.19040E-02 ppm1 8.205 ppm2 2.259 CV 1 OR { 723} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG2 )) OR { 723} (( segid " " and resid 18 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 724} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.800 1.000 1.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.21666E-02 ppm1 8.205 ppm2 2.139 CV 1 OR { 724} (( segid " " and resid 18 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 737} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HG2%) 3.700 1.800 1.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.20307E-02 ppm1 8.203 ppm2 0.959 CV 1 OR { 737} (( segid " " and resid 18 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 737} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 760} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HA )) 4.800 2.900 1.200 peak 760 spectrum 1 weight 0.10000E+01 volume 0.23506E-03 ppm1 8.515 ppm2 4.701 CV 1 OR { 760} (( segid " " and resid 19 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 764} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA1 )) 4.900 3.000 1.100 peak 764 spectrum 1 weight 0.10000E+01 volume 0.46322E-03 ppm1 8.516 ppm2 4.059 CV 1 OR { 764} (( segid " " and resid 19 and name HN )) (( segid " " and resid 12 and name HA )) OR { 764} (( segid " " and resid 19 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 765} (( segid " " and resid 19 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.100 1.200 1.200 peak 765 spectrum 1 weight 0.10000E+01 volume 0.17202E-02 ppm1 8.516 ppm2 3.939 CV 1 OR { 765} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) OR { 765} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA2 )) OR { 765} (( segid " " and resid 19 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 770} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HB )) 4.800 2.800 1.200 peak 770 spectrum 1 weight 0.10000E+01 volume 0.44598E-03 ppm1 8.516 ppm2 2.262 CV 1 OR { 770} (( segid " " and resid 19 and name HN )) (( segid " " and resid 46 and name HB )) OR { 770} (( segid " " and resid 19 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 770} (( segid " " and resid 19 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 770} (( segid " " and resid 19 and name HN )) (( segid " " and resid 45 and name HG2 )) OR { 770} (( segid " " and resid 19 and name HN )) (( segid " " and resid 44 and name HB )) ASSI { 771} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HB2 )) 5.300 3.600 0.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.19539E-03 ppm1 8.510 ppm2 2.144 CV 1 OR { 771} (( segid " " and resid 19 and name HN )) (( segid " " and resid 45 and name HB2 )) OR { 771} (( segid " " and resid 19 and name HN )) (( segid " " and resid 14 and name HB )) ASSI { 778} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG12)) 5.000 3.100 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.51442E-03 ppm1 8.514 ppm2 1.299 CV 1 OR { 778} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HG11)) OR { 778} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HG12)) ASSI { 781} (( segid " " and resid 19 and name HN )) ( segid " " and resid 15 and name HG1%) 4.300 2.300 1.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.28327E-03 ppm1 8.512 ppm2 1.044 CV 1 OR { 781} (( segid " " and resid 19 and name HN )) ( segid " " and resid 14 and name HG2%) ASSI { 782} (( segid " " and resid 19 and name HN )) ( segid " " and resid 15 and name HG1%) 3.400 1.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.18456E-02 ppm1 8.517 ppm2 0.963 CV 1 OR { 782} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 782} (( segid " " and resid 19 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 782} (( segid " " and resid 19 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 787} (( segid " " and resid 19 and name HN )) (( segid " " and resid 46 and name HN )) 5.000 3.200 1.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.56097E-03 ppm1 8.513 ppm2 8.087 CV 1 OR { 787} (( segid " " and resid 19 and name HN )) (( segid " " and resid 41 and name HN )) OR { 787} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HD22)) OR { 787} (( segid " " and resid 19 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 798} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HN )) 3.600 1.600 1.600 peak 798 spectrum 1 weight 0.10000E+01 volume 0.18452E-02 ppm1 8.516 ppm2 8.321 CV 1 OR { 798} (( segid " " and resid 19 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 811} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA1 )) 3.500 1.500 1.500 peak 811 spectrum 1 weight 0.10000E+01 volume 0.12978E-02 ppm1 6.456 ppm2 4.059 CV 1 OR { 811} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HD1 )) ASSI { 812} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA2 )) 3.500 1.500 1.500 peak 812 spectrum 1 weight 0.10000E+01 volume 0.12732E-02 ppm1 6.457 ppm2 3.945 CV 1 OR { 812} (( segid " " and resid 21 and name HN )) (( segid " " and resid 38 and name HA )) OR { 812} (( segid " " and resid 21 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 813} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HD2 )) 5.700 4.100 0.300 peak 813 spectrum 1 weight 0.10000E+01 volume 0.26110E-03 ppm1 6.453 ppm2 3.699 CV 1 OR { 813} (( segid " " and resid 21 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 815} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HB1 )) 5.000 3.100 1.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.33481E-03 ppm1 6.457 ppm2 3.107 CV 1 OR { 815} (( segid " " and resid 21 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 816} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HB2 )) 5.400 3.700 0.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.30441E-03 ppm1 6.459 ppm2 2.753 CV 1 OR { 816} (( segid " " and resid 21 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 818} (( segid " " and resid 21 and name HN )) (( segid " " and resid 36 and name HB1 )) 6.000 5.500 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.12524E-03 ppm1 6.446 ppm2 2.334 CV 1 OR { 818} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB1 )) OR { 818} (( segid " " and resid 21 and name HN )) (( segid " " and resid 26 and name HB )) ASSI { 820} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG1 )) 6.000 5.500 0.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.60633E-04 ppm1 6.464 ppm2 2.162 CV 1 OR { 820} (( segid " " and resid 21 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 821} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG1 )) 5.700 4.100 0.300 peak 821 spectrum 1 weight 0.10000E+01 volume 0.14669E-03 ppm1 6.461 ppm2 2.095 CV 1 OR { 821} (( segid " " and resid 21 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 823} (( segid " " and resid 21 and name HN )) (( segid " " and resid 38 and name HB )) 6.000 5.900 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.77173E-04 ppm1 6.451 ppm2 1.930 CV 1 OR { 823} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG2 )) ASSI { 826} (( segid " " and resid 21 and name HN )) ( segid " " and resid 12 and name HB% ) 6.000 4.500 0.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.17427E-03 ppm1 6.449 ppm2 1.712 CV 1 OR { 826} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 827} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB )) 2.400 0.700 0.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.53690E-02 ppm1 6.457 ppm2 1.615 CV 1 OR { 827} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HB )) OR { 827} (( segid " " and resid 21 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 833} (( segid " " and resid 21 and name HN )) ( segid " " and resid 15 and name HG1%) 2.700 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.27878E-02 ppm1 6.454 ppm2 1.006 CV 1 OR { 833} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HG2%) ASSI { 834} (( segid " " and resid 21 and name HN )) ( segid " " and resid 26 and name HG2%) 5.100 3.200 0.900 peak 834 spectrum 1 weight 0.10000E+01 volume 0.52205E-03 ppm1 6.461 ppm2 0.929 CV 1 OR { 834} (( segid " " and resid 21 and name HN )) ( segid " " and resid 38 and name HG1%) OR { 834} (( segid " " and resid 21 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 834} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 836} (( segid " " and resid 21 and name HN )) ( segid " " and resid 36 and name HD2%) 6.000 5.900 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.12234E-03 ppm1 6.453 ppm2 0.752 CV 1 OR { 836} (( segid " " and resid 21 and name HN )) ( segid " " and resid 26 and name HG1%) OR { 836} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HD1%) ASSI { 839} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HN )) 6.000 5.100 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.25109E-04 ppm1 6.450 ppm2 8.370 CV 1 OR { 839} (( segid " " and resid 21 and name HN )) (( segid " " and resid 42 and name HN )) OR { 839} (( segid " " and resid 21 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 840} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HN )) 4.300 2.300 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.15145E-03 ppm1 6.461 ppm2 8.340 CV 1 OR { 840} (( segid " " and resid 21 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 841} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HN )) 6.000 6.000 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.13337E-04 ppm1 6.462 ppm2 8.184 CV 1 OR { 841} (( segid " " and resid 21 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 842} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HD22)) 5.300 3.600 0.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.32928E-03 ppm1 6.459 ppm2 8.068 CV 1 OR { 842} (( segid " " and resid 21 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 850} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HD21)) 4.300 2.300 1.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.24373E-03 ppm1 6.456 ppm2 6.808 CV 1 OR { 850} (( segid " " and resid 21 and name HN )) (( segid " " and resid 32 and name HZ )) ASSI { 861} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HA )) 4.800 2.900 1.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.43636E-03 ppm1 8.516 ppm2 4.038 CV 1 OR { 861} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HD1 )) OR { 861} (( segid " " and resid 23 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 866} (( segid " " and resid 23 and name HN )) (( segid " " and resid 16 and name HA )) 5.300 3.500 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.13164E-03 ppm1 8.519 ppm2 4.621 CV 1 OR { 866} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 871} (( segid " " and resid 77 and name HN )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 871 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 8.507 ppm2 3.674 CV 1 OR { 871} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 873} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HB2 )) 5.200 3.400 0.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.32151E-03 ppm1 8.506 ppm2 2.244 CV 1 OR { 873} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HB2 )) ASSI { 874} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HB2 )) 5.000 3.100 1.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.38606E-03 ppm1 8.510 ppm2 2.176 CV 1 OR { 874} (( segid " " and resid 77 and name HN )) (( segid " " and resid 80 and name HB2 )) OR { 874} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HB2 )) ASSI { 875} (( segid " " and resid 77 and name HN )) (( segid " " and resid 80 and name HB2 )) 4.600 2.700 1.400 peak 875 spectrum 1 weight 0.10000E+01 volume 0.63008E-03 ppm1 8.510 ppm2 2.103 CV 1 OR { 875} (( segid " " and resid 76 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 876} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG11)) 2.100 0.500 0.500 peak 876 spectrum 1 weight 0.10000E+01 volume 0.50497E-02 ppm1 8.508 ppm2 1.990 CV 1 OR { 876} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 877} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.000 3.000 3.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.63456E-03 ppm1 8.508 ppm2 1.894 CV 1 OR { 877} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 878} (( segid " " and resid 77 and name HN )) (( segid " " and resid 7 and name HG11)) 5.000 3.200 1.000 peak 878 spectrum 1 weight 0.10000E+01 volume 0.49547E-03 ppm1 8.505 ppm2 1.539 CV 1 OR { 878} (( segid " " and resid 77 and name HN )) ( segid " " and resid 2 and name HB% ) OR { 878} (( segid " " and resid 76 and name HN )) (( segid " " and resid 58 and name HG11)) OR { 878} (( segid " " and resid 76 and name HN )) (( segid " " and resid 7 and name HG11)) OR { 878} (( segid " " and resid 76 and name HN )) ( segid " " and resid 2 and name HB% ) ASSI { 880} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB )) 2.000 0.500 0.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.11735E-01 ppm1 8.505 ppm2 1.773 CV 1 OR { 880} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 880} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB )) OR { 880} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 881} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.400 0.700 0.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.47953E-02 ppm1 8.505 ppm2 1.650 CV 1 OR { 881} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG )) OR { 881} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 882} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HB1 )) 4.400 2.400 1.600 peak 882 spectrum 1 weight 0.10000E+01 volume 0.44273E-03 ppm1 8.504 ppm2 2.532 CV 1 OR { 882} (( segid " " and resid 76 and name HN )) (( segid " " and resid 79 and name HB2 )) OR { 882} (( segid " " and resid 77 and name HN )) (( segid " " and resid 79 and name HB2 )) OR { 882} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HB1 )) ASSI { 883} (( segid " " and resid 77 and name HN )) ( segid " " and resid 73 and name HG2%) 4.200 2.200 1.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.69704E-03 ppm1 8.503 ppm2 1.101 CV 1 OR { 883} (( segid " " and resid 76 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 884} (( segid " " and resid 76 and name HN )) ( segid " " and resid 56 and name HG2%) 6.000 5.400 0.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.50986E-04 ppm1 8.513 ppm2 1.004 CV 1 OR { 884} (( segid " " and resid 77 and name HN )) ( segid " " and resid 56 and name HG2%) ASSI { 885} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) 3.900 1.900 1.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 8.505 ppm2 0.824 CV 1 OR { 885} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 885} (( segid " " and resid 76 and name HN )) (( segid " " and resid 58 and name HG12)) OR { 885} (( segid " " and resid 76 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 885} (( segid " " and resid 76 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 886} (( segid " " and resid 77 and name HN )) ( segid " " and resid 7 and name HD1%) 2.600 0.900 0.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.50246E-02 ppm1 8.504 ppm2 0.533 CV 1 OR { 886} (( segid " " and resid 77 and name HN )) ( segid " " and resid 76 and name HG2%) OR { 886} (( segid " " and resid 76 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 886} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HG2%) OR { 886} (( segid " " and resid 77 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 886} (( segid " " and resid 76 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 887} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD1%) 3.300 1.400 1.400 peak 887 spectrum 1 weight 0.10000E+01 volume 0.26149E-02 ppm1 8.507 ppm2 0.616 CV 1 OR { 887} (( segid " " and resid 76 and name HN )) ( segid " " and resid 58 and name HD1%) ASSI { 888} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG12)) 3.300 1.400 1.400 peak 888 spectrum 1 weight 0.10000E+01 volume 0.28230E-02 ppm1 8.508 ppm2 0.912 CV 1 OR { 888} (( segid " " and resid 76 and name HN )) ( segid " " and resid 56 and name HG1%) OR { 888} (( segid " " and resid 77 and name HN )) ( segid " " and resid 56 and name HG1%) ASSI { 889} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB )) 3.000 1.100 1.100 peak 889 spectrum 1 weight 0.10000E+01 volume 0.49012E-02 ppm1 8.515 ppm2 2.039 CV 1 OR { 889} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 944} (( segid " " and resid 25 and name HN )) ( segid " " and resid 36 and name HD2%) 5.300 3.500 0.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.29824E-03 ppm1 7.746 ppm2 0.756 CV 1 OR { 944} (( segid " " and resid 25 and name HN )) ( segid " " and resid 26 and name HG1%) ASSI { 950} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG1 )) 3.900 1.900 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.13757E-02 ppm1 7.747 ppm2 2.330 CV 1 OR { 950} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG2 )) OR { 950} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB )) OR { 950} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 951} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG1 )) 3.600 1.600 1.600 peak 951 spectrum 1 weight 0.10000E+01 volume 0.15617E-02 ppm1 7.746 ppm2 2.298 CV 1 OR { 951} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG2 )) OR { 951} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB )) ASSI { 957} (( segid " " and resid 25 and name HN )) (( segid " " and resid 27 and name HG2 )) 5.000 3.100 1.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.24822E-03 ppm1 7.746 ppm2 1.339 CV 1 OR { 957} (( segid " " and resid 25 and name HN )) (( segid " " and resid 27 and name HG1 )) OR { 957} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HG12)) OR { 957} (( segid " " and resid 25 and name HN )) (( segid " " and resid 30 and name HG2 )) OR { 957} (( segid " " and resid 25 and name HN )) (( segid " " and resid 30 and name HB2 )) OR { 957} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HG11)) ASSI { 958} (( segid " " and resid 25 and name HN )) ( segid " " and resid 12 and name HB% ) 5.400 3.600 0.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.24367E-03 ppm1 7.747 ppm2 1.657 CV 1 OR { 958} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HB )) OR { 958} (( segid " " and resid 25 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 962} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.500 1.600 1.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.14511E-02 ppm1 7.747 ppm2 4.040 CV 1 OR { 962} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HD1 )) ASSI { 981} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) 4.100 2.100 1.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.13721E-02 ppm1 7.489 ppm2 4.045 CV 1 OR { 981} (( segid " " and resid 26 and name HN )) (( segid " " and resid 12 and name HA )) OR { 981} (( segid " " and resid 26 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 990} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HE2 )) 5.200 3.400 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.19733E-03 ppm1 7.489 ppm2 3.047 CV 1 OR { 990} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HE1 )) OR { 990} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HE1 )) OR { 990} (( segid " " and resid 26 and name HN )) (( segid " " and resid 35 and name HB1 )) OR { 990} (( segid " " and resid 26 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 994} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB )) 2.200 0.600 0.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.68453E-02 ppm1 7.488 ppm2 2.336 CV 1 OR { 994} (( segid " " and resid 26 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 996} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HB1 )) 6.000 4.700 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.10609E-03 ppm1 7.488 ppm2 2.099 CV 1 OR { 996} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB1 )) OR { 996} (( segid " " and resid 26 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 997} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.200 2.200 1.800 peak 997 spectrum 1 weight 0.10000E+01 volume 0.47322E-03 ppm1 7.491 ppm2 2.024 CV 1 OR { 997} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB2 )) OR { 997} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 999} (( segid " " and resid 26 and name HN )) (( segid " " and resid 22 and name HB2 )) 5.000 3.200 1.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.25058E-03 ppm1 7.489 ppm2 1.783 CV 1 OR { 999} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HG1 )) ASSI { 1001} (( segid " " and resid 26 and name HN )) (( segid " " and resid 21 and name HB )) 5.500 3.800 0.500 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.19425E-03 ppm1 7.492 ppm2 1.586 CV 1 OR { 1001} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB2 )) OR { 1001} (( segid " " and resid 26 and name HN )) (( segid " " and resid 36 and name HB2 )) OR { 1001} (( segid " " and resid 26 and name HN )) ( segid " " and resid 19 and name HB% ) ASSI { 1002} (( segid " " and resid 26 and name HN )) (( segid " " and resid 36 and name HG )) 6.000 5.400 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.83015E-04 ppm1 7.487 ppm2 1.501 CV 1 OR { 1002} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB2 )) OR { 1002} (( segid " " and resid 26 and name HN )) ( segid " " and resid 19 and name HB% ) ASSI { 1004} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HG1 )) 4.300 2.300 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.65191E-03 ppm1 7.488 ppm2 1.336 CV 1 OR { 1004} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HB2 )) OR { 1004} (( segid " " and resid 26 and name HN )) (( segid " " and resid 21 and name HG12)) OR { 1004} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HG2 )) OR { 1004} (( segid " " and resid 26 and name HN )) (( segid " " and resid 21 and name HG11)) ASSI { 1008} (( segid " " and resid 26 and name HN )) ( segid " " and resid 21 and name HG2%) 3.100 1.200 1.200 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.12636E-02 ppm1 7.488 ppm2 1.012 CV 1 OR { 1008} (( segid " " and resid 26 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 1011} (( segid " " and resid 26 and name HN )) ( segid " " and resid 36 and name HD2%) 3.400 1.400 1.400 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.18788E-02 ppm1 7.489 ppm2 0.743 CV 1 OR { 1011} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HG1%) ASSI { 1012} (( segid " " and resid 26 and name HN )) ( segid " " and resid 36 and name HD1%) 5.500 3.800 0.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.18503E-03 ppm1 7.489 ppm2 0.632 CV 1 OR { 1012} (( segid " " and resid 26 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 1039} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HA )) 6.000 4.900 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.17610E-03 ppm1 6.347 ppm2 4.385 CV 1 OR { 1039} (( segid " " and resid 27 and name HN )) (( segid " " and resid 36 and name HA )) OR { 1039} (( segid " " and resid 27 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 1040} (( segid " " and resid 27 and name HN )) (( segid " " and resid 32 and name HA )) 6.000 5.400 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.10430E-03 ppm1 6.356 ppm2 4.040 CV 1 OR { 1040} (( segid " " and resid 27 and name HN )) (( segid " " and resid 70 and name HA1 )) OR { 1040} (( segid " " and resid 27 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 1041} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HE1 )) 4.900 3.000 1.100 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.50045E-03 ppm1 6.351 ppm2 3.026 CV 1 OR { 1041} (( segid " " and resid 27 and name HN )) (( segid " " and resid 35 and name HB1 )) OR { 1041} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HE1 )) OR { 1041} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HE2 )) ASSI { 1044} (( segid " " and resid 27 and name HN )) (( segid " " and resid 69 and name HB )) 4.400 2.400 1.600 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.27681E-03 ppm1 6.352 ppm2 2.264 CV 1 OR { 1044} (( segid " " and resid 27 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 1060} (( segid " " and resid 27 and name HN )) ( segid " " and resid 69 and name HG2%) 3.400 1.400 1.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.65424E-03 ppm1 6.352 ppm2 0.627 CV 1 OR { 1060} (( segid " " and resid 27 and name HN )) ( segid " " and resid 36 and name HD1%) ASSI { 1070} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.400 1.500 1.500 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.18897E-02 ppm1 8.463 ppm2 1.463 CV 1 OR { 1070} (( segid " " and resid 28 and name HN )) (( segid " " and resid 30 and name HD2 )) ASSI { 1074} (( segid " " and resid 28 and name HN )) ( segid " " and resid 8 and name HG2%) 4.400 2.400 1.600 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.27259E-03 ppm1 8.463 ppm2 1.061 CV 1 OR { 1074} (( segid " " and resid 28 and name HN )) ( segid " " and resid 73 and name HG2%) OR { 1074} (( segid " " and resid 28 and name HN )) ( segid " " and resid 68 and name HG2%) ASSI { 1075} (( segid " " and resid 28 and name HN )) ( segid " " and resid 8 and name HG2%) 4.400 2.400 1.600 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.23550E-03 ppm1 8.465 ppm2 1.004 CV 1 OR { 1075} (( segid " " and resid 28 and name HN )) ( segid " " and resid 21 and name HG2%) ASSI { 1078} (( segid " " and resid 28 and name HN )) ( segid " " and resid 26 and name HG1%) 6.000 6.000 0.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.27823E-04 ppm1 8.467 ppm2 0.725 CV 1 OR { 1078} (( segid " " and resid 28 and name HN )) ( segid " " and resid 36 and name HD2%) ASSI { 1079} (( segid " " and resid 28 and name HN )) ( segid " " and resid 69 and name HG2%) 4.300 2.300 1.700 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.47304E-03 ppm1 8.462 ppm2 0.645 CV 1 OR { 1079} (( segid " " and resid 28 and name HN )) ( segid " " and resid 36 and name HD1%) ASSI { 1104} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.000 1.100 1.100 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.51036E-02 ppm1 7.503 ppm2 2.052 CV 1 OR { 1104} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB )) OR { 1104} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 1106} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG1 )) 3.700 1.700 1.700 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.18612E-02 ppm1 7.503 ppm2 1.800 CV 1 OR { 1106} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HG )) OR { 1106} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HB1 )) OR { 1106} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 1107} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 7.503 ppm2 1.556 CV 1 OR { 1107} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HD1 )) ASSI { 1108} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HD2 )) 3.800 1.800 1.800 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 7.503 ppm2 1.465 CV 1 OR { 1108} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HB2 )) OR { 1108} (( segid " " and resid 30 and name HN )) (( segid " " and resid 36 and name HG )) ASSI { 1109} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.47669E-02 ppm1 7.503 ppm2 1.357 CV 1 OR { 1109} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG2 )) OR { 1109} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HG1 )) OR { 1109} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HG2 )) ASSI { 1112} (( segid " " and resid 30 and name HN )) ( segid " " and resid 68 and name HG2%) 4.400 2.400 1.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.40946E-03 ppm1 7.504 ppm2 1.065 CV 1 OR { 1112} (( segid " " and resid 30 and name HN )) ( segid " " and resid 8 and name HG2%) ASSI { 1113} (( segid " " and resid 62 and name HN )) ( segid " " and resid 47 and name HG2%) 4.300 2.300 1.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.92452E-03 ppm1 7.509 ppm2 0.903 CV 1 OR { 1113} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 1113} (( segid " " and resid 30 and name HN )) ( segid " " and resid 28 and name HD2%) OR { 1113} (( segid " " and resid 30 and name HN )) ( segid " " and resid 8 and name HG1%) OR { 1113} (( segid " " and resid 30 and name HN )) ( segid " " and resid 26 and name HG2%) OR { 1113} (( segid " " and resid 62 and name HN )) (( segid " " and resid 58 and name HG12)) OR { 1113} (( segid " " and resid 62 and name HN )) (( segid " " and resid 40 and name H4A )) ASSI { 1114} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HG1%) 4.900 2.900 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.54247E-03 ppm1 7.505 ppm2 0.781 CV 1 OR { 1114} (( segid " " and resid 30 and name HN )) ( segid " " and resid 36 and name HD2%) OR { 1114} (( segid " " and resid 30 and name HN )) ( segid " " and resid 28 and name HD1%) ASSI { 1115} (( segid " " and resid 30 and name HN )) ( segid " " and resid 69 and name HG2%) 3.800 1.800 1.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.63775E-03 ppm1 7.500 ppm2 0.622 CV 1 OR { 1115} (( segid " " and resid 30 and name HN )) ( segid " " and resid 36 and name HD1%) ASSI { 1117} (( segid " " and resid 30 and name HN )) ( segid " " and resid 69 and name HG1%) 4.200 2.200 1.800 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.11499E-02 ppm1 7.503 ppm2 0.440 CV 1 OR { 1117} (( segid " " and resid 62 and name HN )) ( segid " " and resid 66 and name HD1%) ASSI { 1119} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HA )) 3.800 1.800 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.67603E-03 ppm1 7.504 ppm2 3.576 CV 1 OR { 1119} (( segid " " and resid 30 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 1122} (( segid " " and resid 30 and name HN )) (( segid " " and resid 35 and name HB1 )) 4.700 2.800 1.300 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.45021E-03 ppm1 7.504 ppm2 3.030 CV 1 OR { 1122} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HE1 )) OR { 1122} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HE1 )) OR { 1122} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HE2 )) ASSI { 1123} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HE1 )) 4.700 2.800 1.300 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.36894E-03 ppm1 7.504 ppm2 2.956 CV 1 OR { 1123} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HE2 )) OR { 1123} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HE2 )) ASSI { 1124} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 4.300 2.300 1.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.59121E-03 ppm1 7.504 ppm2 2.776 CV 1 OR { 1124} (( segid " " and resid 62 and name HN )) (( segid " " and resid 65 and name HB2 )) ASSI { 1125} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB1 )) 4.000 2.000 2.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.93370E-03 ppm1 7.505 ppm2 2.601 CV 1 OR { 1125} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) OR { 1125} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HB1 )) ASSI { 1126} (( segid " " and resid 30 and name HN )) (( segid " " and resid 69 and name HB )) 3.100 1.200 1.200 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.11546E-02 ppm1 7.502 ppm2 2.278 CV 1 OR { 1126} (( segid " " and resid 30 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 1126} (( segid " " and resid 62 and name HN )) (( segid " " and resid 40 and name H2A )) OR { 1126} (( segid " " and resid 62 and name HN )) (( segid " " and resid 40 and name H2B )) ASSI { 1128} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) 2.500 0.800 0.800 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.47843E-02 ppm1 7.517 ppm2 2.416 CV 1 OR { 1128} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB2 )) OR { 1128} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HB1 )) ASSI { 1131} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.28297E-02 ppm1 7.503 ppm2 4.398 CV 1 OR { 1131} (( segid " " and resid 30 and name HN )) (( segid " " and resid 68 and name HB )) OR { 1131} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HA )) ASSI { 1133} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB1 )) 6.000 4.500 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.12565E-03 ppm1 7.505 ppm2 4.087 CV 1 OR { 1133} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HA )) OR { 1133} (( segid " " and resid 62 and name HN )) (( segid " " and resid 72 and name HA )) ASSI { 1134} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HD2 )) 4.700 2.800 1.300 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.36308E-03 ppm1 7.507 ppm2 3.836 CV 1 OR { 1134} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HD1 )) OR { 1134} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB2 )) OR { 1134} (( segid " " and resid 30 and name HN )) (( segid " " and resid 70 and name HA2 )) ASSI { 1135} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HD2 )) 4.600 2.600 1.400 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.41947E-03 ppm1 7.513 ppm2 3.792 CV 1 OR { 1135} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HD1 )) OR { 1135} (( segid " " and resid 30 and name HN )) (( segid " " and resid 70 and name HA2 )) ASSI { 1143} (( segid " " and resid 62 and name HN )) (( segid " " and resid 65 and name HD21)) 4.400 2.400 1.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.73692E-03 ppm1 7.505 ppm2 6.988 CV 1 OR { 1143} (( segid " " and resid 30 and name HN )) ( segid " " and resid 32 and name HE% ) ASSI { 1145} (( segid " " and resid 62 and name HN )) (( segid " " and resid 65 and name HN )) 3.900 1.900 1.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.14785E-02 ppm1 7.504 ppm2 7.228 CV 1 OR { 1145} (( segid " " and resid 30 and name HN )) ( segid " " and resid 32 and name HD% ) ASSI { 1155} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) 2.800 1.000 1.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 7.514 ppm2 8.671 CV 1 OR { 1155} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 1157} (( segid " " and resid 31 and name HN )) (( segid " " and resid 69 and name HN )) 5.600 3.900 0.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.86884E-04 ppm1 10.162 ppm2 8.136 CV 1 OR { 1157} (( segid " " and resid 31 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 1159} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 4.600 2.600 1.400 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.32734E-03 ppm1 10.165 ppm2 7.466 CV 1 OR { 1159} (( segid " " and resid 31 and name HN )) (( segid " " and resid 36 and name HN )) ASSI { 1164} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 4.600 2.700 1.400 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.21780E-03 ppm1 10.164 ppm2 4.488 CV 1 OR { 1164} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HA )) OR { 1164} (( segid " " and resid 31 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 1176} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB2 )) 5.700 4.100 0.300 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.18374E-03 ppm1 10.163 ppm2 3.142 CV 1 OR { 1176} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) OR { 1176} (( segid " " and resid 31 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 1181} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HB2 )) 5.100 3.200 0.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.69581E-04 ppm1 10.163 ppm2 2.613 CV 1 OR { 1181} (( segid " " and resid 31 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 1183} (( segid " " and resid 31 and name HN )) (( segid " " and resid 69 and name HB )) 5.700 4.100 0.300 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.15025E-03 ppm1 10.167 ppm2 2.292 CV 1 OR { 1183} (( segid " " and resid 31 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 1183} (( segid " " and resid 31 and name HN )) (( segid " " and resid 26 and name HB )) ASSI { 1186} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HD1 )) 4.500 2.600 1.500 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.82330E-03 ppm1 10.164 ppm2 1.568 CV 1 OR { 1186} (( segid " " and resid 31 and name HN )) (( segid " " and resid 27 and name HB2 )) ASSI { 1187} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HD2 )) 4.500 2.600 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.68745E-03 ppm1 10.160 ppm2 1.475 CV 1 OR { 1187} (( segid " " and resid 31 and name HN )) (( segid " " and resid 36 and name HG )) ASSI { 1193} (( segid " " and resid 31 and name HN )) ( segid " " and resid 36 and name HD1%) 4.600 2.700 1.400 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.41286E-03 ppm1 10.163 ppm2 0.609 CV 1 OR { 1193} (( segid " " and resid 31 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 1197} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HN )) 6.000 5.200 0.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.76172E-04 ppm1 10.165 ppm2 8.636 CV 1 OR { 1197} (( segid " " and resid 31 and name HN )) (( segid " " and resid 68 and name HN )) ASSI { 1203} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 3.000 1.100 1.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.21923E-02 ppm1 8.222 ppm2 8.646 CV 1 OR { 1203} (( segid " " and resid 32 and name HN )) (( segid " " and resid 68 and name HN )) ASSI { 1205} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.35298E-02 ppm1 8.221 ppm2 8.399 CV 1 OR { 1205} (( segid " " and resid 39 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 1208} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 3.300 1.300 1.300 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.30669E-02 ppm1 8.223 ppm2 8.048 CV 1 OR { 1208} (( segid " " and resid 32 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 1212} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HN )) 4.000 2.000 2.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.59610E-03 ppm1 8.225 ppm2 7.474 CV 1 OR { 1212} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HN )) ASSI { 1217} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HE% ) 4.200 2.200 1.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.65036E-03 ppm1 8.225 ppm2 6.990 CV 1 OR { 1217} (( segid " " and resid 39 and name HN )) ( segid " " and resid 32 and name HE% ) ASSI { 1218} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HZ )) 5.000 3.200 1.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.28307E-03 ppm1 8.225 ppm2 6.850 CV 1 OR { 1218} (( segid " " and resid 39 and name HN )) (( segid " " and resid 32 and name HZ )) ASSI { 1229} (( segid " " and resid 32 and name HN )) (( segid " " and resid 67 and name HA )) 4.700 2.800 1.300 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.42594E-03 ppm1 8.217 ppm2 4.500 CV 1 OR { 1229} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HA )) OR { 1229} (( segid " " and resid 39 and name HN )) (( segid " " and resid 33 and name HA )) OR { 1229} (( segid " " and resid 32 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 1230} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HA )) 5.000 3.100 1.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.22902E-03 ppm1 8.214 ppm2 4.430 CV 1 OR { 1230} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HA )) OR { 1230} (( segid " " and resid 32 and name HN )) (( segid " " and resid 37 and name HA )) ASSI { 1231} (( segid " " and resid 32 and name HN )) (( segid " " and resid 68 and name HB )) 4.900 3.000 1.100 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.44862E-03 ppm1 8.217 ppm2 4.357 CV 1 OR { 1231} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HA )) OR { 1231} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 1232} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HA )) 4.900 3.000 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.36510E-03 ppm1 8.224 ppm2 4.272 CV 1 OR { 1232} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HA )) ASSI { 1234} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.600 0.900 0.900 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.27937E-02 ppm1 8.225 ppm2 4.092 CV 1 OR { 1234} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) OR { 1234} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 1242} (( segid " " and resid 32 and name HN )) (( segid " " and resid 69 and name HA )) 4.900 3.000 1.100 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.23797E-03 ppm1 8.228 ppm2 3.408 CV 1 OR { 1242} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name H28B)) ASSI { 1245} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.400 0.700 0.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.46943E-02 ppm1 8.224 ppm2 3.158 CV 1 OR { 1245} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) OR { 1245} (( segid " " and resid 39 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 1249} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 2.600 0.800 0.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.27607E-02 ppm1 8.226 ppm2 2.767 CV 1 OR { 1249} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HB2 )) OR { 1249} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 1251} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HB2 )) 5.600 4.000 0.400 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.14655E-03 ppm1 8.227 ppm2 2.442 CV 1 OR { 1251} (( segid " " and resid 32 and name HN )) (( segid " " and resid 37 and name HB2 )) OR { 1251} (( segid " " and resid 39 and name HN )) (( segid " " and resid 45 and name HG1 )) ASSI { 1252} (( segid " " and resid 32 and name HN )) (( segid " " and resid 69 and name HB )) 4.700 2.700 1.300 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.55576E-03 ppm1 8.225 ppm2 2.286 CV 1 OR { 1252} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H2B )) OR { 1252} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 1252} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H2A )) OR { 1252} (( segid " " and resid 32 and name HN )) (( segid " " and resid 43 and name HG1 )) OR { 1252} (( segid " " and resid 39 and name HN )) (( segid " " and resid 43 and name HG1 )) OR { 1252} (( segid " " and resid 39 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 1252} (( segid " " and resid 32 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 1252} (( segid " " and resid 39 and name HN )) (( segid " " and resid 46 and name HB )) OR { 1252} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name H2A )) ASSI { 1253} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.700 2.700 1.300 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.27659E-03 ppm1 8.217 ppm2 2.058 CV 1 OR { 1253} (( segid " " and resid 32 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 1253} (( segid " " and resid 39 and name HN )) (( segid " " and resid 43 and name HB1 )) OR { 1253} (( segid " " and resid 32 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 1253} (( segid " " and resid 32 and name HN )) (( segid " " and resid 43 and name HB1 )) ASSI { 1254} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 4.200 2.200 1.800 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.94169E-03 ppm1 8.225 ppm2 1.891 CV 1 OR { 1254} (( segid " " and resid 32 and name HN )) (( segid " " and resid 38 and name HB )) ASSI { 1255} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HG1 )) 6.000 4.600 0.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.86724E-04 ppm1 8.218 ppm2 1.792 CV 1 OR { 1255} (( segid " " and resid 32 and name HN )) (( segid " " and resid 67 and name HD2 )) OR { 1255} (( segid " " and resid 32 and name HN )) (( segid " " and resid 67 and name HD1 )) OR { 1255} (( segid " " and resid 32 and name HN )) (( segid " " and resid 28 and name HG )) OR { 1255} (( segid " " and resid 32 and name HN )) (( segid " " and resid 66 and name HG )) OR { 1255} (( segid " " and resid 32 and name HN )) (( segid " " and resid 7 and name HB )) ASSI { 1256} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HG )) 6.000 5.500 0.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.56152E-04 ppm1 8.222 ppm2 1.715 CV 1 OR { 1256} (( segid " " and resid 32 and name HN )) (( segid " " and resid 28 and name HB1 )) ASSI { 1257} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HB2 )) 4.900 3.100 1.100 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.24882E-03 ppm1 8.228 ppm2 1.624 CV 1 OR { 1257} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HB2 )) OR { 1257} (( segid " " and resid 39 and name HN )) (( segid " " and resid 18 and name HB )) OR { 1257} (( segid " " and resid 32 and name HN )) ( segid " " and resid 72 and name HB% ) OR { 1257} (( segid " " and resid 32 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 1258} (( segid " " and resid 39 and name HN )) ( segid " " and resid 19 and name HB% ) 4.200 2.300 1.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.42244E-03 ppm1 8.227 ppm2 1.545 CV 1 OR { 1258} (( segid " " and resid 32 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 1259} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HG )) 4.500 2.500 1.500 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.45819E-03 ppm1 8.222 ppm2 1.452 CV 1 OR { 1259} (( segid " " and resid 39 and name HN )) ( segid " " and resid 43 and name HE% ) OR { 1259} (( segid " " and resid 32 and name HN )) ( segid " " and resid 43 and name HE% ) ASSI { 1261} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HG2%) 4.800 2.900 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.41498E-03 ppm1 8.226 ppm2 1.275 CV 1 OR { 1261} (( segid " " and resid 39 and name HN )) ( segid " " and resid 33 and name HG2%) OR { 1261} (( segid " " and resid 32 and name HN )) (( segid " " and resid 21 and name HG11)) ASSI { 1262} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H3A )) 5.400 3.600 0.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.18038E-03 ppm1 8.223 ppm2 1.169 CV 1 OR { 1262} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H3B )) OR { 1262} (( segid " " and resid 39 and name HN )) ( segid " " and resid 15 and name HG2%) OR { 1262} (( segid " " and resid 32 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 1264} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG1%) 2.400 0.700 0.700 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.49766E-02 ppm1 8.226 ppm2 0.928 CV 1 OR { 1264} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 1264} (( segid " " and resid 32 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 1265} (( segid " " and resid 39 and name HN )) ( segid " " and resid 21 and name HD1%) 5.200 3.300 0.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.25138E-03 ppm1 8.226 ppm2 0.832 CV 1 OR { 1265} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H4B )) OR { 1265} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H4A )) OR { 1265} (( segid " " and resid 32 and name HN )) ( segid " " and resid 63 and name HG1%) OR { 1265} (( segid " " and resid 32 and name HN )) ( segid " " and resid 28 and name HD1%) OR { 1265} (( segid " " and resid 39 and name HN )) ( segid " " and resid 63 and name HG1%) ASSI { 1266} (( segid " " and resid 32 and name HN )) ( segid " " and resid 36 and name HD2%) 5.700 4.000 0.300 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.16609E-03 ppm1 8.226 ppm2 0.760 CV 1 OR { 1266} (( segid " " and resid 32 and name HN )) ( segid " " and resid 26 and name HG1%) OR { 1266} (( segid " " and resid 39 and name HN )) ( segid " " and resid 18 and name HD1%) ASSI { 1268} (( segid " " and resid 32 and name HN )) ( segid " " and resid 36 and name HD1%) 3.800 1.800 1.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.52603E-03 ppm1 8.223 ppm2 0.602 CV 1 OR { 1268} (( segid " " and resid 32 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 1269} (( segid " " and resid 32 and name HN )) ( segid " " and resid 69 and name HG1%) 5.200 3.400 0.800 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.33546E-03 ppm1 8.224 ppm2 0.443 CV 1 OR { 1269} (( segid " " and resid 32 and name HN )) ( segid " " and resid 66 and name HD1%) ASSI { 1279} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 3.300 1.400 1.400 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.10512E-02 ppm1 8.647 ppm2 4.084 CV 1 OR { 1279} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 1288} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name H43A)) 4.800 2.900 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.24622E-03 ppm1 8.646 ppm2 2.805 CV 1 OR { 1288} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB1 )) OR { 1288} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name H43B)) ASSI { 1289} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.500 2.500 1.500 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.22784E-03 ppm1 8.645 ppm2 2.446 CV 1 OR { 1289} (( segid " " and resid 33 and name HN )) (( segid " " and resid 37 and name HB2 )) ASSI { 1290} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name H2A )) 5.700 4.100 0.300 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.14962E-03 ppm1 8.648 ppm2 2.265 CV 1 OR { 1290} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name H2B )) OR { 1290} (( segid " " and resid 33 and name HN )) (( segid " " and resid 43 and name HG1 )) OR { 1290} (( segid " " and resid 33 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 1290} (( segid " " and resid 33 and name HN )) (( segid " " and resid 43 and name HG2 )) ASSI { 1305} (( segid " " and resid 33 and name HN )) ( segid " " and resid 36 and name HD1%) 5.500 3.800 0.500 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.20871E-03 ppm1 8.653 ppm2 0.597 CV 1 OR { 1305} (( segid " " and resid 33 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 1308} (( segid " " and resid 33 and name HN )) (( segid " " and resid 38 and name HN )) 4.700 2.700 1.300 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.33254E-03 ppm1 8.646 ppm2 8.128 CV 1 OR { 1308} (( segid " " and resid 33 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 1309} (( segid " " and resid 33 and name HN )) (( segid " " and resid 38 and name HN )) 4.700 2.800 1.300 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.28046E-03 ppm1 8.646 ppm2 8.069 CV 1 OR { 1309} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name H41A)) ASSI { 1339} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HD1%) 4.100 2.100 1.900 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 7.447 ppm2 0.600 CV 1 OR { 1339} (( segid " " and resid 36 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 1341} (( segid " " and resid 36 and name HN )) ( segid " " and resid 21 and name HG2%) 6.000 4.500 0.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.22394E-03 ppm1 7.448 ppm2 1.011 CV 1 OR { 1341} (( segid " " and resid 36 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 1342} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HG2%) 5.000 3.100 1.000 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.51643E-03 ppm1 7.450 ppm2 0.937 CV 1 OR { 1342} (( segid " " and resid 36 and name HN )) ( segid " " and resid 26 and name HG2%) OR { 1342} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 1358} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.800 1.000 1.000 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.27746E-02 ppm1 7.446 ppm2 4.391 CV 1 OR { 1358} (( segid " " and resid 36 and name HN )) (( segid " " and resid 30 and name HA )) ASSI { 1387} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 2.100 0.500 0.500 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.12734E-01 ppm1 7.348 ppm2 4.393 CV 1 OR { 1387} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 1394} (( segid " " and resid 37 and name HN )) (( segid " " and resid 21 and name HG12)) 4.500 2.500 1.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.30033E-03 ppm1 7.354 ppm2 1.280 CV 1 OR { 1394} (( segid " " and resid 37 and name HN )) (( segid " " and resid 21 and name HG11)) OR { 1394} (( segid " " and resid 37 and name HN )) ( segid " " and resid 33 and name HG2%) ASSI { 1410} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HG )) 5.300 3.500 0.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.12081E-03 ppm1 8.093 ppm2 1.478 CV 1 OR { 1410} (( segid " " and resid 38 and name HN )) ( segid " " and resid 43 and name HE% ) ASSI { 1411} (( segid " " and resid 38 and name HN )) (( segid " " and resid 21 and name HG12)) 4.200 2.200 1.800 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.51082E-03 ppm1 8.089 ppm2 1.271 CV 1 OR { 1411} (( segid " " and resid 38 and name HN )) (( segid " " and resid 21 and name HG11)) OR { 1411} (( segid " " and resid 38 and name HN )) ( segid " " and resid 33 and name HG2%) ASSI { 1421} (( segid " " and resid 38 and name HN )) (( segid " " and resid 33 and name HB )) 5.600 3.900 0.400 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.17718E-03 ppm1 8.085 ppm2 4.147 CV 1 OR { 1421} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HA )) OR { 1421} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 1449} (( segid " " and resid 40 and name HN )) (( segid " " and resid 42 and name HN )) 3.900 1.900 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.46952E-03 ppm1 8.920 ppm2 8.392 CV 1 OR { 1449} (( segid " " and resid 40 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 1465} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name H28B)) 5.700 4.000 0.300 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.18276E-03 ppm1 8.922 ppm2 3.431 CV 1 OR { 1465} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name H37B)) OR { 1465} (( segid " " and resid 40 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 1471} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.400 1.400 1.400 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 8.920 ppm2 2.768 CV 1 OR { 1471} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name H43A)) OR { 1471} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name H43B)) ASSI { 1472} (( segid " " and resid 40 and name HN )) (( segid " " and resid 43 and name HG1 )) 6.000 5.600 0.000 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.67101E-04 ppm1 8.921 ppm2 2.317 CV 1 OR { 1472} (( segid " " and resid 40 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 1472} (( segid " " and resid 40 and name HN )) (( segid " " and resid 46 and name HB )) ASSI { 1474} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HB )) 5.500 3.800 0.500 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.24895E-03 ppm1 8.919 ppm2 1.895 CV 1 OR { 1474} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 1485} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD2%) 4.200 2.200 1.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.91456E-03 ppm1 8.113 ppm2 0.963 CV 1 OR { 1485} (( segid " " and resid 41 and name HN )) ( segid " " and resid 38 and name HG1%) OR { 1485} (( segid " " and resid 41 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 1485} (( segid " " and resid 41 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 1486} (( segid " " and resid 41 and name HN )) ( segid " " and resid 38 and name HG1%) 3.800 1.800 1.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.10144E-02 ppm1 8.112 ppm2 0.913 CV 1 OR { 1486} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD1%) OR { 1486} (( segid " " and resid 41 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 1486} (( segid " " and resid 41 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 1487} (( segid " " and resid 41 and name HN )) ( segid " " and resid 18 and name HD1%) 6.000 5.200 0.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.10339E-03 ppm1 8.116 ppm2 0.799 CV 1 OR { 1487} (( segid " " and resid 41 and name HN )) ( segid " " and resid 63 and name HG1%) ASSI { 1505} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name H28B)) 5.000 3.100 1.000 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.25216E-03 ppm1 8.111 ppm2 3.431 CV 1 OR { 1505} (( segid " " and resid 41 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 1507} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.35167E-02 ppm1 8.110 ppm2 4.292 CV 1 OR { 1507} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 1509} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB1 )) 5.200 3.400 0.800 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.37158E-03 ppm1 8.112 ppm2 3.979 CV 1 OR { 1509} (( segid " " and resid 41 and name HN )) (( segid " " and resid 38 and name HA )) OR { 1509} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 1516} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 2.300 0.600 0.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.51849E-02 ppm1 8.111 ppm2 8.392 CV 1 OR { 1516} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 1523} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 2.600 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.31528E-02 ppm1 8.395 ppm2 4.292 CV 1 OR { 1523} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) ASSI { 1527} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.900 1.100 1.100 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.29031E-02 ppm1 8.395 ppm2 3.980 CV 1 OR { 1527} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) OR { 1527} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 1531} (( segid " " and resid 42 and name HN )) (( segid " " and resid 15 and name HA )) 6.000 4.500 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.13148E-03 ppm1 8.400 ppm2 3.569 CV 1 OR { 1531} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 1533} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HB2 )) 4.700 2.700 1.300 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.22569E-03 ppm1 8.402 ppm2 2.783 CV 1 OR { 1533} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name H43A)) OR { 1533} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name H43B)) ASSI { 1534} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HB )) 5.400 3.600 0.600 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.36920E-03 ppm1 8.398 ppm2 2.299 CV 1 OR { 1534} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG1 )) OR { 1534} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 1534} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HG2 )) OR { 1534} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 1535} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HB )) 5.700 4.000 0.300 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.11787E-03 ppm1 8.393 ppm2 2.202 CV 1 OR { 1535} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name H2A )) OR { 1535} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name H2B )) ASSI { 1536} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB2 )) 6.000 5.700 0.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.45254E-04 ppm1 8.391 ppm2 2.125 CV 1 OR { 1536} (( segid " " and resid 42 and name HN )) (( segid " " and resid 14 and name HB )) ASSI { 1539} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.600 1.600 1.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.20756E-02 ppm1 8.396 ppm2 1.879 CV 1 OR { 1539} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HB )) ASSI { 1541} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.200 1.300 1.300 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.13744E-02 ppm1 8.394 ppm2 1.631 CV 1 OR { 1541} (( segid " " and resid 42 and name HN )) (( segid " " and resid 18 and name HB )) ASSI { 1544} (( segid " " and resid 42 and name HN )) ( segid " " and resid 44 and name HG2%) 5.900 4.300 0.100 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.10191E-03 ppm1 8.394 ppm2 1.132 CV 1 OR { 1544} (( segid " " and resid 42 and name HN )) ( segid " " and resid 15 and name HG2%) ASSI { 1545} (( segid " " and resid 42 and name HN )) ( segid " " and resid 38 and name HG1%) 3.700 1.700 1.700 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.92151E-03 ppm1 8.395 ppm2 0.944 CV 1 OR { 1545} (( segid " " and resid 42 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 1545} (( segid " " and resid 42 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 1545} (( segid " " and resid 42 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 1545} (( segid " " and resid 42 and name HN )) ( segid " " and resid 40 and name H31%) ASSI { 1554} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HN )) 4.800 2.900 1.200 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.22475E-03 ppm1 8.392 ppm2 7.006 CV 1 OR { 1554} (( segid " " and resid 42 and name HN )) ( segid " " and resid 32 and name HE% ) ASSI { 1561} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HN )) 5.300 3.500 0.700 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.16596E-03 ppm1 8.370 ppm2 8.102 CV 1 OR { 1561} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HN )) OR { 1561} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HD22)) ASSI { 1565} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HG1%) 3.800 1.800 1.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 7.268 ppm2 0.970 CV 1 OR { 1565} (( segid " " and resid 44 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 1565} (( segid " " and resid 44 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 1566} (( segid " " and resid 44 and name HN )) ( segid " " and resid 40 and name H31%) 4.400 2.400 1.600 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.62716E-03 ppm1 7.270 ppm2 0.897 CV 1 OR { 1566} (( segid " " and resid 44 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 1566} (( segid " " and resid 44 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 1566} (( segid " " and resid 44 and name HN )) ( segid " " and resid 47 and name HG1%) ASSI { 1567} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HB )) 3.900 1.900 1.900 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.14460E-02 ppm1 7.267 ppm2 2.296 CV 1 OR { 1567} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 1567} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HG2 )) OR { 1567} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HG1 )) OR { 1567} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 1572} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB2 )) 5.000 3.100 1.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.15302E-03 ppm1 7.266 ppm2 1.635 CV 1 OR { 1572} (( segid " " and resid 44 and name HN )) (( segid " " and resid 18 and name HB )) OR { 1572} (( segid " " and resid 44 and name HN )) (( segid " " and resid 18 and name HG11)) OR { 1572} (( segid " " and resid 44 and name HN )) ( segid " " and resid 72 and name HB% ) ASSI { 1576} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.900 3.000 1.100 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.35366E-03 ppm1 7.267 ppm2 2.445 CV 1 OR { 1576} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name H38B)) ASSI { 1577} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.14378E-02 ppm1 7.268 ppm2 4.293 CV 1 OR { 1577} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 1578} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HA )) 3.400 1.500 1.500 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.31901E-03 ppm1 7.265 ppm2 4.146 CV 1 OR { 1578} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HB2 )) OR { 1578} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name HB1 )) OR { 1578} (( segid " " and resid 44 and name HN )) (( segid " " and resid 72 and name HA )) ASSI { 1580} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.300 1.400 1.400 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.10566E-02 ppm1 7.268 ppm2 3.975 CV 1 OR { 1580} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 1580} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name H32A)) ASSI { 1591} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.26570E-02 ppm1 7.267 ppm2 8.371 CV 1 OR { 1591} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HN )) ASSI { 1594} (( segid " " and resid 44 and name HN )) (( segid " " and resid 47 and name HN )) 4.100 2.100 1.900 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.61665E-03 ppm1 7.269 ppm2 7.990 CV 1 OR { 1594} (( segid " " and resid 44 and name HN )) (( segid " " and resid 40 and name H36A)) ASSI { 1605} (( segid " " and resid 45 and name HN )) (( segid " " and resid 48 and name HN )) 4.300 2.300 1.700 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.56714E-03 ppm1 6.993 ppm2 7.905 CV 1 OR { 1605} (( segid " " and resid 45 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 1625} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) 4.100 2.100 1.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.62232E-03 ppm1 6.990 ppm2 3.969 CV 1 OR { 1625} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 1630} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG2 )) 2.700 0.900 0.900 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.68951E-02 ppm1 6.990 ppm2 2.288 CV 1 OR { 1630} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 1630} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HB )) ASSI { 1631} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB )) 2.500 0.800 0.800 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.40799E-02 ppm1 6.991 ppm2 2.223 CV 1 OR { 1631} (( segid " " and resid 45 and name HN )) (( segid " " and resid 47 and name HB )) ASSI { 1632} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HB1 )) 4.600 2.700 1.400 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.38036E-03 ppm1 6.991 ppm2 2.051 CV 1 OR { 1632} (( segid " " and resid 45 and name HN )) (( segid " " and resid 48 and name HB )) ASSI { 1633} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HB2 )) 5.300 3.500 0.700 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.23753E-03 ppm1 6.985 ppm2 1.953 CV 1 OR { 1633} (( segid " " and resid 45 and name HN )) (( segid " " and resid 14 and name HG11)) ASSI { 1638} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HG1%) 3.400 1.500 1.500 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.25625E-02 ppm1 6.991 ppm2 0.971 CV 1 OR { 1638} (( segid " " and resid 45 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 1638} (( segid " " and resid 45 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 1639} (( segid " " and resid 45 and name HN )) ( segid " " and resid 47 and name HG2%) 4.900 3.000 1.100 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.31379E-03 ppm1 6.991 ppm2 0.883 CV 1 OR { 1639} (( segid " " and resid 45 and name HN )) ( segid " " and resid 47 and name HG1%) OR { 1639} (( segid " " and resid 45 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 1639} (( segid " " and resid 45 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 1642} (( segid " " and resid 46 and name HN )) ( segid " " and resid 49 and name HB% ) 4.800 2.900 1.200 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.37475E-03 ppm1 8.082 ppm2 1.528 CV 1 OR { 1642} (( segid " " and resid 46 and name HN )) ( segid " " and resid 50 and name HB% ) OR { 1642} (( segid " " and resid 74 and name HN )) (( segid " " and resid 7 and name HG11)) ASSI { 1645} (( segid " " and resid 46 and name HN )) ( segid " " and resid 14 and name HG2%) 4.400 2.400 1.600 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.71737E-03 ppm1 8.080 ppm2 1.072 CV 1 OR { 1645} (( segid " " and resid 74 and name HN )) ( segid " " and resid 73 and name HG2%) OR { 1645} (( segid " " and resid 46 and name HN )) ( segid " " and resid 44 and name HG2%) ASSI { 1646} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) 2.200 0.600 0.600 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.82302E-02 ppm1 8.080 ppm2 0.977 CV 1 OR { 1646} (( segid " " and resid 46 and name HN )) ( segid " " and resid 44 and name HG1%) ASSI { 1647} (( segid " " and resid 46 and name HN )) ( segid " " and resid 47 and name HG2%) 3.800 1.800 1.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.14842E-02 ppm1 8.080 ppm2 0.907 CV 1 OR { 1647} (( segid " " and resid 46 and name HN )) ( segid " " and resid 47 and name HG1%) OR { 1647} (( segid " " and resid 46 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 1647} (( segid " " and resid 46 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 1647} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HG12)) ASSI { 1648} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG1%) 3.800 1.800 1.800 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.16070E-02 ppm1 8.081 ppm2 0.671 CV 1 OR { 1648} (( segid " " and resid 46 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 1650} (( segid " " and resid 46 and name HN )) ( segid " " and resid 18 and name HD1%) 3.400 1.400 1.400 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.13459E-02 ppm1 8.080 ppm2 0.782 CV 1 OR { 1650} (( segid " " and resid 46 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 1651} (( segid " " and resid 46 and name HN )) (( segid " " and resid 18 and name HB )) 5.100 3.200 0.900 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.26747E-03 ppm1 8.077 ppm2 1.635 CV 1 OR { 1651} (( segid " " and resid 46 and name HN )) (( segid " " and resid 18 and name HG11)) OR { 1651} (( segid " " and resid 46 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 1656} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 2.200 0.600 0.600 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.87966E-02 ppm1 8.080 ppm2 2.293 CV 1 OR { 1656} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 1656} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG2 )) ASSI { 1657} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 3.000 1.100 1.100 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 8.080 ppm2 2.164 CV 1 OR { 1657} (( segid " " and resid 74 and name HN )) (( segid " " and resid 66 and name HB1 )) ASSI { 1658} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HB )) 5.300 3.500 0.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.25228E-03 ppm1 8.082 ppm2 2.093 CV 1 OR { 1658} (( segid " " and resid 46 and name HN )) (( segid " " and resid 14 and name HB )) OR { 1658} (( segid " " and resid 46 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 1660} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) 4.200 2.300 1.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.49122E-03 ppm1 8.080 ppm2 3.584 CV 1 OR { 1660} (( segid " " and resid 46 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 1665} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) 4.000 2.000 2.000 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.42711E-03 ppm1 8.080 ppm2 4.299 CV 1 OR { 1665} (( segid " " and resid 46 and name HN )) (( segid " " and resid 11 and name HA )) ASSI { 1666} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA )) 2.900 1.100 1.100 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.23367E-02 ppm1 8.079 ppm2 3.975 CV 1 OR { 1666} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 1678} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HN )) 3.500 3.500 2.500 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.26803E-03 ppm1 8.077 ppm2 8.425 CV 1 OR { 1678} (( segid " " and resid 74 and name HN )) (( segid " " and resid 8 and name HN )) OR { 1678} (( segid " " and resid 74 and name HN )) (( segid " " and resid 7 and name HN )) OR { 1678} (( segid " " and resid 74 and name HN )) (( segid " " and resid 28 and name HN )) OR { 1678} (( segid " " and resid 46 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 1680} (( segid " " and resid 46 and name HN )) (( segid " " and resid 50 and name HN )) 4.900 3.000 1.100 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.33472E-03 ppm1 8.077 ppm2 8.806 CV 1 OR { 1680} (( segid " " and resid 46 and name HN )) (( segid " " and resid 15 and name HN )) ASSI { 1681} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 2.600 0.800 0.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.40889E-02 ppm1 8.000 ppm2 7.909 CV 1 OR { 1681} (( segid " " and resid 47 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 1689} (( segid " " and resid 47 and name HN )) (( segid " " and resid 50 and name HN )) 4.900 3.000 1.100 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.16446E-03 ppm1 8.001 ppm2 8.824 CV 1 OR { 1689} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 1691} (( segid " " and resid 47 and name HN )) (( segid " " and resid 60 and name HN )) 5.600 3.900 0.400 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.33170E-03 ppm1 7.999 ppm2 8.621 CV 1 OR { 1691} (( segid " " and resid 47 and name HN )) (( segid " " and resid 61 and name HN )) ASSI { 1692} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HN )) 3.400 3.400 2.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.33728E-03 ppm1 7.996 ppm2 8.414 CV 1 OR { 1692} (( segid " " and resid 47 and name HN )) (( segid " " and resid 42 and name HN )) OR { 1692} (( segid " " and resid 47 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 1695} (( segid " " and resid 47 and name HN )) (( segid " " and resid 60 and name HA )) 6.000 6.000 0.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.51780E-04 ppm1 7.996 ppm2 4.156 CV 1 OR { 1695} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 1698} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HA )) 3.800 1.800 1.800 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.85820E-03 ppm1 7.999 ppm2 3.974 CV 1 OR { 1698} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 1704} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB )) 2.600 0.800 0.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.40529E-02 ppm1 7.998 ppm2 2.293 CV 1 OR { 1704} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 1704} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 1704} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HG1 )) ASSI { 1706} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HB )) 5.000 3.200 1.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.32508E-03 ppm1 8.001 ppm2 2.101 CV 1 OR { 1706} (( segid " " and resid 47 and name HN )) (( segid " " and resid 14 and name HB )) OR { 1706} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 1707} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HB )) 4.700 2.700 1.300 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.42644E-03 ppm1 7.997 ppm2 2.053 CV 1 OR { 1707} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HB1 )) OR { 1707} (( segid " " and resid 47 and name HN )) (( segid " " and resid 63 and name HB )) ASSI { 1708} (( segid " " and resid 47 and name HN )) ( segid " " and resid 49 and name HB% ) 4.500 2.600 1.500 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.37842E-03 ppm1 7.989 ppm2 1.531 CV 1 OR { 1708} (( segid " " and resid 47 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 1710} (( segid " " and resid 47 and name HN )) ( segid " " and resid 48 and name HG2%) 4.700 2.700 1.300 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.71637E-03 ppm1 7.995 ppm2 1.106 CV 1 OR { 1710} (( segid " " and resid 47 and name HN )) ( segid " " and resid 14 and name HG2%) OR { 1710} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HG2%) ASSI { 1711} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG2%) 3.700 1.700 1.700 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.16882E-02 ppm1 7.999 ppm2 0.982 CV 1 OR { 1711} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HG1%) OR { 1711} (( segid " " and resid 47 and name HN )) ( segid " " and resid 48 and name HG1%) ASSI { 1713} (( segid " " and resid 47 and name HN )) ( segid " " and resid 18 and name HD1%) 4.400 2.400 1.600 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.27320E-03 ppm1 8.000 ppm2 0.762 CV 1 OR { 1713} (( segid " " and resid 47 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 1714} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG1%) 3.400 1.400 1.400 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.14772E-02 ppm1 7.998 ppm2 0.667 CV 1 OR { 1714} (( segid " " and resid 47 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 1716} (( segid " " and resid 48 and name HN )) ( segid " " and resid 46 and name HG1%) 5.400 3.700 0.600 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.21242E-03 ppm1 7.896 ppm2 0.663 CV 1 OR { 1716} (( segid " " and resid 13 and name HN )) ( segid " " and resid 46 and name HG1%) OR { 1716} (( segid " " and resid 48 and name HN )) ( segid " " and resid 40 and name H6% ) OR { 1716} (( segid " " and resid 75 and name HN )) ( segid " " and resid 40 and name H6% ) OR { 1716} (( segid " " and resid 13 and name HN )) ( segid " " and resid 69 and name HG2%) OR { 1716} (( segid " " and resid 13 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 1717} (( segid " " and resid 48 and name HN )) ( segid " " and resid 47 and name HG1%) 3.100 1.200 1.200 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.20157E-02 ppm1 7.897 ppm2 0.879 CV 1 OR { 1717} (( segid " " and resid 48 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 1717} (( segid " " and resid 13 and name HN )) ( segid " " and resid 26 and name HG2%) OR { 1717} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG12)) OR { 1717} (( segid " " and resid 75 and name HN )) (( segid " " and resid 58 and name HG12)) ASSI { 1719} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 2.300 0.700 0.700 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.51840E-02 ppm1 7.898 ppm2 2.062 CV 1 OR { 1719} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HB )) ASSI { 1720} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HA )) 4.500 2.500 1.500 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.49666E-03 ppm1 7.901 ppm2 3.587 CV 1 OR { 1720} (( segid " " and resid 13 and name HN )) (( segid " " and resid 23 and name HA )) OR { 1720} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HA )) OR { 1720} (( segid " " and resid 13 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 1721} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) 4.800 2.900 1.200 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.23774E-03 ppm1 7.901 ppm2 3.403 CV 1 OR { 1721} (( segid " " and resid 13 and name HN )) (( segid " " and resid 8 and name HA )) OR { 1721} (( segid " " and resid 13 and name HN )) (( segid " " and resid 46 and name HA )) OR { 1721} (( segid " " and resid 13 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 1723} (( segid " " and resid 75 and name HN )) (( segid " " and resid 79 and name HN )) 3.300 3.300 2.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.20121E-02 ppm1 7.896 ppm2 7.713 CV 1 OR { 1723} (( segid " " and resid 48 and name HN )) (( segid " " and resid 52 and name HN )) OR { 1723} (( segid " " and resid 13 and name HN )) (( segid " " and resid 25 and name HN )) OR { 1723} (( segid " " and resid 75 and name HN )) (( segid " " and resid 80 and name HE22)) ASSI { 1724} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HN )) 4.400 2.500 1.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.27668E-03 ppm1 7.895 ppm2 8.407 CV 1 OR { 1724} (( segid " " and resid 13 and name HN )) (( segid " " and resid 17 and name HN )) ASSI { 1728} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 2.400 0.700 0.700 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.41884E-02 ppm1 7.905 ppm2 8.810 CV 1 OR { 1728} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 1744} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HA )) 5.800 4.200 0.200 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.20952E-03 ppm1 7.907 ppm2 4.151 CV 1 OR { 1744} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HA )) OR { 1744} (( segid " " and resid 49 and name HN )) (( segid " " and resid 60 and name HA )) ASSI { 1746} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 3.400 1.400 1.400 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.12515E-02 ppm1 7.906 ppm2 3.951 CV 1 OR { 1746} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 1751} (( segid " " and resid 49 and name HN )) ( segid " " and resid 48 and name HG2%) 3.800 1.800 1.800 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.18882E-02 ppm1 7.905 ppm2 1.109 CV 1 OR { 1751} (( segid " " and resid 49 and name HN )) ( segid " " and resid 14 and name HG2%) ASSI { 1753} (( segid " " and resid 49 and name HN )) ( segid " " and resid 47 and name HG1%) 4.600 2.700 1.400 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.54960E-03 ppm1 7.905 ppm2 0.890 CV 1 OR { 1753} (( segid " " and resid 49 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 1753} (( segid " " and resid 49 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 1753} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 1755} (( segid " " and resid 49 and name HN )) ( segid " " and resid 46 and name HG1%) 5.000 3.100 1.000 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.27715E-03 ppm1 7.907 ppm2 0.667 CV 1 OR { 1755} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HG2 )) OR { 1755} (( segid " " and resid 49 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 1757} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HB% ) 2.200 0.600 0.600 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.92023E-02 ppm1 7.905 ppm2 1.529 CV 1 OR { 1757} (( segid " " and resid 49 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 1758} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HB1 )) 5.200 3.400 0.800 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.33860E-03 ppm1 7.907 ppm2 2.466 CV 1 OR { 1758} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 1760} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.600 1.700 1.700 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.12979E-02 ppm1 7.908 ppm2 2.157 CV 1 OR { 1760} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 1761} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB )) 2.700 0.900 0.900 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.39833E-02 ppm1 7.905 ppm2 2.062 CV 1 OR { 1761} (( segid " " and resid 49 and name HN )) (( segid " " and resid 14 and name HB )) ASSI { 1763} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HB1 )) 5.800 4.200 0.200 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.33465E-03 ppm1 8.810 ppm2 2.470 CV 1 OR { 1763} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 1764} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HG2 )) 4.700 2.700 1.300 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.30493E-03 ppm1 8.811 ppm2 2.294 CV 1 OR { 1764} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HB )) OR { 1764} (( segid " " and resid 50 and name HN )) (( segid " " and resid 13 and name HG2 )) ASSI { 1765} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HB )) 5.300 3.600 0.700 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.18974E-03 ppm1 8.810 ppm2 2.220 CV 1 OR { 1765} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HG2 )) ASSI { 1766} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HB1 )) 4.900 3.000 1.100 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.31528E-03 ppm1 8.809 ppm2 2.122 CV 1 OR { 1766} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 1767} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HB2 )) 4.400 2.500 1.600 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.45436E-03 ppm1 8.811 ppm2 2.067 CV 1 OR { 1767} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 1768} (( segid " " and resid 50 and name HN )) (( segid " " and resid 14 and name HG11)) 6.000 4.500 0.000 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.14149E-03 ppm1 8.809 ppm2 1.991 CV 1 OR { 1768} (( segid " " and resid 50 and name HN )) (( segid " " and resid 11 and name HG )) OR { 1768} (( segid " " and resid 50 and name HN )) (( segid " " and resid 63 and name HB )) OR { 1768} (( segid " " and resid 50 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 1771} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HB% ) 2.200 0.600 0.600 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.94037E-02 ppm1 8.811 ppm2 1.504 CV 1 OR { 1771} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 1775} (( segid " " and resid 50 and name HN )) ( segid " " and resid 48 and name HG2%) 4.000 2.000 2.000 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.20178E-03 ppm1 8.811 ppm2 1.163 CV 1 OR { 1775} (( segid " " and resid 50 and name HN )) ( segid " " and resid 44 and name HG2%) OR { 1775} (( segid " " and resid 50 and name HN )) (( segid " " and resid 40 and name H3B )) OR { 1775} (( segid " " and resid 50 and name HN )) (( segid " " and resid 40 and name H3A )) ASSI { 1776} (( segid " " and resid 50 and name HN )) ( segid " " and resid 14 and name HG2%) 3.400 1.400 1.400 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.11217E-02 ppm1 8.811 ppm2 1.070 CV 1 OR { 1776} (( segid " " and resid 50 and name HN )) (( segid " " and resid 14 and name HG12)) OR { 1776} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 1777} (( segid " " and resid 50 and name HN )) ( segid " " and resid 48 and name HG1%) 4.400 2.400 1.600 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.46482E-03 ppm1 8.813 ppm2 0.991 CV 1 OR { 1777} (( segid " " and resid 50 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 1777} (( segid " " and resid 50 and name HN )) (( segid " " and resid 40 and name H5B )) OR { 1777} (( segid " " and resid 50 and name HN )) (( segid " " and resid 40 and name H5A )) ASSI { 1778} (( segid " " and resid 50 and name HN )) ( segid " " and resid 47 and name HG1%) 4.300 2.300 1.700 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.86601E-03 ppm1 8.810 ppm2 0.874 CV 1 OR { 1778} (( segid " " and resid 50 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 1778} (( segid " " and resid 50 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 1778} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 1780} (( segid " " and resid 50 and name HN )) ( segid " " and resid 46 and name HG1%) 4.100 2.100 1.900 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.60322E-03 ppm1 8.809 ppm2 0.652 CV 1 OR { 1780} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HG2 )) OR { 1780} (( segid " " and resid 50 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 1781} (( segid " " and resid 50 and name HN )) ( segid " " and resid 58 and name HD1%) 5.000 3.100 1.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.28188E-03 ppm1 8.815 ppm2 0.563 CV 1 OR { 1781} (( segid " " and resid 50 and name HN )) ( segid " " and resid 76 and name HG2%) OR { 1781} (( segid " " and resid 50 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 1782} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.500 1.600 1.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.10947E-02 ppm1 8.812 ppm2 4.242 CV 1 OR { 1782} (( segid " " and resid 50 and name HN )) (( segid " " and resid 11 and name HA )) ASSI { 1783} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HA )) 5.500 3.800 0.500 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.22608E-03 ppm1 8.812 ppm2 4.151 CV 1 OR { 1783} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 1784} (( segid " " and resid 50 and name HN )) (( segid " " and resid 45 and name HA )) 4.400 2.400 1.600 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.24073E-03 ppm1 8.813 ppm2 4.066 CV 1 OR { 1784} (( segid " " and resid 50 and name HN )) (( segid " " and resid 10 and name HA1 )) OR { 1784} (( segid " " and resid 50 and name HN )) (( segid " " and resid 72 and name HA )) ASSI { 1785} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 2.600 0.800 0.800 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.29951E-02 ppm1 8.811 ppm2 3.960 CV 1 OR { 1785} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 1790} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HA )) 3.700 1.700 1.700 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.53886E-03 ppm1 8.811 ppm2 3.417 CV 1 OR { 1790} (( segid " " and resid 50 and name HN )) (( segid " " and resid 54 and name HB1 )) ASSI { 1793} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HD2 )) 6.000 6.000 0.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.38439E-04 ppm1 8.809 ppm2 2.714 CV 1 OR { 1793} (( segid " " and resid 50 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 1799} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 2.400 0.700 0.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.46354E-02 ppm1 8.811 ppm2 7.905 CV 1 OR { 1799} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 1816} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HN )) 4.500 2.600 1.500 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.44193E-03 ppm1 8.859 ppm2 8.223 CV 1 OR { 1816} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HN )) ASSI { 1819} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HN )) 4.100 2.100 1.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.66352E-03 ppm1 8.860 ppm2 7.902 CV 1 OR { 1819} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 1820} (( segid " " and resid 51 and name HN )) (( segid " " and resid 55 and name HN )) 5.000 3.100 1.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.32322E-03 ppm1 8.860 ppm2 7.816 CV 1 OR { 1820} (( segid " " and resid 51 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 1831} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 3.000 1.100 1.100 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.20288E-02 ppm1 8.859 ppm2 3.953 CV 1 OR { 1831} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 1837} (( segid " " and resid 51 and name HN )) (( segid " " and resid 58 and name HB )) 5.400 3.700 0.600 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.26887E-03 ppm1 8.858 ppm2 1.672 CV 1 OR { 1837} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HB2 )) OR { 1837} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HD2 )) OR { 1837} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HD1 )) OR { 1837} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HB1 )) ASSI { 1838} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HB1 )) 5.500 3.700 0.500 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.24651E-03 ppm1 8.858 ppm2 1.596 CV 1 OR { 1838} (( segid " " and resid 51 and name HN )) ( segid " " and resid 72 and name HB% ) ASSI { 1843} (( segid " " and resid 51 and name HN )) (( segid " " and resid 54 and name HB2 )) 5.300 3.500 0.700 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.15769E-03 ppm1 8.856 ppm2 2.730 CV 1 OR { 1843} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HD2 )) ASSI { 1848} (( segid " " and resid 51 and name HN )) (( segid " " and resid 47 and name HB )) 5.100 3.200 0.900 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.33261E-03 ppm1 8.856 ppm2 2.209 CV 1 OR { 1848} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HG2 )) ASSI { 1849} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.23408E-02 ppm1 8.861 ppm2 2.117 CV 1 OR { 1849} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 1850} (( segid " " and resid 51 and name HN )) ( segid " " and resid 48 and name HG2%) 4.300 2.300 1.700 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.38452E-03 ppm1 8.865 ppm2 1.101 CV 1 OR { 1850} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 1850} (( segid " " and resid 51 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 1851} (( segid " " and resid 51 and name HN )) ( segid " " and resid 48 and name HG1%) 4.500 2.500 1.500 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.47080E-03 ppm1 8.857 ppm2 0.976 CV 1 OR { 1851} (( segid " " and resid 51 and name HN )) ( segid " " and resid 56 and name HG1%) OR { 1851} (( segid " " and resid 51 and name HN )) ( segid " " and resid 56 and name HG2%) ASSI { 1852} (( segid " " and resid 51 and name HN )) ( segid " " and resid 47 and name HG1%) 4.200 2.200 1.800 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.78863E-03 ppm1 8.865 ppm2 0.884 CV 1 OR { 1852} (( segid " " and resid 51 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 1852} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HG1 )) OR { 1852} (( segid " " and resid 51 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 1852} (( segid " " and resid 51 and name HN )) ( segid " " and resid 56 and name HG1%) OR { 1852} (( segid " " and resid 51 and name HN )) (( segid " " and resid 58 and name HG12)) ASSI { 1854} (( segid " " and resid 51 and name HN )) ( segid " " and resid 58 and name HD1%) 4.200 2.200 1.800 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.57061E-03 ppm1 8.861 ppm2 0.575 CV 1 OR { 1854} (( segid " " and resid 51 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 1854} (( segid " " and resid 51 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 1856} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG1 )) 4.600 2.700 1.400 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.57431E-03 ppm1 7.727 ppm2 2.829 CV 1 OR { 1856} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HD1 )) ASSI { 1859} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.400 1.400 1.400 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.30644E-02 ppm1 7.728 ppm2 2.462 CV 1 OR { 1859} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 1861} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.500 0.800 0.800 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.51008E-02 ppm1 7.727 ppm2 2.134 CV 1 OR { 1861} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 1865} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.700 2.700 1.300 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.31719E-03 ppm1 7.726 ppm2 1.575 CV 1 OR { 1865} (( segid " " and resid 52 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 1868} (( segid " " and resid 52 and name HN )) ( segid " " and resid 48 and name HG1%) 4.300 2.300 1.700 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.36645E-03 ppm1 7.730 ppm2 1.008 CV 1 OR { 1868} (( segid " " and resid 52 and name HN )) ( segid " " and resid 56 and name HG2%) ASSI { 1869} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HG1 )) 5.900 4.400 0.100 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.20669E-03 ppm1 7.729 ppm2 0.896 CV 1 OR { 1869} (( segid " " and resid 52 and name HN )) ( segid " " and resid 47 and name HG1%) OR { 1869} (( segid " " and resid 52 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 1870} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HG1 )) 5.900 4.400 0.100 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.23072E-03 ppm1 7.718 ppm2 0.849 CV 1 OR { 1870} (( segid " " and resid 52 and name HN )) ( segid " " and resid 47 and name HG1%) ASSI { 1874} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 3.200 1.300 1.300 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 7.729 ppm2 4.228 CV 1 OR { 1874} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 1877} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) 3.700 1.700 1.700 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.97883E-03 ppm1 7.730 ppm2 3.944 CV 1 OR { 1877} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HA )) OR { 1877} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 1887} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.28849E-02 ppm1 7.727 ppm2 8.859 CV 1 OR { 1887} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 1896} (( segid " " and resid 52 and name HN )) (( segid " " and resid 55 and name HN )) 3.400 1.400 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 7.729 ppm2 7.860 CV 1 OR { 1896} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HN )) OR { 1896} (( segid " " and resid 52 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 1897} (( segid " " and resid 52 and name HN )) (( segid " " and resid 55 and name HN )) 3.200 1.300 1.300 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.28229E-02 ppm1 7.728 ppm2 7.826 CV 1 OR { 1897} (( segid " " and resid 52 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 1905} (( segid " " and resid 53 and name HN )) (( segid " " and resid 55 and name HN )) 4.200 2.200 1.800 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.56787E-03 ppm1 8.203 ppm2 7.818 CV 1 OR { 1905} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 1910} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HN )) 4.700 2.800 1.300 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.30991E-03 ppm1 8.206 ppm2 8.824 CV 1 OR { 1910} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 1917} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 3.900 1.900 1.900 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.59998E-03 ppm1 8.205 ppm2 4.232 CV 1 OR { 1917} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 1919} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.30748E-02 ppm1 8.205 ppm2 3.921 CV 1 OR { 1919} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 1922} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HD2 )) 4.900 3.000 1.100 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.38759E-03 ppm1 8.211 ppm2 2.721 CV 1 OR { 1922} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 1923} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG1 )) 4.800 2.900 1.200 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.32903E-03 ppm1 8.211 ppm2 2.438 CV 1 OR { 1923} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HB1 )) ASSI { 1924} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 8.201 ppm2 2.136 CV 1 OR { 1924} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 1943} (( segid " " and resid 54 and name HN )) ( segid " " and resid 76 and name HG2%) 5.100 3.200 0.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.34537E-03 ppm1 8.132 ppm2 0.529 CV 1 OR { 1943} (( segid " " and resid 54 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 1943} (( segid " " and resid 54 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 1949} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HB )) 5.000 3.100 1.000 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.20432E-03 ppm1 8.132 ppm2 2.038 CV 1 OR { 1949} (( segid " " and resid 54 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 1953} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HD1 )) 5.500 3.800 0.500 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.23352E-03 ppm1 8.132 ppm2 2.851 CV 1 OR { 1953} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HG1 )) ASSI { 1954} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.32832E-02 ppm1 8.130 ppm2 2.742 CV 1 OR { 1954} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HD2 )) ASSI { 1960} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 3.600 1.600 1.600 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.12034E-02 ppm1 8.130 ppm2 3.928 CV 1 OR { 1960} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 1963} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.200 0.600 0.600 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.48368E-02 ppm1 8.130 ppm2 7.833 CV 1 OR { 1963} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 1999} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.900 1.900 1.900 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.58696E-03 ppm1 7.825 ppm2 2.548 CV 1 OR { 1999} (( segid " " and resid 56 and name HN )) (( segid " " and resid 79 and name HB2 )) ASSI { 2002} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HG11)) 5.500 3.800 0.500 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.16696E-03 ppm1 7.825 ppm2 1.511 CV 1 OR { 2002} (( segid " " and resid 56 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 2003} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HB2 )) 5.400 3.600 0.600 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.25301E-03 ppm1 7.826 ppm2 1.683 CV 1 OR { 2003} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HB1 )) OR { 2003} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HD2 )) OR { 2003} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 2004} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HD1%) 4.900 3.100 1.100 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.21390E-03 ppm1 7.829 ppm2 0.538 CV 1 OR { 2004} (( segid " " and resid 56 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 2008} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 2.500 0.800 0.800 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.50976E-02 ppm1 9.879 ppm2 1.681 CV 1 OR { 2008} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB1 )) OR { 2008} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB2 )) OR { 2008} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HD2 )) ASSI { 2009} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG11)) 2.700 0.900 0.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.21865E-02 ppm1 9.879 ppm2 1.534 CV 1 OR { 2009} (( segid " " and resid 58 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 2012} (( segid " " and resid 58 and name HN )) ( segid " " and resid 56 and name HG1%) 4.600 2.700 1.400 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.37943E-03 ppm1 9.879 ppm2 0.955 CV 1 OR { 2012} (( segid " " and resid 58 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 2012} (( segid " " and resid 58 and name HN )) (( segid " " and resid 76 and name HG12)) OR { 2012} (( segid " " and resid 58 and name HN )) ( segid " " and resid 56 and name HG2%) ASSI { 2013} (( segid " " and resid 58 and name HN )) ( segid " " and resid 47 and name HG1%) 3.400 1.400 1.400 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 9.879 ppm2 0.860 CV 1 OR { 2013} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG12)) OR { 2013} (( segid " " and resid 58 and name HN )) ( segid " " and resid 47 and name HG2%) ASSI { 2016} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HD1%) 2.900 1.100 1.100 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.85230E-03 ppm1 9.879 ppm2 0.574 CV 1 OR { 2016} (( segid " " and resid 58 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 2026} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HB1 )) 5.000 3.100 1.000 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.23493E-03 ppm1 9.880 ppm2 2.401 CV 1 OR { 2026} (( segid " " and resid 58 and name HN )) (( segid " " and resid 62 and name HB1 )) OR { 2026} (( segid " " and resid 58 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 2030} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HG1 )) 5.400 3.700 0.600 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.20983E-03 ppm1 9.879 ppm2 2.013 CV 1 OR { 2030} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB )) OR { 2030} (( segid " " and resid 58 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 2085} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.100 1.200 1.200 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.37988E-02 ppm1 8.672 ppm2 2.623 CV 1 OR { 2085} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) OR { 2085} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB1 )) ASSI { 2087} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB1 )) 4.100 2.100 1.900 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.78803E-03 ppm1 8.674 ppm2 2.394 CV 1 OR { 2087} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HB1 )) OR { 2087} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 2090} (( segid " " and resid 61 and name HN )) (( segid " " and resid 58 and name HB )) 5.900 4.400 0.100 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.12969E-03 ppm1 8.677 ppm2 1.674 CV 1 OR { 2090} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HD2 )) OR { 2090} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HD1 )) ASSI { 2092} (( segid " " and resid 61 and name HN )) ( segid " " and resid 47 and name HG1%) 4.700 2.700 1.300 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.29138E-03 ppm1 8.677 ppm2 0.902 CV 1 OR { 2092} (( segid " " and resid 61 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 2092} (( segid " " and resid 61 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 2093} (( segid " " and resid 61 and name HN )) ( segid " " and resid 63 and name HG1%) 4.300 2.300 1.700 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.40078E-03 ppm1 8.675 ppm2 0.820 CV 1 OR { 2093} (( segid " " and resid 61 and name HN )) ( segid " " and resid 47 and name HG1%) ASSI { 2146} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB1 )) 4.800 2.900 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.37494E-03 ppm1 7.579 ppm2 1.779 CV 1 OR { 2146} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HG )) OR { 2146} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 2147} (( segid " " and resid 63 and name HN )) (( segid " " and resid 58 and name HB )) 5.600 3.900 0.400 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.22255E-03 ppm1 7.579 ppm2 1.685 CV 1 OR { 2147} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HD2 )) OR { 2147} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HD1 )) ASSI { 2154} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HG2%) 3.000 1.100 1.100 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.53617E-02 ppm1 7.576 ppm2 0.896 CV 1 OR { 2154} (( segid " " and resid 63 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 2154} (( segid " " and resid 63 and name HN )) (( segid " " and resid 40 and name H4A )) ASSI { 2158} (( segid " " and resid 63 and name HN )) ( segid " " and resid 66 and name HD2%) 5.300 3.600 0.700 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.33198E-03 ppm1 7.580 ppm2 0.587 CV 1 OR { 2158} (( segid " " and resid 63 and name HN )) ( segid " " and resid 58 and name HD1%) ASSI { 2173} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HB1 )) 5.000 3.100 1.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.13971E-03 ppm1 7.175 ppm2 2.627 CV 1 OR { 2173} (( segid " " and resid 64 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 2174} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H38B)) 5.400 3.600 0.600 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.16708E-03 ppm1 7.172 ppm2 2.439 CV 1 OR { 2174} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H38A)) OR { 2174} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB2 )) OR { 2174} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 2175} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HE1 )) 5.400 3.700 0.600 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.18132E-03 ppm1 7.174 ppm2 3.015 CV 1 OR { 2175} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HE2 )) OR { 2175} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HB1 )) ASSI { 2176} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.10664E-02 ppm1 7.173 ppm2 3.206 CV 1 OR { 2176} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H42A)) OR { 2176} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H42B)) ASSI { 2193} (( segid " " and resid 64 and name HN )) (( segid " " and resid 66 and name HN )) 4.100 2.100 1.900 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.81709E-03 ppm1 7.174 ppm2 7.692 CV 1 OR { 2193} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HD22)) ASSI { 2205} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) 2.500 0.800 0.800 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.58353E-02 ppm1 7.267 ppm2 7.716 CV 1 OR { 2205} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HD22)) ASSI { 2221} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HA )) 4.700 2.700 1.300 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.31894E-03 ppm1 7.267 ppm2 4.478 CV 1 OR { 2221} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 2222} (( segid " " and resid 65 and name HN )) (( segid " " and resid 61 and name HA )) 4.600 2.700 1.400 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.60222E-04 ppm1 7.270 ppm2 4.315 CV 1 OR { 2222} (( segid " " and resid 65 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 2224} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB1 )) 3.600 1.700 1.700 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.18593E-02 ppm1 7.268 ppm2 3.052 CV 1 OR { 2224} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HE1 )) ASSI { 2227} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HB )) 5.200 3.400 0.800 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.20455E-03 ppm1 7.261 ppm2 2.018 CV 1 OR { 2227} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 2227} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 2228} (( segid " " and resid 65 and name HN )) (( segid " " and resid 40 and name H38B)) 3.700 1.700 1.700 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.17402E-03 ppm1 7.265 ppm2 2.477 CV 1 OR { 2228} (( segid " " and resid 65 and name HN )) (( segid " " and resid 40 and name H38A)) OR { 2228} (( segid " " and resid 65 and name HN )) (( segid " " and resid 61 and name HB2 )) ASSI { 2230} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HG )) 3.100 1.200 1.200 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 7.267 ppm2 1.789 CV 1 OR { 2230} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB2 )) OR { 2230} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB1 )) ASSI { 2232} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HG1 )) 6.000 4.800 0.000 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.12915E-03 ppm1 7.267 ppm2 1.569 CV 1 OR { 2232} (( segid " " and resid 65 and name HN )) ( segid " " and resid 72 and name HB% ) ASSI { 2235} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB2 )) 4.800 2.800 1.200 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.25279E-03 ppm1 7.268 ppm2 0.910 CV 1 OR { 2235} (( segid " " and resid 65 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 2236} (( segid " " and resid 65 and name HN )) ( segid " " and resid 63 and name HG1%) 5.100 3.200 0.900 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.20309E-03 ppm1 7.268 ppm2 0.819 CV 1 OR { 2236} (( segid " " and resid 65 and name HN )) (( segid " " and resid 40 and name H4A )) OR { 2236} (( segid " " and resid 65 and name HN )) (( segid " " and resid 40 and name H4B )) ASSI { 2237} (( segid " " and resid 65 and name HN )) ( segid " " and resid 66 and name HD2%) 4.400 2.400 1.600 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.48007E-03 ppm1 7.267 ppm2 0.599 CV 1 OR { 2237} (( segid " " and resid 65 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 2243} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H37B)) 4.200 2.200 1.800 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11937E-03 ppm1 7.718 ppm2 3.471 CV 1 OR { 2243} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H37A)) OR { 2243} (( segid " " and resid 66 and name HN )) (( segid " " and resid 76 and name HA )) ASSI { 2245} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) 4.600 2.700 1.400 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.54453E-03 ppm1 7.716 ppm2 3.077 CV 1 OR { 2245} (( segid " " and resid 66 and name HN )) (( segid " " and resid 71 and name HB1 )) OR { 2245} (( segid " " and resid 66 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 2253} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB1 )) 4.900 3.000 1.100 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.38745E-03 ppm1 7.718 ppm2 2.057 CV 1 OR { 2253} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB )) OR { 2253} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 2254} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HB )) 5.500 3.800 0.500 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.14384E-03 ppm1 7.717 ppm2 1.992 CV 1 OR { 2254} (( segid " " and resid 66 and name HN )) (( segid " " and resid 76 and name HG11)) OR { 2254} (( segid " " and resid 66 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 2256} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HG )) 2.300 0.700 0.700 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.50360E-02 ppm1 7.716 ppm2 1.793 CV 1 OR { 2256} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 2257} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HD1 )) 3.900 1.900 1.900 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.46034E-03 ppm1 7.715 ppm2 1.701 CV 1 OR { 2257} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HD2 )) OR { 2257} (( segid " " and resid 66 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 2258} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG1 )) 5.800 4.200 0.200 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.26194E-03 ppm1 7.718 ppm2 1.572 CV 1 OR { 2258} (( segid " " and resid 66 and name HN )) ( segid " " and resid 72 and name HB% ) ASSI { 2266} (( segid " " and resid 66 and name HN )) ( segid " " and resid 63 and name HG1%) 4.600 2.600 1.400 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.34668E-03 ppm1 7.714 ppm2 0.815 CV 1 OR { 2266} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H4A )) OR { 2266} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H4B )) ASSI { 2284} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.26488E-02 ppm1 7.716 ppm2 4.484 CV 1 OR { 2284} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 2286} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HN )) 5.400 3.600 0.600 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.18278E-03 ppm1 7.712 ppm2 8.608 CV 1 OR { 2286} (( segid " " and resid 66 and name HN )) (( segid " " and resid 73 and name HN )) ASSI { 2289} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H41A)) 3.100 3.100 2.900 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.91538E-03 ppm1 7.716 ppm2 8.050 CV 1 OR { 2289} (( segid " " and resid 66 and name HN )) (( segid " " and resid 74 and name HN )) ASSI { 2309} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) 4.700 2.700 1.300 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.15915E-03 ppm1 8.209 ppm2 4.885 CV 1 OR { 2309} (( segid " " and resid 67 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 2310} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.200 0.600 0.600 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.93315E-02 ppm1 8.209 ppm2 4.485 CV 1 OR { 2310} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 2311} (( segid " " and resid 67 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.600 1.700 1.700 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.20098E-02 ppm1 8.210 ppm2 3.114 CV 1 OR { 2311} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE2 )) OR { 2311} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE1 )) ASSI { 2316} (( segid " " and resid 67 and name HN )) (( segid " " and resid 40 and name H38B)) 3.800 3.800 2.200 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.14576E-03 ppm1 8.205 ppm2 2.478 CV 1 OR { 2316} (( segid " " and resid 67 and name HN )) (( segid " " and resid 40 and name H38A)) OR { 2316} (( segid " " and resid 67 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 2321} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD1 )) 4.300 2.300 1.700 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.90894E-03 ppm1 8.210 ppm2 1.769 CV 1 OR { 2321} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD2 )) OR { 2321} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG )) ASSI { 2326} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.700 1.800 1.800 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.58824E-03 ppm1 8.211 ppm2 0.965 CV 1 OR { 2326} (( segid " " and resid 67 and name HN )) (( segid " " and resid 40 and name H5B )) ASSI { 2327} (( segid " " and resid 67 and name HN )) ( segid " " and resid 63 and name HG2%) 4.900 3.000 1.100 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.29311E-03 ppm1 8.216 ppm2 0.869 CV 1 OR { 2327} (( segid " " and resid 67 and name HN )) (( segid " " and resid 40 and name H4A )) OR { 2327} (( segid " " and resid 67 and name HN )) (( segid " " and resid 40 and name H4B )) OR { 2327} (( segid " " and resid 67 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 2329} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HD2%) 4.000 2.000 2.000 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.12264E-02 ppm1 8.209 ppm2 0.601 CV 1 OR { 2329} (( segid " " and resid 67 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 2335} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HD2 )) 4.700 2.800 1.300 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.28314E-03 ppm1 8.596 ppm2 1.763 CV 1 OR { 2335} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HD1 )) OR { 2335} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HG )) ASSI { 2336} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG1 )) 3.800 1.800 1.800 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.46491E-03 ppm1 8.597 ppm2 1.577 CV 1 OR { 2336} (( segid " " and resid 68 and name HN )) ( segid " " and resid 72 and name HB% ) ASSI { 2339} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HB2 )) 4.600 2.600 1.400 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.32534E-03 ppm1 8.597 ppm2 0.969 CV 1 OR { 2339} (( segid " " and resid 68 and name HN )) (( segid " " and resid 40 and name H5A )) ASSI { 2340} (( segid " " and resid 68 and name HN )) ( segid " " and resid 66 and name HD2%) 5.100 3.300 0.900 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.40160E-03 ppm1 8.601 ppm2 0.606 CV 1 OR { 2340} (( segid " " and resid 68 and name HN )) ( segid " " and resid 69 and name HG2%) OR { 2340} (( segid " " and resid 68 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 2341} (( segid " " and resid 68 and name HN )) ( segid " " and resid 69 and name HG1%) 5.800 4.200 0.200 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.21349E-03 ppm1 8.597 ppm2 0.444 CV 1 OR { 2341} (( segid " " and resid 68 and name HN )) ( segid " " and resid 66 and name HD1%) ASSI { 2346} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 8.599 ppm2 4.489 CV 1 OR { 2346} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) OR { 2346} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HA )) ASSI { 2349} (( segid " " and resid 68 and name HN )) (( segid " " and resid 31 and name HB1 )) 5.900 4.300 0.100 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.13973E-03 ppm1 8.599 ppm2 4.113 CV 1 OR { 2349} (( segid " " and resid 68 and name HN )) (( segid " " and resid 72 and name HA )) OR { 2349} (( segid " " and resid 68 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 2356} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.600 0.900 0.900 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.49862E-02 ppm1 8.598 ppm2 8.207 CV 1 OR { 2356} (( segid " " and resid 68 and name HN )) (( segid " " and resid 72 and name HN )) OR { 2356} (( segid " " and resid 68 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 2379} (( segid " " and resid 69 and name HN )) (( segid " " and resid 29 and name HA )) 4.200 2.200 1.800 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.55563E-03 ppm1 8.142 ppm2 4.509 CV 1 OR { 2379} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HA )) OR { 2379} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 2380} (( segid " " and resid 69 and name HN )) (( segid " " and resid 29 and name HA )) 4.400 2.500 1.600 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.34055E-03 ppm1 8.139 ppm2 4.449 CV 1 OR { 2380} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 2383} (( segid " " and resid 69 and name HN )) (( segid " " and resid 32 and name HA )) 4.800 2.900 1.200 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.20040E-03 ppm1 8.138 ppm2 4.099 CV 1 OR { 2383} (( segid " " and resid 69 and name HN )) (( segid " " and resid 72 and name HA )) ASSI { 2385} (( segid " " and resid 69 and name HN )) (( segid " " and resid 28 and name HA )) 4.400 2.400 1.600 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.74501E-03 ppm1 8.139 ppm2 3.578 CV 1 OR { 2385} (( segid " " and resid 69 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 2387} (( segid " " and resid 69 and name HN )) (( segid " " and resid 35 and name HB1 )) 4.900 3.000 1.100 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.79648E-04 ppm1 8.136 ppm2 3.046 CV 1 OR { 2387} (( segid " " and resid 69 and name HN )) (( segid " " and resid 74 and name HE2 )) OR { 2387} (( segid " " and resid 69 and name HN )) (( segid " " and resid 74 and name HE1 )) ASSI { 2391} (( segid " " and resid 69 and name HN )) ( segid " " and resid 72 and name HB% ) 4.900 3.000 1.100 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.15007E-03 ppm1 8.137 ppm2 1.582 CV 1 OR { 2391} (( segid " " and resid 69 and name HN )) (( segid " " and resid 27 and name HB2 )) ASSI { 2394} (( segid " " and resid 69 and name HN )) ( segid " " and resid 28 and name HD1%) 5.200 3.400 0.800 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.35258E-03 ppm1 8.144 ppm2 0.799 CV 1 OR { 2394} (( segid " " and resid 69 and name HN )) ( segid " " and resid 36 and name HD2%) ASSI { 2397} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG2%) 4.400 2.500 1.600 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.67553E-03 ppm1 9.410 ppm2 1.060 CV 1 OR { 2397} (( segid " " and resid 70 and name HN )) ( segid " " and resid 8 and name HG2%) OR { 2397} (( segid " " and resid 70 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 2398} (( segid " " and resid 70 and name HN )) ( segid " " and resid 28 and name HD2%) 5.100 3.300 0.900 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.41229E-03 ppm1 9.410 ppm2 0.899 CV 1 OR { 2398} (( segid " " and resid 70 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 2400} (( segid " " and resid 70 and name HN )) ( segid " " and resid 26 and name HG1%) 3.700 1.800 1.800 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.16312E-03 ppm1 9.413 ppm2 0.736 CV 1 OR { 2400} (( segid " " and resid 70 and name HN )) ( segid " " and resid 36 and name HD2%) ASSI { 2405} (( segid " " and resid 70 and name HN )) (( segid " " and resid 27 and name HB1 )) 4.300 2.300 1.700 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.13749E-03 ppm1 9.413 ppm2 2.043 CV 1 OR { 2405} (( segid " " and resid 70 and name HN )) (( segid " " and resid 30 and name HB1 )) OR { 2405} (( segid " " and resid 70 and name HN )) (( segid " " and resid 8 and name HB )) OR { 2405} (( segid " " and resid 70 and name HN )) (( segid " " and resid 4 and name HB2 )) OR { 2405} (( segid " " and resid 70 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 2407} (( segid " " and resid 70 and name HN )) ( segid " " and resid 72 and name HB% ) 4.900 3.000 1.100 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.13686E-03 ppm1 9.408 ppm2 1.582 CV 1 OR { 2407} (( segid " " and resid 70 and name HN )) (( segid " " and resid 27 and name HB2 )) OR { 2407} (( segid " " and resid 70 and name HN )) (( segid " " and resid 7 and name HG11)) ASSI { 2411} (( segid " " and resid 70 and name HN )) (( segid " " and resid 4 and name HG2 )) 5.800 4.200 0.200 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.12309E-03 ppm1 9.405 ppm2 2.182 CV 1 OR { 2411} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HB1 )) ASSI { 2422} (( segid " " and resid 70 and name HN )) (( segid " " and resid 29 and name HA )) 4.100 2.100 1.900 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.46025E-03 ppm1 9.411 ppm2 4.486 CV 1 OR { 2422} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) OR { 2422} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 2434} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 2.700 0.900 0.900 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.18735E-02 ppm1 9.411 ppm2 8.341 CV 1 OR { 2434} (( segid " " and resid 70 and name HN )) (( segid " " and resid 29 and name HN )) ASSI { 2435} (( segid " " and resid 70 and name HN )) (( segid " " and resid 32 and name HN )) 4.000 2.000 2.000 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.25712E-03 ppm1 9.408 ppm2 8.239 CV 1 OR { 2435} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HN )) OR { 2435} (( segid " " and resid 70 and name HN )) (( segid " " and resid 78 and name HN )) ASSI { 2436} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.600 0.900 0.900 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.20756E-02 ppm1 9.410 ppm2 8.141 CV 1 OR { 2436} (( segid " " and resid 70 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 2446} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.900 1.000 1.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.31609E-02 ppm1 8.341 ppm2 4.502 CV 1 OR { 2446} (( segid " " and resid 71 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 2463} (( segid " " and resid 71 and name HN )) ( segid " " and resid 68 and name HG2%) 4.400 2.400 1.600 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.75789E-03 ppm1 8.343 ppm2 1.058 CV 1 OR { 2463} (( segid " " and resid 71 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 2466} (( segid " " and resid 71 and name HN )) ( segid " " and resid 66 and name HD2%) 4.900 3.000 1.100 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.38177E-03 ppm1 8.340 ppm2 0.631 CV 1 OR { 2466} (( segid " " and resid 71 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 2473} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HN )) 3.800 1.800 1.800 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.94964E-03 ppm1 8.346 ppm2 8.602 CV 1 OR { 2473} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HN )) ASSI { 2477} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HN )) 3.100 1.200 1.200 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.18436E-02 ppm1 8.642 ppm2 8.364 CV 1 OR { 2477} (( segid " " and resid 73 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 2485} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HN )) 3.400 1.500 1.500 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.19075E-02 ppm1 8.643 ppm2 8.512 CV 1 OR { 2485} (( segid " " and resid 73 and name HN )) (( segid " " and resid 77 and name HN )) ASSI { 2491} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HA )) 5.100 3.300 0.900 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.32318E-03 ppm1 8.645 ppm2 3.931 CV 1 OR { 2491} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HA )) OR { 2491} (( segid " " and resid 73 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 2492} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA2 )) 3.400 1.500 1.500 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.11843E-02 ppm1 8.644 ppm2 3.781 CV 1 OR { 2492} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HD2 )) OR { 2492} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HD1 )) ASSI { 2496} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HA )) 3.500 1.500 1.500 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.56083E-03 ppm1 8.642 ppm2 3.395 CV 1 OR { 2496} (( segid " " and resid 73 and name HN )) (( segid " " and resid 8 and name HA )) ASSI { 2497} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HB1 )) 4.900 3.000 1.100 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.32959E-03 ppm1 8.643 ppm2 3.107 CV 1 OR { 2497} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HB1 )) OR { 2497} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 2498} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HE1 )) 6.000 4.700 0.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.87304E-04 ppm1 8.661 ppm2 3.002 CV 1 OR { 2498} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HE2 )) OR { 2498} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HE1 )) OR { 2498} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HE2 )) ASSI { 2499} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.900 1.900 1.900 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.12772E-03 ppm1 8.647 ppm2 2.937 CV 1 OR { 2499} (( segid " " and resid 61 and name HN )) (( segid " " and resid 71 and name HB2 )) ASSI { 2501} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HB )) 5.800 4.200 0.200 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.74734E-04 ppm1 8.642 ppm2 2.234 CV 1 OR { 2501} (( segid " " and resid 73 and name HN )) (( segid " " and resid 4 and name HG1 )) OR { 2501} (( segid " " and resid 61 and name HN )) (( segid " " and resid 40 and name H2A )) OR { 2501} (( segid " " and resid 73 and name HN )) (( segid " " and resid 78 and name HB2 )) OR { 2501} (( segid " " and resid 61 and name HN )) (( segid " " and resid 40 and name H2B )) ASSI { 2502} (( segid " " and resid 73 and name HN )) (( segid " " and resid 66 and name HB1 )) 5.700 4.000 0.300 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.12149E-03 ppm1 8.636 ppm2 2.143 CV 1 OR { 2502} (( segid " " and resid 73 and name HN )) (( segid " " and resid 4 and name HG2 )) ASSI { 2504} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB1 )) 4.600 2.700 1.400 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.61629E-03 ppm1 8.644 ppm2 1.985 CV 1 OR { 2504} (( segid " " and resid 61 and name HN )) (( segid " " and resid 63 and name HB )) OR { 2504} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HG1 )) OR { 2504} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 2505} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HB )) 6.000 6.000 0.000 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.18013E-05 ppm1 8.633 ppm2 1.830 CV 1 OR { 2505} (( segid " " and resid 73 and name HN )) (( segid " " and resid 7 and name HB )) OR { 2505} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HB1 )) OR { 2505} (( segid " " and resid 73 and name HN )) (( segid " " and resid 66 and name HG )) ASSI { 2506} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HB )) 5.000 3.100 1.000 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.32013E-03 ppm1 8.643 ppm2 1.763 CV 1 OR { 2506} (( segid " " and resid 73 and name HN )) (( segid " " and resid 7 and name HB )) OR { 2506} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HD1 )) OR { 2506} (( segid " " and resid 73 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 2506} (( segid " " and resid 73 and name HN )) (( segid " " and resid 66 and name HG )) OR { 2506} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 2510} (( segid " " and resid 73 and name HN )) ( segid " " and resid 76 and name HD1%) 3.800 1.800 1.800 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.11077E-02 ppm1 8.643 ppm2 0.642 CV 1 OR { 2510} (( segid " " and resid 73 and name HN )) ( segid " " and resid 66 and name HD2%) OR { 2510} (( segid " " and resid 73 and name HN )) ( segid " " and resid 40 and name H6% ) ASSI { 2511} (( segid " " and resid 73 and name HN )) ( segid " " and resid 66 and name HD1%) 4.800 2.800 1.200 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.26272E-03 ppm1 8.644 ppm2 0.441 CV 1 OR { 2511} (( segid " " and resid 73 and name HN )) ( segid " " and resid 69 and name HG1%) ASSI { 2512} (( segid " " and resid 73 and name HN )) ( segid " " and resid 11 and name HD1%) 3.400 1.500 1.500 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.14905E-02 ppm1 8.646 ppm2 0.831 CV 1 OR { 2512} (( segid " " and resid 61 and name HN )) ( segid " " and resid 63 and name HG1%) OR { 2512} (( segid " " and resid 61 and name HN )) ( segid " " and resid 47 and name HG1%) OR { 2512} (( segid " " and resid 73 and name HN )) ( segid " " and resid 28 and name HD1%) OR { 2512} (( segid " " and resid 73 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 2512} (( segid " " and resid 73 and name HN )) (( segid " " and resid 58 and name HG12)) OR { 2512} (( segid " " and resid 73 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 2513} (( segid " " and resid 73 and name HN )) ( segid " " and resid 7 and name HG2%) 4.200 2.200 1.800 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.78127E-03 ppm1 8.644 ppm2 0.555 CV 1 OR { 2513} (( segid " " and resid 73 and name HN )) ( segid " " and resid 66 and name HD2%) OR { 2513} (( segid " " and resid 73 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 2513} (( segid " " and resid 73 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 2515} (( segid " " and resid 74 and name HN )) ( segid " " and resid 66 and name HD2%) 4.700 2.700 1.300 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.37596E-03 ppm1 8.040 ppm2 0.562 CV 1 OR { 2515} (( segid " " and resid 74 and name HN )) ( segid " " and resid 7 and name HD1%) OR { 2515} (( segid " " and resid 74 and name HN )) ( segid " " and resid 7 and name HG2%) OR { 2515} (( segid " " and resid 74 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 2525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD1 )) 4.300 2.300 1.700 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.57189E-03 ppm1 8.044 ppm2 1.771 CV 1 OR { 2525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HB )) OR { 2525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 2525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 7 and name HB )) ASSI { 2526} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD2 )) 5.000 3.100 1.000 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.36165E-03 ppm1 8.041 ppm2 1.668 CV 1 OR { 2526} (( segid " " and resid 74 and name HN )) (( segid " " and resid 77 and name HB2 )) OR { 2526} (( segid " " and resid 46 and name HN )) (( segid " " and resid 18 and name HB )) OR { 2526} (( segid " " and resid 46 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 2527} (( segid " " and resid 74 and name HN )) ( segid " " and resid 72 and name HB% ) 4.600 2.600 1.400 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.40920E-03 ppm1 8.041 ppm2 1.591 CV 1 OR { 2527} (( segid " " and resid 46 and name HN )) (( segid " " and resid 18 and name HB )) OR { 2527} (( segid " " and resid 74 and name HN )) (( segid " " and resid 7 and name HG11)) ASSI { 2533} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB )) 2.700 0.900 0.900 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.40313E-02 ppm1 8.041 ppm2 4.185 CV 1 OR { 2533} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HA )) ASSI { 2536} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.700 0.900 0.900 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.34463E-02 ppm1 8.040 ppm2 3.942 CV 1 OR { 2536} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 2539} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 2.900 1.000 1.000 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.22109E-02 ppm1 8.040 ppm2 3.661 CV 1 OR { 2539} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 2546} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.300 0.700 0.700 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.48250E-02 ppm1 8.041 ppm2 7.943 CV 1 OR { 2546} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 2550} (( segid " " and resid 74 and name HN )) (( segid " " and resid 76 and name HN )) 4.300 2.300 1.700 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.42427E-03 ppm1 8.040 ppm2 8.545 CV 1 OR { 2550} (( segid " " and resid 74 and name HN )) (( segid " " and resid 77 and name HN )) ASSI { 2557} (( segid " " and resid 75 and name HN )) (( segid " " and resid 79 and name HD2 )) 5.600 4.000 0.400 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.20035E-03 ppm1 7.951 ppm2 7.003 CV 1 OR { 2557} (( segid " " and resid 13 and name HN )) ( segid " " and resid 32 and name HE% ) ASSI { 2560} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.600 0.800 0.800 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.42253E-02 ppm1 7.945 ppm2 3.944 CV 1 OR { 2560} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 2571} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HA )) 5.300 3.500 0.700 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.25746E-03 ppm1 8.504 ppm2 4.376 CV 1 OR { 2571} (( segid " " and resid 77 and name HN )) (( segid " " and resid 80 and name HA )) OR { 2571} (( segid " " and resid 76 and name HN )) (( segid " " and resid 80 and name HA )) ASSI { 2572} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.600 0.800 0.800 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.34530E-02 ppm1 8.504 ppm2 3.902 CV 1 OR { 2572} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HA )) OR { 2572} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) OR { 2572} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 2573} (( segid " " and resid 76 and name HN )) (( segid " " and resid 79 and name HB1 )) 6.000 5.100 0.000 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.10003E-03 ppm1 8.516 ppm2 3.608 CV 1 OR { 2573} (( segid " " and resid 77 and name HN )) (( segid " " and resid 79 and name HB1 )) ASSI { 2575} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD% ) 3.500 1.500 1.500 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 8.509 ppm2 6.818 CV 1 OR { 2575} (( segid " " and resid 77 and name HN )) ( segid " " and resid 75 and name HD% ) ASSI { 2579} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.24923E-02 ppm1 8.512 ppm2 7.943 CV 1 OR { 2579} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 2587} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.21048E-02 ppm1 8.503 ppm2 8.295 CV 1 OR { 2587} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HN )) ASSI { 2592} (( segid " " and resid 77 and name HN )) (( segid " " and resid 80 and name HG1 )) 6.000 5.500 0.000 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.13036E-03 ppm1 8.489 ppm2 2.732 CV 1 OR { 2592} (( segid " " and resid 76 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 2592} (( segid " " and resid 76 and name HN )) (( segid " " and resid 80 and name HG1 )) ASSI { 2595} (( segid " " and resid 77 and name HN )) (( segid " " and resid 7 and name HG12)) 6.000 4.500 0.000 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.12794E-03 ppm1 8.502 ppm2 0.263 CV 1 OR { 2595} (( segid " " and resid 76 and name HN )) (( segid " " and resid 7 and name HG12)) ASSI { 2623} (( segid " " and resid 35 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.900 1.000 1.000 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.23786E-02 ppm1 7.720 ppm2 3.865 CV 1 OR { 2623} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 2662} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HB1 )) 4.500 2.500 1.500 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.35095E-03 ppm1 7.728 ppm2 1.788 CV 1 OR { 2662} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HB )) OR { 2662} (( segid " " and resid 35 and name HN )) (( segid " " and resid 30 and name HG1 )) ASSI { 2688} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 23 and name HN )) 3.300 1.400 1.400 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.12911E-02 ppm1 8.068 ppm2 8.512 CV 1 OR { 2688} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 19 and name HN )) ASSI { 2690} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 14 and name HN )) 4.500 2.500 1.500 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.21613E-03 ppm1 8.063 ppm2 8.171 CV 1 OR { 2690} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 18 and name HN )) OR { 2690} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 69 and name HN )) ASSI { 2694} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 23 and name HN )) 3.800 1.800 1.800 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.92050E-03 ppm1 6.853 ppm2 8.510 CV 1 OR { 2694} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 19 and name HN )) ASSI { 2717} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 22 and name HA )) 3.000 3.000 3.000 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.26418E-02 ppm1 8.069 ppm2 4.304 CV 1 OR { 2717} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 21 and name HA )) ASSI { 2718} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 9 and name HA )) 4.700 2.800 1.300 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.45419E-04 ppm1 8.069 ppm2 4.207 CV 1 OR { 2718} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 11 and name HA )) OR { 2718} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 73 and name HB )) ASSI { 2721} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 6.854 ppm2 4.304 CV 1 OR { 2721} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 21 and name HA )) ASSI { 2723} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 12 and name HA )) 4.900 3.100 1.100 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.17042E-03 ppm1 6.861 ppm2 4.069 CV 1 OR { 2723} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 20 and name HA1 )) ASSI { 2727} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 13 and name HA )) 4.400 2.400 1.600 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.47752E-03 ppm1 6.855 ppm2 3.945 CV 1 OR { 2727} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 20 and name HA2 )) OR { 2727} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 17 and name HA )) OR { 2727} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 38 and name HA )) ASSI { 2728} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 23 and name HA )) 5.300 3.500 0.700 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.21949E-03 ppm1 6.853 ppm2 3.610 CV 1 OR { 2728} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 15 and name HA )) ASSI { 2731} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 23 and name HA )) 3.800 1.800 1.800 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.28715E-03 ppm1 8.067 ppm2 3.612 CV 1 OR { 2731} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 15 and name HA )) ASSI { 2732} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 12 and name HA )) 3.800 1.800 1.800 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.36494E-03 ppm1 8.069 ppm2 4.049 CV 1 OR { 2732} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 22 and name HD1 )) ASSI { 2733} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 13 and name HA )) 3.900 1.900 1.900 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.55334E-03 ppm1 8.066 ppm2 3.944 CV 1 OR { 2733} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 20 and name HA2 )) OR { 2733} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 17 and name HA )) ASSI { 2734} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 17 and name HG1 )) 6.000 6.000 0.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.53338E-04 ppm1 6.854 ppm2 2.431 CV 1 ASSI { 2735} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 26 and name HB )) 5.700 4.100 0.300 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.21855E-03 ppm1 6.854 ppm2 2.347 CV 1 OR { 2735} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 22 and name HB1 )) ASSI { 2736} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 15 and name HB )) 4.500 2.500 1.500 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.11146E-03 ppm1 6.852 ppm2 2.259 CV 1 OR { 2736} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 17 and name HG2 )) ASSI { 2737} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 23 and name HB )) 6.000 5.000 0.000 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.11136E-03 ppm1 6.856 ppm2 2.034 CV 1 OR { 2737} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 24 and name HB1 )) OR { 2737} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 24 and name HB2 )) ASSI { 2739} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 26 and name HB )) 5.000 3.200 1.000 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.27332E-03 ppm1 8.068 ppm2 2.346 CV 1 OR { 2739} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 22 and name HB1 )) ASSI { 2741} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 22 and name HG1 )) 5.800 4.200 0.200 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.97641E-04 ppm1 8.067 ppm2 2.139 CV 1 OR { 2741} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 11 and name HB1 )) ASSI { 2742} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 23 and name HB )) 5.700 4.100 0.300 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.10547E-03 ppm1 8.060 ppm2 2.043 CV 1 OR { 2742} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 24 and name HB2 )) ASSI { 2745} (( segid " " and resid 16 and name HD21)) ( segid " " and resid 15 and name HG1%) 3.700 1.700 1.700 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.10959E-02 ppm1 6.852 ppm2 0.994 CV 1 OR { 2745} (( segid " " and resid 16 and name HD21)) ( segid " " and resid 21 and name HG2%) OR { 2745} (( segid " " and resid 16 and name HD21)) ( segid " " and resid 23 and name HG2%) OR { 2745} (( segid " " and resid 16 and name HD21)) ( segid " " and resid 23 and name HG1%) ASSI { 2746} (( segid " " and resid 16 and name HD22)) ( segid " " and resid 23 and name HG2%) 3.400 1.400 1.400 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.13950E-02 ppm1 8.069 ppm2 0.995 CV 1 OR { 2746} (( segid " " and resid 16 and name HD22)) ( segid " " and resid 21 and name HG2%) OR { 2746} (( segid " " and resid 16 and name HD22)) ( segid " " and resid 15 and name HG1%) OR { 2746} (( segid " " and resid 16 and name HD22)) ( segid " " and resid 23 and name HG1%) ASSI { 2748} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 21 and name HB )) 4.900 3.100 1.100 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.15800E-03 ppm1 8.067 ppm2 1.622 CV 1 OR { 2748} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 36 and name HB2 )) ASSI { 2750} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 77 and name HN )) 3.700 1.700 1.700 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.16954E-03 ppm1 7.733 ppm2 8.490 CV 1 OR { 2750} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 76 and name HN )) ASSI { 2799} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 2 and name HB% ) 3.000 1.100 1.100 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.10360E-02 ppm1 7.734 ppm2 1.529 CV 1 OR { 2799} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 7 and name HG11)) ASSI { 2800} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 2 and name HB% ) 3.100 1.200 1.200 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 7.654 ppm2 1.525 CV 1 OR { 2800} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 7 and name HG11)) ASSI { 2818} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 76 and name HG2%) 3.200 1.300 1.300 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.12878E-02 ppm1 7.737 ppm2 0.529 CV 1 OR { 2818} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 7 and name HD1%) ASSI { 2819} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 76 and name HG2%) 2.500 0.800 0.800 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.17526E-02 ppm1 7.653 ppm2 0.528 CV 1 OR { 2819} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 7 and name HD1%) ASSI { 2877} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 8 and name HG2%) 4.000 2.000 2.000 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.43013E-03 ppm1 7.509 ppm2 1.069 CV 1 OR { 2877} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 73 and name HG2%) ASSI { 2879} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 28 and name HD1%) 4.500 2.600 1.500 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.73258E-03 ppm1 7.511 ppm2 0.811 CV 1 OR { 2879} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 77 and name HD1%) ASSI { 2886} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 28 and name HB1 )) 5.400 3.600 0.600 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.12079E-03 ppm1 6.832 ppm2 1.765 CV 1 OR { 2886} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 7 and name HB )) OR { 2886} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 28 and name HG )) OR { 2886} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 76 and name HB )) ASSI { 2888} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 8 and name HG2%) 3.500 3.500 2.500 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.28533E-03 ppm1 6.832 ppm2 1.067 CV 1 OR { 2888} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 73 and name HG2%) ASSI { 2894} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 28 and name HB1 )) 5.500 3.700 0.500 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.10879E-03 ppm1 7.510 ppm2 1.761 CV 1 OR { 2894} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 28 and name HG )) OR { 2894} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 7 and name HB )) OR { 2894} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 27 and name HD1 )) ASSI { 2945} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HB )) 4.400 2.400 1.600 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.89515E-03 ppm1 7.828 ppm2 1.629 CV 1 OR { 2945} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HB )) OR { 2945} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 2950} (( segid " " and resid 20 and name HN )) ( segid " " and resid 15 and name HG1%) 4.000 2.000 2.000 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.68215E-03 ppm1 7.828 ppm2 0.989 CV 1 OR { 2950} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG2%) OR { 2950} (( segid " " and resid 20 and name HN )) ( segid " " and resid 21 and name HG2%) OR { 2950} (( segid " " and resid 20 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 2952} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HD1%) 6.000 5.300 0.000 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.12815E-03 ppm1 7.822 ppm2 0.764 CV 1 OR { 2952} (( segid " " and resid 20 and name HN )) ( segid " " and resid 36 and name HD2%) OR { 2952} (( segid " " and resid 20 and name HN )) ( segid " " and resid 26 and name HG1%) ASSI { 2956} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA2 )) 2.300 0.700 0.700 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.65621E-02 ppm1 7.828 ppm2 3.945 CV 1 OR { 2956} (( segid " " and resid 20 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 2956} (( segid " " and resid 20 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 2961} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HB1 )) 5.900 4.300 0.100 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.14723E-03 ppm1 7.828 ppm2 3.108 CV 1 OR { 2961} (( segid " " and resid 20 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 2962} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HB2 )) 6.000 4.400 0.000 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.14737E-03 ppm1 7.821 ppm2 2.746 CV 1 OR { 2962} (( segid " " and resid 20 and name HN )) (( segid " " and resid 39 and name HB2 )) ASSI { 2963} (( segid " " and resid 20 and name HN )) (( segid " " and resid 15 and name HB )) 5.500 3.800 0.500 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.16098E-03 ppm1 7.827 ppm2 2.261 CV 1 OR { 2963} (( segid " " and resid 20 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 42} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H42A)) 4.200 2.200 1.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.40427E-03 ppm1 4.146 ppm2 3.182 CV 1 OR { 42} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H42B)) OR { 42} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H42B)) OR { 42} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H42A)) OR { 42} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H42B)) OR { 42} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H42A)) OR { 42} (( segid " " and resid 33 and name HB )) (( segid " " and resid 40 and name H42B)) ASSI { 43} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H43A)) 4.300 2.300 1.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.40033E-03 ppm1 4.160 ppm2 2.809 CV 1 OR { 43} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H43B)) OR { 43} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H43A)) OR { 43} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H43A)) OR { 43} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H43B)) OR { 43} (( segid " " and resid 33 and name HB )) (( segid " " and resid 40 and name H43A)) OR { 43} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H43B)) ASSI { 61} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H43B)) 4.700 2.800 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.56673E-03 ppm1 3.968 ppm2 2.805 CV 1 OR { 61} (( segid " " and resid 43 and name HA )) (( segid " " and resid 40 and name H43B)) OR { 61} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H43A)) OR { 61} (( segid " " and resid 43 and name HA )) (( segid " " and resid 40 and name H43A)) ASSI { 62} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H42B)) 4.500 2.600 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.79470E-03 ppm1 3.971 ppm2 3.180 CV 1 OR { 62} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H42A)) OR { 62} (( segid " " and resid 43 and name HA )) (( segid " " and resid 40 and name H42A)) OR { 62} (( segid " " and resid 43 and name HA )) (( segid " " and resid 40 and name H42B)) ASSI { 69} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 40 and name H3A )) 3.700 1.700 1.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.68293E-03 ppm1 0.944 ppm2 1.190 CV 1 OR { 69} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H3A )) ASSI { 70} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H3B )) 4.400 2.400 1.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.63186E-03 ppm1 0.942 ppm2 1.114 CV 1 OR { 70} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 40 and name H3B )) ASSI { 4} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB )) 2.400 0.700 0.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.74935E-02 ppm1 3.936 ppm2 1.636 CV 1 OR { 4} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HG11)) ASSI { 5} (( segid " " and resid 18 and name HA )) ( segid " " and resid 19 and name HB% ) 4.600 2.600 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.69608E-03 ppm1 3.939 ppm2 1.542 CV 1 ASSI { 6} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HG12)) 2.400 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.56979E-02 ppm1 3.937 ppm2 1.320 CV 1 ASSI { 7} (( segid " " and resid 18 and name HA )) ( segid " " and resid 14 and name HG2%) 6.000 5.400 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.96992E-04 ppm1 3.931 ppm2 1.068 CV 1 ASSI { 9} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HA )) 4.600 2.600 1.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.29525E-03 ppm1 3.932 ppm2 4.818 CV 1 ASSI { 10} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 3.500 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11426E-02 ppm1 3.936 ppm2 8.510 CV 1 ASSI { 11} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HN )) 5.200 3.400 0.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.36421E-03 ppm1 3.936 ppm2 8.322 CV 1 ASSI { 12} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.500 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.56768E-02 ppm1 3.937 ppm2 8.202 CV 1 ASSI { 15} (( segid " " and resid 18 and name HB )) (( segid " " and resid 19 and name HN )) 2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.28788E-02 ppm1 1.633 ppm2 8.513 CV 1 ASSI { 17} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HN )) 2.400 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.46139E-02 ppm1 1.618 ppm2 6.456 CV 1 ASSI { 19} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HA )) 2.800 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.24256E-02 ppm1 1.634 ppm2 3.939 CV 1 ASSI { 27} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.36811E-02 ppm1 3.257 ppm2 4.490 CV 1 ASSI { 28} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HA )) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.48674E-02 ppm1 2.555 ppm2 4.487 CV 1 ASSI { 31} (( segid " " and resid 55 and name HA )) ( segid " " and resid 56 and name HG1%) 5.100 3.200 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.33476E-03 ppm1 4.488 ppm2 0.937 CV 1 OR { 31} (( segid " " and resid 55 and name HA )) ( segid " " and resid 56 and name HG2%) ASSI { 34} (( segid " " and resid 55 and name HA )) (( segid " " and resid 52 and name HA )) 3.500 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.88939E-03 ppm1 4.486 ppm2 4.129 CV 1 ASSI { 40} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.700 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.33946E-02 ppm1 4.486 ppm2 8.386 CV 1 ASSI { 42} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HN )) 3.000 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.18693E-02 ppm1 4.487 ppm2 7.502 CV 1 ASSI { 44} (( segid " " and resid 66 and name HA )) (( segid " " and resid 68 and name HN )) 3.300 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 4.486 ppm2 8.596 CV 1 ASSI { 46} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 2.200 0.600 0.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.62382E-02 ppm1 4.485 ppm2 8.206 CV 1 ASSI { 51} (( segid " " and resid 66 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.25824E-02 ppm1 4.487 ppm2 3.118 CV 1 ASSI { 52} (( segid " " and resid 66 and name HA )) (( segid " " and resid 71 and name HB2 )) 3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.43100E-02 ppm1 4.485 ppm2 2.923 CV 1 ASSI { 54} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB1 )) 2.400 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.24563E-02 ppm1 4.485 ppm2 2.159 CV 1 ASSI { 56} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB2 )) 2.300 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.92612E-02 ppm1 4.487 ppm2 2.592 CV 1 ASSI { 57} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HD2 )) 4.400 2.400 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.64634E-03 ppm1 4.485 ppm2 1.472 CV 1 ASSI { 58} (( segid " " and resid 66 and name HA )) ( segid " " and resid 66 and name HD2%) 2.100 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.75839E-02 ppm1 4.485 ppm2 0.601 CV 1 ASSI { 59} (( segid " " and resid 66 and name HA )) ( segid " " and resid 66 and name HD1%) 4.400 2.400 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.91168E-03 ppm1 4.484 ppm2 0.406 CV 1 ASSI { 60} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) 2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.38321E-02 ppm1 4.486 ppm2 0.967 CV 1 ASSI { 61} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HG1 )) 4.400 2.400 1.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.40287E-03 ppm1 4.489 ppm2 1.579 CV 1 ASSI { 63} (( segid " " and resid 2 and name HA )) ( segid " " and resid 3 and name HG2%) 3.000 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.22703E-02 ppm1 4.846 ppm2 1.363 CV 1 ASSI { 66} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HN )) 2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.19907E-02 ppm1 1.568 ppm2 8.840 CV 1 ASSI { 67} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 3 and name HN )) 2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.40553E-02 ppm1 1.569 ppm2 8.552 CV 1 ASSI { 68} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 7 and name HN )) 3.400 1.500 1.500 peak 68 spectrum 1 weight 0.10000E+01 volume 0.16328E-02 ppm1 1.569 ppm2 8.397 CV 1 ASSI { 70} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 54 and name HD% ) 2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.26363E-02 ppm1 1.569 ppm2 7.471 CV 1 ASSI { 71} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 54 and name HE% ) 3.000 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 1.568 ppm2 7.127 CV 1 ASSI { 72} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HA )) 2.100 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.10267E-01 ppm1 1.569 ppm2 4.829 CV 1 ASSI { 73} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 3 and name HA )) 4.200 2.200 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.52612E-03 ppm1 1.571 ppm2 4.429 CV 1 ASSI { 74} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HA )) 5.900 4.400 0.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.28400E-03 ppm1 1.565 ppm2 4.141 CV 1 ASSI { 75} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 1 and name HA )) 4.200 2.200 1.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.68133E-03 ppm1 1.571 ppm2 4.030 CV 1 ASSI { 76} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 7 and name HA )) 3.600 1.700 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.12325E-02 ppm1 1.571 ppm2 3.886 CV 1 ASSI { 77} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HB2 )) 3.700 1.700 1.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.27653E-02 ppm1 1.569 ppm2 2.107 CV 1 ASSI { 79} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HG2 )) 4.100 2.100 1.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.49008E-03 ppm1 1.570 ppm2 2.615 CV 1 ASSI { 80} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HB1 )) 2.400 2.400 3.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.37855E-02 ppm1 1.568 ppm2 2.492 CV 1 ASSI { 81} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HG2 )) 3.600 1.600 1.600 peak 81 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 1.567 ppm2 2.388 CV 1 OR { 81} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HG1 )) ASSI { 82} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HB1 )) 5.000 3.100 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.31459E-03 ppm1 1.570 ppm2 2.323 CV 1 ASSI { 84} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 7 and name HG12)) 2.600 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.30552E-02 ppm1 1.569 ppm2 0.232 CV 1 ASSI { 88} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.600 0.900 0.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.24524E-02 ppm1 3.704 ppm2 9.233 CV 1 ASSI { 89} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 3.500 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.96024E-03 ppm1 3.704 ppm2 8.862 CV 1 ASSI { 90} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HN )) 3.000 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19905E-02 ppm1 3.705 ppm2 8.396 CV 1 ASSI { 91} (( segid " " and resid 4 and name HA )) (( segid " " and resid 6 and name HN )) 3.800 1.800 1.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.43328E-03 ppm1 3.706 ppm2 7.694 CV 1 ASSI { 92} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.19403E-02 ppm1 2.180 ppm2 9.235 CV 1 ASSI { 93} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 3.000 1.100 1.100 peak 93 spectrum 1 weight 0.10000E+01 volume 0.29000E-02 ppm1 2.182 ppm2 3.703 CV 1 ASSI { 95} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HG2 )) 2.200 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.88670E-02 ppm1 3.706 ppm2 2.176 CV 1 OR { 95} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) ASSI { 96} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.400 0.700 0.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.35938E-02 ppm1 3.705 ppm2 2.040 CV 1 ASSI { 99} (( segid " " and resid 4 and name HA )) ( segid " " and resid 73 and name HG2%) 2.300 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.34173E-02 ppm1 3.705 ppm2 1.104 CV 1 ASSI { 100} (( segid " " and resid 4 and name HA )) ( segid " " and resid 77 and name HD2%) 2.600 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.45517E-02 ppm1 3.705 ppm2 0.820 CV 1 OR { 100} (( segid " " and resid 4 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 101} (( segid " " and resid 4 and name HA )) ( segid " " and resid 7 and name HD1%) 3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.49268E-02 ppm1 3.705 ppm2 0.532 CV 1 OR { 101} (( segid " " and resid 4 and name HA )) ( segid " " and resid 7 and name HG2%) ASSI { 102} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HG12)) 5.100 3.300 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.53603E-03 ppm1 3.703 ppm2 0.232 CV 1 ASSI { 103} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HA )) 4.200 2.200 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.46495E-03 ppm1 3.708 ppm2 4.444 CV 1 ASSI { 104} (( segid " " and resid 4 and name HA )) (( segid " " and resid 73 and name HB )) 5.200 3.400 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.27348E-03 ppm1 3.703 ppm2 4.209 CV 1 ASSI { 108} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 73 and name HG2%) 4.800 2.800 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.73920E-03 ppm1 2.183 ppm2 1.102 CV 1 ASSI { 109} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.900 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.10804E-02 ppm1 2.179 ppm2 8.862 CV 1 ASSI { 110} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HN )) 4.700 2.700 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.86404E-03 ppm1 2.232 ppm2 9.232 CV 1 ASSI { 111} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HN )) 4.400 2.400 1.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.79393E-03 ppm1 2.162 ppm2 9.233 CV 1 ASSI { 112} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HE22)) 5.000 3.100 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.42063E-03 ppm1 2.242 ppm2 7.512 CV 1 ASSI { 113} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HE22)) 4.300 2.400 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.57275E-03 ppm1 2.161 ppm2 7.507 CV 1 ASSI { 114} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HA )) 3.700 1.700 1.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25110E-02 ppm1 2.234 ppm2 3.702 CV 1 ASSI { 115} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HA )) 2.600 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.22923E-02 ppm1 2.158 ppm2 3.702 CV 1 ASSI { 116} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HB2 )) 2.100 0.600 0.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.75209E-02 ppm1 2.228 ppm2 2.043 CV 1 ASSI { 117} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HB2 )) 2.300 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.79895E-02 ppm1 2.156 ppm2 2.044 CV 1 ASSI { 120} (( segid " " and resid 4 and name HG1 )) ( segid " " and resid 73 and name HG2%) 3.900 1.900 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.24152E-02 ppm1 2.235 ppm2 1.102 CV 1 ASSI { 122} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 5 and name HN )) 5.100 3.200 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.54393E-03 ppm1 2.230 ppm2 8.867 CV 1 ASSI { 123} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 5 and name HN )) 4.600 2.600 1.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.56586E-03 ppm1 2.167 ppm2 8.860 CV 1 ASSI { 124} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.37915E-02 ppm1 3.936 ppm2 8.863 CV 1 ASSI { 126} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 3.100 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16345E-02 ppm1 3.936 ppm2 7.707 CV 1 ASSI { 127} (( segid " " and resid 5 and name HA )) ( segid " " and resid 8 and name HG2%) 3.500 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.21316E-02 ppm1 3.937 ppm2 1.045 CV 1 ASSI { 128} (( segid " " and resid 5 and name HA )) ( segid " " and resid 8 and name HG1%) 3.600 1.600 1.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.19518E-02 ppm1 3.937 ppm2 0.905 CV 1 ASSI { 129} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG1 )) 3.300 1.400 1.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 3.937 ppm2 2.490 CV 1 ASSI { 130} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG2 )) 2.500 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.51790E-02 ppm1 3.934 ppm2 2.320 CV 1 ASSI { 134} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 2.600 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.34208E-02 ppm1 2.092 ppm2 3.935 CV 1 ASSI { 137} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 6 and name HN )) 3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.13225E-02 ppm1 1.981 ppm2 7.697 CV 1 ASSI { 140} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 2.491 ppm2 8.862 CV 1 ASSI { 142} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HB1 )) 2.800 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.54000E-02 ppm1 2.491 ppm2 2.090 CV 1 ASSI { 143} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HB2 )) 2.500 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.44278E-02 ppm1 2.492 ppm2 1.981 CV 1 ASSI { 144} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HB2 )) 2.900 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.43921E-02 ppm1 2.323 ppm2 1.983 CV 1 ASSI { 150} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HG1 )) 2.400 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.31578E-02 ppm1 2.113 ppm2 2.824 CV 1 ASSI { 154} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 3 and name HN )) 2.600 2.600 3.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.14212E-02 ppm1 2.117 ppm2 8.549 CV 1 ASSI { 165} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HN )) 3.900 1.900 1.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.19796E-02 ppm1 2.378 ppm2 7.694 CV 1 ASSI { 166} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HA )) 2.900 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.28655E-02 ppm1 2.427 ppm2 4.137 CV 1 OR { 166} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HA )) ASSI { 173} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HN )) 2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.73436E-02 ppm1 4.129 ppm2 7.713 CV 1 ASSI { 174} (( segid " " and resid 6 and name HA )) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 174 spectrum 1 weight 0.10000E+01 volume 0.52648E-03 ppm1 4.128 ppm2 8.870 CV 1 ASSI { 175} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 3.200 1.200 1.200 peak 175 spectrum 1 weight 0.10000E+01 volume 0.18192E-02 ppm1 4.137 ppm2 8.395 CV 1 ASSI { 179} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.62821E-03 ppm1 3.891 ppm2 9.235 CV 1 ASSI { 180} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.200 0.600 0.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.49487E-02 ppm1 3.887 ppm2 8.396 CV 1 ASSI { 182} (( segid " " and resid 7 and name HA )) (( segid " " and resid 54 and name HZ )) 2.300 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.35945E-02 ppm1 3.887 ppm2 7.471 CV 1 OR { 182} (( segid " " and resid 7 and name HA )) ( segid " " and resid 54 and name HD% ) ASSI { 183} (( segid " " and resid 7 and name HA )) ( segid " " and resid 54 and name HE% ) 2.500 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.34292E-02 ppm1 3.890 ppm2 7.128 CV 1 ASSI { 185} (( segid " " and resid 76 and name HB )) (( segid " " and resid 78 and name HN )) 5.100 3.200 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.43698E-03 ppm1 1.790 ppm2 8.282 CV 1 ASSI { 188} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HN )) 3.400 1.500 1.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.24716E-02 ppm1 0.529 ppm2 8.395 CV 1 ASSI { 191} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 54 and name HD% ) 4.600 2.600 1.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.70504E-03 ppm1 0.529 ppm2 7.468 CV 1 OR { 191} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 54 and name HZ )) ASSI { 192} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 54 and name HE% ) 4.900 3.000 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43061E-03 ppm1 0.530 ppm2 7.132 CV 1 ASSI { 194} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.29113E-02 ppm1 0.565 ppm2 8.393 CV 1 ASSI { 195} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 54 and name HZ )) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.12143E-02 ppm1 0.565 ppm2 7.473 CV 1 OR { 195} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 54 and name HD% ) ASSI { 196} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 54 and name HE% ) 3.300 1.400 1.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 0.567 ppm2 7.126 CV 1 ASSI { 198} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 7 and name HN )) 1.900 0.500 0.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.34371E-02 ppm1 1.544 ppm2 8.396 CV 1 ASSI { 199} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 7 and name HN )) 3.400 1.500 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.20025E-02 ppm1 0.235 ppm2 8.395 CV 1 ASSI { 200} (( segid " " and resid 7 and name HG12)) ( segid " " and resid 54 and name HD% ) 3.700 1.800 1.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.59048E-03 ppm1 0.242 ppm2 7.468 CV 1 OR { 200} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 54 and name HZ )) ASSI { 206} (( segid " " and resid 7 and name HA )) ( segid " " and resid 73 and name HG2%) 5.000 3.200 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.48757E-03 ppm1 3.888 ppm2 1.093 CV 1 ASSI { 207} (( segid " " and resid 7 and name HA )) (( segid " " and resid 53 and name HG1 )) 4.100 2.100 1.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.78831E-03 ppm1 3.888 ppm2 0.855 CV 1 ASSI { 209} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG12)) 2.300 0.600 0.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.38004E-02 ppm1 3.888 ppm2 0.229 CV 1 ASSI { 210} (( segid " " and resid 76 and name HB )) ( segid " " and resid 77 and name HD2%) 5.100 3.200 0.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.97847E-03 ppm1 1.783 ppm2 0.817 CV 1 OR { 210} (( segid " " and resid 76 and name HB )) ( segid " " and resid 77 and name HD1%) ASSI { 213} (( segid " " and resid 7 and name HB )) ( segid " " and resid 73 and name HG2%) 2.100 0.500 0.500 peak 213 spectrum 1 weight 0.10000E+01 volume 0.38257E-02 ppm1 1.787 ppm2 1.106 CV 1 ASSI { 214} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HA )) 2.600 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.20224E-02 ppm1 1.786 ppm2 3.888 CV 1 ASSI { 217} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.19300E-02 ppm1 1.783 ppm2 3.500 CV 1 ASSI { 218} (( segid " " and resid 76 and name HB )) (( segid " " and resid 75 and name HB1 )) 4.300 2.400 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.69366E-03 ppm1 1.770 ppm2 3.110 CV 1 OR { 218} (( segid " " and resid 76 and name HB )) (( segid " " and resid 75 and name HB2 )) ASSI { 226} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 73 and name HB )) 4.600 2.700 1.400 peak 226 spectrum 1 weight 0.10000E+01 volume 0.71454E-03 ppm1 0.564 ppm2 4.186 CV 1 ASSI { 227} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.300 0.600 0.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.49140E-02 ppm1 0.565 ppm2 3.886 CV 1 ASSI { 229} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 73 and name HA )) 2.100 0.500 0.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.79863E-02 ppm1 0.565 ppm2 3.678 CV 1 ASSI { 230} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HA )) 3.300 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.10218E-02 ppm1 0.565 ppm2 3.387 CV 1 ASSI { 234} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.48789E-02 ppm1 0.529 ppm2 3.894 CV 1 ASSI { 235} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HA )) 2.900 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.43756E-02 ppm1 0.529 ppm2 3.699 CV 1 ASSI { 237} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 8 and name HA )) 6.000 4.900 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.91223E-04 ppm1 0.519 ppm2 3.402 CV 1 ASSI { 238} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HG1 )) 5.100 3.200 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.39552E-03 ppm1 0.528 ppm2 2.711 CV 1 ASSI { 241} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HB1 )) 6.000 4.900 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.23388E-03 ppm1 0.530 ppm2 2.347 CV 1 ASSI { 246} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HB )) 2.000 0.500 0.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.90269E-02 ppm1 0.529 ppm2 1.779 CV 1 ASSI { 247} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HG11)) 1.800 0.400 0.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.11072E-01 ppm1 0.529 ppm2 1.554 CV 1 ASSI { 248} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HB2 )) 4.300 2.300 1.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.41558E-03 ppm1 0.562 ppm2 1.293 CV 1 ASSI { 250} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 73 and name HG2%) 3.000 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.57641E-02 ppm1 0.564 ppm2 1.096 CV 1 ASSI { 251} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HB2 )) 2.800 2.800 3.200 peak 251 spectrum 1 weight 0.10000E+01 volume 0.84696E-03 ppm1 0.565 ppm2 2.128 CV 1 ASSI { 252} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HG )) 2.400 0.700 0.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.29304E-02 ppm1 0.566 ppm2 1.988 CV 1 ASSI { 254} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HG11)) 3.200 1.300 1.300 peak 254 spectrum 1 weight 0.10000E+01 volume 0.25992E-02 ppm1 0.563 ppm2 1.563 CV 1 ASSI { 255} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HG12)) 1.900 0.500 0.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.82787E-02 ppm1 0.529 ppm2 0.243 CV 1 ASSI { 257} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 77 and name HD2%) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.72454E-02 ppm1 0.530 ppm2 0.819 CV 1 OR { 257} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 77 and name HD1%) ASSI { 258} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 73 and name HG2%) 2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.27444E-02 ppm1 0.531 ppm2 1.106 CV 1 ASSI { 260} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HG12)) 2.300 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.35373E-02 ppm1 0.565 ppm2 0.230 CV 1 ASSI { 261} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HN )) 3.100 1.200 1.200 peak 261 spectrum 1 weight 0.10000E+01 volume 0.15234E-02 ppm1 3.384 ppm2 9.236 CV 1 ASSI { 262} (( segid " " and resid 8 and name HA )) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.70513E-03 ppm1 3.386 ppm2 8.921 CV 1 ASSI { 265} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HN )) 3.300 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.12569E-02 ppm1 3.385 ppm2 7.727 CV 1 ASSI { 266} (( segid " " and resid 8 and name HB )) (( segid " " and resid 8 and name HN )) 2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.61533E-02 ppm1 2.020 ppm2 8.393 CV 1 ASSI { 267} (( segid " " and resid 8 and name HB )) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.40596E-02 ppm1 2.021 ppm2 7.727 CV 1 ASSI { 270} (( segid " " and resid 63 and name HB )) (( segid " " and resid 63 and name HA )) 2.500 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.29371E-02 ppm1 2.023 ppm2 3.205 CV 1 ASSI { 271} (( segid " " and resid 8 and name HB )) (( segid " " and resid 8 and name HA )) 2.900 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.26246E-02 ppm1 2.020 ppm2 3.386 CV 1 ASSI { 272} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HA )) 4.000 2.000 2.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.60368E-03 ppm1 3.385 ppm2 4.229 CV 1 ASSI { 283} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.800 1.000 1.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.14873E-02 ppm1 3.385 ppm2 1.270 CV 1 ASSI { 285} (( segid " " and resid 8 and name HA )) ( segid " " and resid 8 and name HG2%) 2.300 0.600 0.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.69910E-02 ppm1 3.386 ppm2 1.044 CV 1 ASSI { 288} (( segid " " and resid 8 and name HA )) ( segid " " and resid 69 and name HG2%) 3.900 1.900 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 3.386 ppm2 0.644 CV 1 ASSI { 291} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HA )) 2.400 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.63903E-02 ppm1 0.901 ppm2 3.389 CV 1 ASSI { 292} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 27 and name HA )) 4.200 2.200 1.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.27893E-03 ppm1 1.050 ppm2 4.644 CV 1 ASSI { 293} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 73 and name HB )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10492E-02 ppm1 1.045 ppm2 4.193 CV 1 ASSI { 296} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 70 and name HA2 )) 4.100 2.100 1.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.41211E-03 ppm1 1.042 ppm2 3.790 CV 1 ASSI { 301} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HA )) 3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.15452E-02 ppm1 0.898 ppm2 4.216 CV 1 ASSI { 303} (( segid " " and resid 8 and name HB )) (( segid " " and resid 5 and name HA )) 2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.32554E-02 ppm1 2.021 ppm2 3.935 CV 1 ASSI { 311} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HG1 )) 3.900 1.900 1.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.25179E-02 ppm1 1.044 ppm2 2.219 CV 1 ASSI { 312} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HG2 )) 3.300 1.400 1.400 peak 312 spectrum 1 weight 0.10000E+01 volume 0.23811E-02 ppm1 1.044 ppm2 2.166 CV 1 ASSI { 315} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 7 and name HG2%) 3.800 1.800 1.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 1.045 ppm2 0.548 CV 1 OR { 315} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 7 and name HD1%) ASSI { 316} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 69 and name HG1%) 3.900 1.900 1.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.22498E-03 ppm1 1.041 ppm2 0.464 CV 1 ASSI { 318} (( segid " " and resid 63 and name HB )) ( segid " " and resid 58 and name HG2%) 3.000 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.13980E-02 ppm1 2.023 ppm2 0.341 CV 1 ASSI { 322} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HN )) 3.200 1.300 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.19335E-02 ppm1 0.898 ppm2 7.726 CV 1 ASSI { 323} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HE22)) 4.100 2.100 1.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.33813E-03 ppm1 1.046 ppm2 7.496 CV 1 ASSI { 332} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HN )) 3.800 1.800 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.22035E-02 ppm1 0.900 ppm2 8.389 CV 1 ASSI { 335} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 70 and name HN )) 5.800 4.200 0.200 peak 335 spectrum 1 weight 0.10000E+01 volume 0.13992E-03 ppm1 1.042 ppm2 9.400 CV 1 ASSI { 336} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 11 and name HN )) 5.200 3.400 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.24646E-03 ppm1 1.042 ppm2 9.236 CV 1 ASSI { 337} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HN )) 4.200 2.200 1.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.50342E-03 ppm1 4.231 ppm2 9.241 CV 1 ASSI { 340} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HN )) 3.200 1.300 1.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.15535E-02 ppm1 4.227 ppm2 8.919 CV 1 ASSI { 341} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.400 1.400 1.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.13612E-02 ppm1 4.244 ppm2 8.810 CV 1 ASSI { 344} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.600 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.45783E-02 ppm1 4.242 ppm2 7.904 CV 1 ASSI { 345} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.600 0.800 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.49647E-02 ppm1 4.230 ppm2 7.729 CV 1 ASSI { 346} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 9 and name HN )) 2.200 0.600 0.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.11552E-01 ppm1 1.521 ppm2 7.728 CV 1 ASSI { 349} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.55110E-02 ppm1 1.521 ppm2 8.391 CV 1 ASSI { 350} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 12 and name HN )) 4.800 2.900 1.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.43616E-03 ppm1 1.527 ppm2 8.920 CV 1 ASSI { 351} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 11 and name HN )) 5.100 3.200 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.45107E-03 ppm1 1.520 ppm2 9.232 CV 1 ASSI { 354} (( segid " " and resid 9 and name HA )) ( segid " " and resid 12 and name HB% ) 2.400 0.700 0.700 peak 354 spectrum 1 weight 0.10000E+01 volume 0.55946E-02 ppm1 4.225 ppm2 1.686 CV 1 ASSI { 362} (( segid " " and resid 7 and name HB )) ( segid " " and resid 8 and name HG1%) 3.600 3.600 2.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.31076E-02 ppm1 1.785 ppm2 0.903 CV 1 ASSI { 363} (( segid " " and resid 7 and name HB )) (( segid " " and resid 6 and name HN )) 4.100 2.100 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.52936E-03 ppm1 1.786 ppm2 7.705 CV 1 ASSI { 364} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 11 and name HN )) 3.000 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.12862E-02 ppm1 4.067 ppm2 9.237 CV 1 ASSI { 365} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 11 and name HN )) 3.400 1.500 1.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.16566E-02 ppm1 3.872 ppm2 9.234 CV 1 ASSI { 366} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 12 and name HN )) 5.100 3.300 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.27472E-03 ppm1 4.071 ppm2 8.924 CV 1 ASSI { 367} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 12 and name HN )) 4.800 2.900 1.200 peak 367 spectrum 1 weight 0.10000E+01 volume 0.28123E-03 ppm1 3.871 ppm2 8.922 CV 1 ASSI { 369} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 10 and name HN )) 2.300 0.700 0.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.42955E-02 ppm1 4.067 ppm2 8.391 CV 1 ASSI { 370} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.49245E-02 ppm1 3.874 ppm2 8.390 CV 1 ASSI { 373} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HN )) 4.300 2.300 1.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.82686E-03 ppm1 4.066 ppm2 7.923 CV 1 ASSI { 374} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HN )) 3.900 1.900 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.60363E-03 ppm1 3.875 ppm2 7.926 CV 1 ASSI { 377} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 9 and name HN )) 5.800 4.100 0.200 peak 377 spectrum 1 weight 0.10000E+01 volume 0.21467E-03 ppm1 3.871 ppm2 7.732 CV 1 ASSI { 378} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 54 and name HZ )) 4.200 2.200 1.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 3.874 ppm2 7.471 CV 1 ASSI { 379} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 54 and name HZ )) 2.500 0.800 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.15164E-02 ppm1 4.066 ppm2 7.467 CV 1 ASSI { 380} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 54 and name HE% ) 3.800 1.800 1.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.73692E-03 ppm1 4.065 ppm2 7.130 CV 1 ASSI { 381} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 54 and name HE% ) 4.700 2.700 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.10086E-02 ppm1 3.873 ppm2 7.130 CV 1 ASSI { 387} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 53 and name HD1 )) 3.400 1.400 1.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.36977E-03 ppm1 4.071 ppm2 2.888 CV 1 ASSI { 388} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HD1 )) 4.500 2.600 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.23997E-03 ppm1 3.871 ppm2 2.877 CV 1 ASSI { 389} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HD2 )) 4.400 2.400 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.44038E-03 ppm1 3.870 ppm2 2.716 CV 1 ASSI { 391} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HG1 )) 5.800 4.200 0.200 peak 391 spectrum 1 weight 0.10000E+01 volume 0.26127E-03 ppm1 4.071 ppm2 2.609 CV 1 ASSI { 392} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HG1 )) 4.500 2.500 1.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.27516E-03 ppm1 3.874 ppm2 2.611 CV 1 ASSI { 393} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HG2 )) 4.100 2.100 1.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.12874E-02 ppm1 4.069 ppm2 2.296 CV 1 OR { 393} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HB1 )) ASSI { 394} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HG2 )) 2.900 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.99619E-03 ppm1 3.871 ppm2 2.299 CV 1 OR { 394} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HB1 )) ASSI { 395} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HB2 )) 5.000 3.200 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.84399E-03 ppm1 4.067 ppm2 2.230 CV 1 ASSI { 396} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HB2 )) 4.500 2.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.62446E-03 ppm1 3.869 ppm2 2.229 CV 1 ASSI { 410} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.600 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.26023E-02 ppm1 4.253 ppm2 9.236 CV 1 ASSI { 411} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) 3.400 1.400 1.400 peak 411 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 4.253 ppm2 8.921 CV 1 ASSI { 412} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HN )) 3.600 1.700 1.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.74514E-03 ppm1 4.252 ppm2 8.809 CV 1 ASSI { 413} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HN )) 2.900 1.100 1.100 peak 413 spectrum 1 weight 0.10000E+01 volume 0.17520E-02 ppm1 4.255 ppm2 8.177 CV 1 ASSI { 417} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.12838E-02 ppm1 1.273 ppm2 8.921 CV 1 ASSI { 419} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HN )) 3.700 1.700 1.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.19625E-02 ppm1 0.853 ppm2 9.236 CV 1 ASSI { 424} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 12 and name HN )) 5.100 3.200 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.46459E-03 ppm1 0.849 ppm2 8.922 CV 1 ASSI { 425} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 73 and name HN )) 3.800 1.800 1.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.58920E-03 ppm1 0.849 ppm2 8.639 CV 1 ASSI { 426} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 10 and name HN )) 5.200 3.300 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.45165E-03 ppm1 0.852 ppm2 8.389 CV 1 ASSI { 431} (( segid " " and resid 11 and name HG )) (( segid " " and resid 54 and name HZ )) 3.800 1.800 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.44112E-03 ppm1 1.983 ppm2 7.460 CV 1 OR { 431} (( segid " " and resid 11 and name HG )) ( segid " " and resid 54 and name HD% ) ASSI { 433} (( segid " " and resid 11 and name HG )) (( segid " " and resid 12 and name HN )) 5.100 3.200 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.30527E-03 ppm1 1.983 ppm2 8.919 CV 1 ASSI { 434} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HN )) 3.900 1.900 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.10942E-02 ppm1 0.875 ppm2 9.236 CV 1 ASSI { 439} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 12 and name HN )) 5.400 3.700 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.32963E-03 ppm1 0.873 ppm2 8.925 CV 1 ASSI { 445} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HN )) 3.600 1.600 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 0.862 ppm2 8.196 CV 1 ASSI { 446} (( segid " " and resid 11 and name HA )) ( segid " " and resid 54 and name HE% ) 4.200 2.200 1.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.47162E-03 ppm1 4.262 ppm2 7.127 CV 1 ASSI { 447} (( segid " " and resid 11 and name HA )) (( segid " " and resid 54 and name HZ )) 4.700 2.700 1.300 peak 447 spectrum 1 weight 0.10000E+01 volume 0.39133E-03 ppm1 4.256 ppm2 7.448 CV 1 OR { 447} (( segid " " and resid 11 and name HA )) ( segid " " and resid 54 and name HD% ) ASSI { 456} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HA )) 4.100 2.100 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.15894E-02 ppm1 0.850 ppm2 4.244 CV 1 ASSI { 465} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HA )) 2.000 0.500 0.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.84235E-02 ppm1 0.876 ppm2 4.252 CV 1 ASSI { 475} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.100 0.500 0.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.76255E-02 ppm1 4.254 ppm2 2.107 CV 1 ASSI { 476} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG )) 2.700 0.900 0.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.28203E-02 ppm1 4.254 ppm2 1.985 CV 1 ASSI { 478} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.50237E-02 ppm1 0.851 ppm2 2.115 CV 1 ASSI { 479} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HG )) 1.900 0.400 0.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.16163E-01 ppm1 0.851 ppm2 1.983 CV 1 ASSI { 481} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HG )) 2.100 0.600 0.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.62748E-02 ppm1 0.874 ppm2 1.986 CV 1 ASSI { 482} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 482 spectrum 1 weight 0.10000E+01 volume 0.43510E-02 ppm1 0.876 ppm2 1.277 CV 1 ASSI { 483} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 72 and name HB% ) 3.600 1.600 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18078E-02 ppm1 0.875 ppm2 1.590 CV 1 ASSI { 486} (( segid " " and resid 11 and name HG )) (( segid " " and resid 11 and name HB2 )) 2.600 0.800 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.17161E-02 ppm1 1.986 ppm2 1.272 CV 1 ASSI { 490} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.41811E-02 ppm1 4.254 ppm2 1.270 CV 1 ASSI { 493} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HB2 )) 2.400 0.700 0.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.48085E-02 ppm1 0.850 ppm2 1.272 CV 1 ASSI { 498} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD1%) 2.300 0.700 0.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.46126E-02 ppm1 4.254 ppm2 0.744 CV 1 ASSI { 502} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 58 and name HG2%) 2.300 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.32616E-02 ppm1 0.857 ppm2 0.339 CV 1 ASSI { 503} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.33713E-02 ppm1 4.056 ppm2 8.923 CV 1 ASSI { 504} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.000 1.100 1.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.13303E-02 ppm1 4.056 ppm2 8.809 CV 1 ASSI { 505} (( segid " " and resid 12 and name HA )) (( segid " " and resid 16 and name HN )) 4.100 2.100 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.38532E-03 ppm1 4.056 ppm2 8.696 CV 1 ASSI { 506} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HN )) 3.900 1.900 1.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.49551E-03 ppm1 4.055 ppm2 8.194 CV 1 ASSI { 507} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HN )) 3.400 1.400 1.400 peak 507 spectrum 1 weight 0.10000E+01 volume 0.95727E-03 ppm1 4.059 ppm2 7.928 CV 1 ASSI { 508} (( segid " " and resid 12 and name HA )) (( segid " " and resid 26 and name HN )) 5.900 4.400 0.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.37581E-03 ppm1 4.060 ppm2 7.495 CV 1 ASSI { 509} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HN )) 5.400 3.700 0.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.18159E-03 ppm1 4.054 ppm2 9.234 CV 1 ASSI { 510} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.70627E-03 ppm1 1.687 ppm2 9.238 CV 1 ASSI { 511} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 23 and name HN )) 4.900 3.000 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.35408E-03 ppm1 1.687 ppm2 8.524 CV 1 ASSI { 512} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 14 and name HN )) 4.300 2.300 1.700 peak 512 spectrum 1 weight 0.10000E+01 volume 0.55430E-03 ppm1 1.685 ppm2 8.185 CV 1 ASSI { 514} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HN )) 2.100 0.600 0.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.86811E-02 ppm1 1.688 ppm2 8.922 CV 1 ASSI { 515} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 15 and name HN )) 4.400 2.400 1.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.66388E-03 ppm1 1.685 ppm2 8.804 CV 1 ASSI { 516} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.40169E-02 ppm1 1.688 ppm2 7.928 CV 1 ASSI { 519} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 15 and name HA )) 3.700 3.700 2.300 peak 519 spectrum 1 weight 0.10000E+01 volume 0.39933E-02 ppm1 1.688 ppm2 3.612 CV 1 ASSI { 521} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HA )) 2.000 0.500 0.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.92351E-02 ppm1 1.688 ppm2 4.055 CV 1 ASSI { 524} (( segid " " and resid 12 and name HA )) (( segid " " and resid 26 and name HB )) 3.300 1.400 1.400 peak 524 spectrum 1 weight 0.10000E+01 volume 0.28412E-02 ppm1 4.056 ppm2 2.330 CV 1 ASSI { 533} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG2%) 2.600 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.24922E-02 ppm1 4.055 ppm2 1.177 CV 1 ASSI { 539} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HG1 )) 5.400 3.600 0.600 peak 539 spectrum 1 weight 0.10000E+01 volume 0.29650E-03 ppm1 1.687 ppm2 2.614 CV 1 ASSI { 545} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 26 and name HG1%) 2.400 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.48373E-02 ppm1 1.688 ppm2 0.737 CV 1 ASSI { 549} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HB2 )) 4.600 2.600 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.44320E-03 ppm1 1.680 ppm2 1.248 CV 1 ASSI { 550} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 15 and name HG2%) 4.800 2.800 1.200 peak 550 spectrum 1 weight 0.10000E+01 volume 0.48396E-03 ppm1 1.687 ppm2 1.172 CV 1 ASSI { 552} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.36839E-02 ppm1 3.945 ppm2 7.927 CV 1 ASSI { 553} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HN )) 5.200 3.400 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.29599E-03 ppm1 3.943 ppm2 8.927 CV 1 ASSI { 558} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HN )) 2.500 2.500 3.500 peak 558 spectrum 1 weight 0.10000E+01 volume 0.31954E-02 ppm1 2.304 ppm2 7.928 CV 1 ASSI { 559} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HN )) 3.500 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.26192E-02 ppm1 2.224 ppm2 7.927 CV 1 ASSI { 560} (( segid " " and resid 13 and name HG1 )) (( segid " " and resid 14 and name HN )) 3.500 1.600 1.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.47848E-03 ppm1 2.619 ppm2 8.176 CV 1 ASSI { 561} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 14 and name HN )) 3.700 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.84171E-03 ppm1 2.309 ppm2 8.175 CV 1 ASSI { 563} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.24894E-02 ppm1 2.306 ppm2 7.928 CV 1 ASSI { 569} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HG1 )) 2.800 1.000 1.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.39153E-02 ppm1 2.302 ppm2 2.614 CV 1 ASSI { 570} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HG1 )) 2.500 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.37182E-02 ppm1 2.225 ppm2 2.615 CV 1 ASSI { 574} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HG1 )) 3.400 1.500 1.500 peak 574 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 3.947 ppm2 2.616 CV 1 ASSI { 581} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.11259E-02 ppm1 3.821 ppm2 8.813 CV 1 ASSI { 583} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.14405E-02 ppm1 3.818 ppm2 8.358 CV 1 ASSI { 584} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.600 0.800 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.41777E-02 ppm1 3.819 ppm2 8.179 CV 1 ASSI { 587} (( segid " " and resid 14 and name HB )) (( segid " " and resid 15 and name HN )) 2.400 0.700 0.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.29849E-02 ppm1 2.103 ppm2 8.812 CV 1 ASSI { 588} (( segid " " and resid 14 and name HB )) (( segid " " and resid 16 and name HN )) 4.600 2.700 1.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.41175E-03 ppm1 2.110 ppm2 8.690 CV 1 ASSI { 590} (( segid " " and resid 14 and name HB )) (( segid " " and resid 14 and name HN )) 2.200 0.600 0.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.56280E-02 ppm1 2.102 ppm2 8.176 CV 1 ASSI { 593} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 14 and name HN )) 3.800 1.800 1.800 peak 593 spectrum 1 weight 0.10000E+01 volume 0.18532E-02 ppm1 1.057 ppm2 8.179 CV 1 ASSI { 594} (( segid " " and resid 14 and name HG11)) (( segid " " and resid 14 and name HN )) 2.200 0.600 0.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.39508E-02 ppm1 1.989 ppm2 8.177 CV 1 ASSI { 595} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 12 and name HN )) 4.900 3.000 1.100 peak 595 spectrum 1 weight 0.10000E+01 volume 0.33183E-03 ppm1 0.741 ppm2 8.918 CV 1 ASSI { 596} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 15 and name HN )) 3.700 1.800 1.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.24000E-02 ppm1 0.744 ppm2 8.814 CV 1 ASSI { 597} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HN )) 3.400 1.400 1.400 peak 597 spectrum 1 weight 0.10000E+01 volume 0.28378E-02 ppm1 0.745 ppm2 8.181 CV 1 ASSI { 598} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HN )) 4.800 2.900 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.49812E-03 ppm1 0.744 ppm2 7.920 CV 1 ASSI { 599} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 54 and name HZ )) 4.100 2.100 1.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 0.745 ppm2 7.466 CV 1 OR { 599} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 54 and name HD% ) ASSI { 600} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 54 and name HE% ) 3.400 1.400 1.400 peak 600 spectrum 1 weight 0.10000E+01 volume 0.16141E-02 ppm1 0.743 ppm2 7.128 CV 1 ASSI { 601} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HN )) 4.800 2.800 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.28175E-03 ppm1 0.745 ppm2 9.235 CV 1 ASSI { 602} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HN )) 3.300 1.300 1.300 peak 602 spectrum 1 weight 0.10000E+01 volume 0.19362E-02 ppm1 1.068 ppm2 8.810 CV 1 ASSI { 603} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 16 and name HN )) 4.500 2.600 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.35729E-03 ppm1 1.066 ppm2 8.694 CV 1 ASSI { 604} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HN )) 3.700 1.700 1.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.17428E-02 ppm1 1.068 ppm2 8.183 CV 1 ASSI { 605} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 46 and name HN )) 5.100 3.200 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.39278E-03 ppm1 1.069 ppm2 8.073 CV 1 ASSI { 606} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 13 and name HN )) 5.000 3.100 1.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.54576E-03 ppm1 1.070 ppm2 7.907 CV 1 ASSI { 607} (( segid " " and resid 14 and name HB )) (( segid " " and resid 14 and name HA )) 2.900 1.000 1.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.21331E-02 ppm1 2.107 ppm2 3.817 CV 1 ASSI { 608} (( segid " " and resid 14 and name HB )) (( segid " " and resid 11 and name HA )) 2.400 0.700 0.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.38171E-02 ppm1 2.103 ppm2 4.250 CV 1 ASSI { 610} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 14 and name HA )) 2.600 0.800 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.33315E-02 ppm1 1.059 ppm2 3.817 CV 1 ASSI { 611} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 11 and name HA )) 4.900 2.900 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.58513E-03 ppm1 1.058 ppm2 4.256 CV 1 ASSI { 612} (( segid " " and resid 14 and name HG11)) (( segid " " and resid 11 and name HA )) 3.700 1.700 1.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.58760E-03 ppm1 1.988 ppm2 4.251 CV 1 ASSI { 613} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HA )) 3.500 1.500 1.500 peak 613 spectrum 1 weight 0.10000E+01 volume 0.12157E-02 ppm1 1.067 ppm2 3.598 CV 1 ASSI { 614} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 46 and name HA )) 2.000 0.500 0.500 peak 614 spectrum 1 weight 0.10000E+01 volume 0.52351E-02 ppm1 1.068 ppm2 3.425 CV 1 ASSI { 616} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 11 and name HA )) 4.200 2.200 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.11348E-02 ppm1 1.067 ppm2 4.248 CV 1 ASSI { 618} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 13 and name HA )) 4.400 2.400 1.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.74487E-03 ppm1 1.066 ppm2 3.943 CV 1 ASSI { 619} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HA )) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.42919E-02 ppm1 1.070 ppm2 3.820 CV 1 ASSI { 622} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HA )) 3.300 3.300 2.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.66242E-02 ppm1 0.745 ppm2 3.961 CV 1 ASSI { 623} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HA )) 3.900 1.900 1.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.21538E-02 ppm1 0.745 ppm2 3.823 CV 1 ASSI { 624} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 46 and name HA )) 4.000 2.000 2.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.59527E-03 ppm1 0.745 ppm2 3.420 CV 1 ASSI { 625} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HA )) 4.600 2.700 1.400 peak 625 spectrum 1 weight 0.10000E+01 volume 0.65804E-03 ppm1 3.820 ppm2 4.251 CV 1 ASSI { 626} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HG1 )) 3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.43158E-03 ppm1 3.813 ppm2 2.430 CV 1 ASSI { 629} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG11)) 2.500 0.800 0.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.50264E-02 ppm1 3.819 ppm2 1.987 CV 1 ASSI { 630} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 14 and name HB )) 3.100 1.200 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.18615E-02 ppm1 1.055 ppm2 2.097 CV 1 ASSI { 631} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 14 and name HG11)) 1.600 0.300 0.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.11393E-01 ppm1 1.063 ppm2 1.988 CV 1 ASSI { 634} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HG11)) 3.400 1.500 1.500 peak 634 spectrum 1 weight 0.10000E+01 volume 0.22048E-02 ppm1 1.069 ppm2 1.980 CV 1 ASSI { 640} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG11)) 2.100 0.500 0.500 peak 640 spectrum 1 weight 0.10000E+01 volume 0.89620E-02 ppm1 0.745 ppm2 1.988 CV 1 ASSI { 647} (( segid " " and resid 14 and name HA )) ( segid " " and resid 15 and name HG2%) 5.000 3.200 1.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.40187E-03 ppm1 3.818 ppm2 1.178 CV 1 ASSI { 648} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HG2%) 2.100 0.500 0.500 peak 648 spectrum 1 weight 0.10000E+01 volume 0.11442E-01 ppm1 3.819 ppm2 1.061 CV 1 OR { 648} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG12)) ASSI { 652} (( segid " " and resid 14 and name HB )) ( segid " " and resid 15 and name HG2%) 3.400 1.500 1.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.88674E-03 ppm1 2.102 ppm2 1.180 CV 1 ASSI { 653} (( segid " " and resid 14 and name HB )) ( segid " " and resid 14 and name HG2%) 2.100 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.72669E-02 ppm1 2.103 ppm2 1.066 CV 1 OR { 653} (( segid " " and resid 14 and name HB )) (( segid " " and resid 14 and name HG12)) ASSI { 655} (( segid " " and resid 14 and name HB )) ( segid " " and resid 11 and name HD2%) 4.200 2.200 1.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.80402E-03 ppm1 2.109 ppm2 0.860 CV 1 OR { 655} (( segid " " and resid 14 and name HB )) ( segid " " and resid 11 and name HD1%) ASSI { 657} (( segid " " and resid 14 and name HB )) ( segid " " and resid 46 and name HG1%) 3.400 1.400 1.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.43664E-03 ppm1 2.107 ppm2 0.646 CV 1 ASSI { 662} (( segid " " and resid 14 and name HG12)) ( segid " " and resid 14 and name HD1%) 2.300 0.600 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.55732E-02 ppm1 1.058 ppm2 0.743 CV 1 ASSI { 664} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 46 and name HG1%) 2.600 0.900 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.60857E-02 ppm1 1.068 ppm2 0.673 CV 1 ASSI { 667} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG12)) 1.900 0.400 0.400 peak 667 spectrum 1 weight 0.10000E+01 volume 0.20590E-01 ppm1 0.745 ppm2 1.066 CV 1 OR { 667} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 14 and name HG2%) ASSI { 668} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.500 0.800 0.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.32344E-02 ppm1 3.598 ppm2 8.811 CV 1 ASSI { 669} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.300 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.11587E-02 ppm1 3.597 ppm2 8.693 CV 1 ASSI { 670} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.18459E-02 ppm1 3.600 ppm2 8.516 CV 1 ASSI { 674} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HN )) 2.300 0.700 0.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.47720E-02 ppm1 2.250 ppm2 8.809 CV 1 ASSI { 675} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.22152E-02 ppm1 2.252 ppm2 8.694 CV 1 ASSI { 676} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HN )) 3.900 1.900 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.62140E-03 ppm1 1.177 ppm2 8.926 CV 1 ASSI { 677} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.000 0.500 0.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.68690E-02 ppm1 1.178 ppm2 8.810 CV 1 ASSI { 678} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.16530E-02 ppm1 1.178 ppm2 8.692 CV 1 ASSI { 679} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 19 and name HN )) 4.800 2.900 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.37667E-03 ppm1 1.177 ppm2 8.526 CV 1 ASSI { 680} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HN )) 4.100 2.100 1.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.89798E-03 ppm1 1.179 ppm2 8.183 CV 1 ASSI { 683} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 32 and name HD% ) 3.800 1.800 1.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.15389E-02 ppm1 1.179 ppm2 7.192 CV 1 ASSI { 685} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 32 and name HE% ) 2.100 0.600 0.600 peak 685 spectrum 1 weight 0.10000E+01 volume 0.38853E-02 ppm1 1.178 ppm2 6.988 CV 1 ASSI { 687} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 1.005 ppm2 8.810 CV 1 ASSI { 688} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) 3.700 1.700 1.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.10683E-02 ppm1 1.006 ppm2 8.699 CV 1 ASSI { 694} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 20 and name HN )) 4.600 2.600 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.21701E-03 ppm1 1.008 ppm2 7.825 CV 1 ASSI { 696} ( segid " " and resid 15 and name HG1%) ( segid " " and resid 32 and name HD% ) 3.300 1.400 1.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.73907E-03 ppm1 1.004 ppm2 7.195 CV 1 ASSI { 700} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HN )) 3.000 1.100 1.100 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11613E-02 ppm1 1.007 ppm2 6.459 CV 1 ASSI { 701} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HA )) 2.300 0.700 0.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.27684E-02 ppm1 2.249 ppm2 4.051 CV 1 ASSI { 708} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.300 0.600 0.600 peak 708 spectrum 1 weight 0.10000E+01 volume 0.71029E-02 ppm1 1.179 ppm2 3.595 CV 1 ASSI { 710} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HA )) 2.200 0.600 0.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.62853E-02 ppm1 1.004 ppm2 3.595 CV 1 ASSI { 711} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HA )) 5.700 4.100 0.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.28494E-03 ppm1 1.004 ppm2 4.808 CV 1 ASSI { 712} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 4.300 2.300 1.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.32611E-03 ppm1 1.002 ppm2 4.674 CV 1 ASSI { 719} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 32 and name HB1 )) 5.700 4.000 0.300 peak 719 spectrum 1 weight 0.10000E+01 volume 0.20890E-03 ppm1 1.179 ppm2 3.173 CV 1 OR { 719} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 32 and name HB2 )) ASSI { 722} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 32 and name HB1 )) 4.900 3.000 1.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.32715E-03 ppm1 1.003 ppm2 3.174 CV 1 OR { 722} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 32 and name HB2 )) ASSI { 724} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HB1 )) 5.800 4.200 0.200 peak 724 spectrum 1 weight 0.10000E+01 volume 0.18294E-03 ppm1 1.006 ppm2 3.084 CV 1 ASSI { 733} (( segid " " and resid 15 and name HA )) ( segid " " and resid 46 and name HG1%) 4.200 2.200 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.63433E-03 ppm1 3.601 ppm2 0.670 CV 1 ASSI { 741} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 38 and name HB )) 5.100 3.300 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.19302E-03 ppm1 1.178 ppm2 1.870 CV 1 ASSI { 745} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HG11)) 2.300 0.700 0.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.52265E-02 ppm1 1.005 ppm2 1.315 CV 1 OR { 745} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HG12)) ASSI { 750} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 46 and name HG2%) 1.700 0.400 0.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.21911E-01 ppm1 1.178 ppm2 0.990 CV 1 ASSI { 755} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 69 and name HG1%) 4.800 2.800 1.200 peak 755 spectrum 1 weight 0.10000E+01 volume 0.17335E-02 ppm1 1.177 ppm2 0.442 CV 1 ASSI { 756} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.23993E-02 ppm1 4.669 ppm2 8.693 CV 1 ASSI { 759} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 3.000 1.100 1.100 peak 759 spectrum 1 weight 0.10000E+01 volume 0.43846E-02 ppm1 3.109 ppm2 8.693 CV 1 ASSI { 765} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.26054E-02 ppm1 2.751 ppm2 8.360 CV 1 ASSI { 769} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HD22)) 3.800 1.800 1.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.13841E-02 ppm1 2.756 ppm2 8.072 CV 1 ASSI { 772} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 21 and name HN )) 4.900 2.900 1.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.34071E-03 ppm1 3.112 ppm2 6.457 CV 1 ASSI { 773} (( segid " " and resid 16 and name HA )) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.39678E-02 ppm1 4.668 ppm2 6.459 CV 1 ASSI { 777} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HD21)) 2.900 1.100 1.100 peak 777 spectrum 1 weight 0.10000E+01 volume 0.10617E-02 ppm1 4.667 ppm2 6.847 CV 1 ASSI { 778} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.400 1.400 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 4.666 ppm2 8.352 CV 1 ASSI { 780} (( segid " " and resid 16 and name HA )) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 780 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 4.661 ppm2 7.835 CV 1 ASSI { 781} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HD22)) 3.700 1.700 1.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.29224E-02 ppm1 4.671 ppm2 8.068 CV 1 ASSI { 783} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 21 and name HN )) 6.000 4.800 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.14183E-03 ppm1 2.740 ppm2 6.463 CV 1 ASSI { 793} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HB1 )) 1.800 0.400 0.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.11693E-01 ppm1 2.754 ppm2 3.110 CV 1 ASSI { 794} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.400 1.400 1.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.19323E-02 ppm1 4.676 ppm2 2.743 CV 1 ASSI { 795} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) 2.500 0.800 0.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.41294E-02 ppm1 4.669 ppm2 3.100 CV 1 ASSI { 796} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HG1 )) 4.900 3.000 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.74729E-03 ppm1 3.100 ppm2 2.474 CV 1 ASSI { 814} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HN )) 3.700 1.700 1.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.14353E-02 ppm1 2.431 ppm2 8.362 CV 1 ASSI { 815} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HN )) 2.900 1.100 1.100 peak 815 spectrum 1 weight 0.10000E+01 volume 0.17985E-02 ppm1 2.260 ppm2 8.358 CV 1 ASSI { 817} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.600 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.45742E-02 ppm1 3.933 ppm2 8.367 CV 1 ASSI { 819} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.700 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.32870E-02 ppm1 3.942 ppm2 8.041 CV 1 ASSI { 820} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 3.400 1.400 1.400 peak 820 spectrum 1 weight 0.10000E+01 volume 0.10594E-02 ppm1 3.945 ppm2 7.938 CV 1 ASSI { 824} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 25 and name HN )) 3.800 1.800 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.11168E-02 ppm1 2.286 ppm2 7.748 CV 1 OR { 824} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 25 and name HN )) ASSI { 828} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 14 and name HA )) 3.900 1.900 1.900 peak 828 spectrum 1 weight 0.10000E+01 volume 0.52315E-03 ppm1 2.265 ppm2 3.815 CV 1 ASSI { 834} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.900 1.000 1.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.49510E-02 ppm1 3.930 ppm2 2.142 CV 1 ASSI { 835} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG1 )) 3.500 1.500 1.500 peak 835 spectrum 1 weight 0.10000E+01 volume 0.26120E-02 ppm1 3.931 ppm2 2.430 CV 1 ASSI { 839} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HA )) 3.100 1.200 1.200 peak 839 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 2.141 ppm2 3.815 CV 1 ASSI { 849} (( segid " " and resid 18 and name HA )) (( segid " " and resid 20 and name HN )) 4.400 2.400 1.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.33422E-03 ppm1 3.943 ppm2 7.834 CV 1 ASSI { 850} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 18 and name HN )) 2.300 0.700 0.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.28569E-02 ppm1 1.643 ppm2 8.203 CV 1 ASSI { 851} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 18 and name HN )) 3.800 1.800 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.18699E-02 ppm1 1.324 ppm2 8.201 CV 1 ASSI { 852} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 19 and name HN )) 5.700 4.000 0.300 peak 852 spectrum 1 weight 0.10000E+01 volume 0.30842E-03 ppm1 1.318 ppm2 8.500 CV 1 ASSI { 854} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 18 and name HA )) 2.900 1.000 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.34701E-02 ppm1 1.646 ppm2 3.934 CV 1 ASSI { 856} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HN )) 3.800 1.800 1.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 0.955 ppm2 8.512 CV 1 ASSI { 861} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HN )) 4.000 2.000 2.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.16697E-02 ppm1 0.958 ppm2 8.199 CV 1 ASSI { 863} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 46 and name HN )) 5.100 3.200 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.41724E-03 ppm1 0.958 ppm2 8.047 CV 1 ASSI { 865} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 44 and name HN )) 5.700 4.000 0.300 peak 865 spectrum 1 weight 0.10000E+01 volume 0.17984E-03 ppm1 0.964 ppm2 7.260 CV 1 ASSI { 866} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HN )) 4.700 2.800 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.49222E-03 ppm1 0.955 ppm2 6.991 CV 1 ASSI { 869} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HA )) 4.800 2.900 1.200 peak 869 spectrum 1 weight 0.10000E+01 volume 0.85102E-03 ppm1 0.782 ppm2 4.061 CV 1 ASSI { 870} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HA )) 3.700 1.700 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.32799E-02 ppm1 0.784 ppm2 3.938 CV 1 ASSI { 871} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 14 and name HA )) 2.900 2.900 3.100 peak 871 spectrum 1 weight 0.10000E+01 volume 0.84098E-03 ppm1 0.784 ppm2 3.811 CV 1 ASSI { 872} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 42 and name HB2 )) 4.500 2.500 1.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.33164E-03 ppm1 0.786 ppm2 3.687 CV 1 ASSI { 874} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 46 and name HA )) 2.700 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.50753E-02 ppm1 0.784 ppm2 3.425 CV 1 ASSI { 875} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 42 and name HA )) 3.500 1.500 1.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.63853E-03 ppm1 0.786 ppm2 4.269 CV 1 ASSI { 876} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.17375E-02 ppm1 0.955 ppm2 4.290 CV 1 ASSI { 878} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HA )) 2.300 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.70408E-02 ppm1 0.953 ppm2 3.942 CV 1 ASSI { 880} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HA )) 3.600 1.600 1.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.88871E-03 ppm1 0.956 ppm2 4.813 CV 1 ASSI { 881} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 15 and name HN )) 4.400 2.400 1.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.64694E-03 ppm1 0.784 ppm2 8.809 CV 1 ASSI { 882} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 19 and name HN )) 4.900 3.000 1.100 peak 882 spectrum 1 weight 0.10000E+01 volume 0.41661E-03 ppm1 0.784 ppm2 8.499 CV 1 ASSI { 884} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HN )) 3.800 1.800 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.16718E-02 ppm1 0.783 ppm2 8.200 CV 1 ASSI { 885} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 46 and name HN )) 3.300 1.400 1.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.14728E-02 ppm1 0.784 ppm2 8.079 CV 1 ASSI { 886} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 49 and name HN )) 4.300 2.300 1.700 peak 886 spectrum 1 weight 0.10000E+01 volume 0.73482E-03 ppm1 0.784 ppm2 7.907 CV 1 ASSI { 887} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HN )) 4.600 2.700 1.400 peak 887 spectrum 1 weight 0.10000E+01 volume 0.40604E-03 ppm1 0.786 ppm2 6.991 CV 1 ASSI { 888} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HG11)) 2.000 0.500 0.500 peak 888 spectrum 1 weight 0.10000E+01 volume 0.10455E-01 ppm1 0.783 ppm2 1.638 CV 1 OR { 888} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HB )) ASSI { 891} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HG12)) 2.200 0.600 0.600 peak 891 spectrum 1 weight 0.10000E+01 volume 0.59724E-02 ppm1 0.784 ppm2 1.312 CV 1 ASSI { 892} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HG1 )) 4.100 2.100 1.900 peak 892 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 0.785 ppm2 2.445 CV 1 ASSI { 896} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 46 and name HA )) 5.400 3.600 0.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.55517E-03 ppm1 0.958 ppm2 3.412 CV 1 ASSI { 897} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 42 and name HB2 )) 3.500 1.500 1.500 peak 897 spectrum 1 weight 0.10000E+01 volume 0.30850E-02 ppm1 0.954 ppm2 3.663 CV 1 ASSI { 899} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HG1 )) 3.900 1.900 1.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.71034E-03 ppm1 0.955 ppm2 2.450 CV 1 ASSI { 902} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HB2 )) 3.400 1.500 1.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.16698E-02 ppm1 0.963 ppm2 2.197 CV 1 ASSI { 908} (( segid " " and resid 18 and name HG11)) ( segid " " and resid 14 and name HG2%) 3.300 1.400 1.400 peak 908 spectrum 1 weight 0.10000E+01 volume 0.91484E-03 ppm1 1.637 ppm2 1.068 CV 1 OR { 908} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 14 and name HG12)) ASSI { 910} (( segid " " and resid 18 and name HG11)) ( segid " " and resid 18 and name HD1%) 2.300 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.39686E-02 ppm1 1.645 ppm2 0.783 CV 1 ASSI { 913} (( segid " " and resid 18 and name HG12)) ( segid " " and resid 14 and name HG2%) 4.200 2.200 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.93105E-03 ppm1 1.321 ppm2 1.063 CV 1 ASSI { 915} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HB )) 2.100 0.500 0.500 peak 915 spectrum 1 weight 0.10000E+01 volume 0.11657E-01 ppm1 0.953 ppm2 1.632 CV 1 OR { 915} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HG11)) ASSI { 917} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HG12)) 2.500 0.800 0.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.41485E-02 ppm1 0.957 ppm2 1.318 CV 1 ASSI { 918} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 14 and name HG2%) 2.300 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.97604E-02 ppm1 0.784 ppm2 1.055 CV 1 ASSI { 920} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 15 and name HG2%) 4.700 2.700 1.300 peak 920 spectrum 1 weight 0.10000E+01 volume 0.75917E-03 ppm1 0.783 ppm2 1.200 CV 1 ASSI { 921} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 16 and name HN )) 4.400 2.400 1.600 peak 921 spectrum 1 weight 0.10000E+01 volume 0.72742E-03 ppm1 1.543 ppm2 8.699 CV 1 ASSI { 923} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 19 and name HN )) 2.100 0.600 0.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.68690E-02 ppm1 1.543 ppm2 8.514 CV 1 ASSI { 926} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 18 and name HN )) 4.100 2.100 1.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.94622E-03 ppm1 1.544 ppm2 8.208 CV 1 ASSI { 929} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.19824E-02 ppm1 1.543 ppm2 6.458 CV 1 ASSI { 931} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 19 and name HA )) 2.000 0.500 0.500 peak 931 spectrum 1 weight 0.10000E+01 volume 0.12694E-01 ppm1 1.543 ppm2 4.816 CV 1 ASSI { 938} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 15 and name HA )) 3.400 1.500 1.500 peak 938 spectrum 1 weight 0.10000E+01 volume 0.14558E-02 ppm1 1.543 ppm2 3.596 CV 1 ASSI { 943} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 15 and name HG2%) 4.100 2.100 1.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.14896E-02 ppm1 1.542 ppm2 1.186 CV 1 ASSI { 945} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HG11)) 2.200 0.600 0.600 peak 945 spectrum 1 weight 0.10000E+01 volume 0.57906E-02 ppm1 1.542 ppm2 1.338 CV 1 OR { 945} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HG12)) ASSI { 950} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 38 and name HB )) 3.300 1.400 1.400 peak 950 spectrum 1 weight 0.10000E+01 volume 0.15247E-02 ppm1 1.542 ppm2 1.891 CV 1 ASSI { 952} (( segid " " and resid 20 and name HA1 )) (( segid " " and resid 16 and name HA )) 5.200 3.400 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.33985E-03 ppm1 4.074 ppm2 4.663 CV 1 ASSI { 953} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 16 and name HA )) 3.900 1.900 1.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.31843E-03 ppm1 3.951 ppm2 4.668 CV 1 ASSI { 955} (( segid " " and resid 20 and name HA1 )) (( segid " " and resid 21 and name HA )) 4.200 2.200 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.30640E-03 ppm1 4.079 ppm2 4.327 CV 1 ASSI { 956} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 21 and name HA )) 5.000 3.200 1.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.15675E-03 ppm1 3.940 ppm2 4.332 CV 1 ASSI { 957} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 19 and name HA )) 5.100 3.200 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.29732E-03 ppm1 3.954 ppm2 4.816 CV 1 ASSI { 959} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 16 and name HD21)) 5.100 3.300 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.22122E-03 ppm1 3.936 ppm2 6.855 CV 1 ASSI { 960} (( segid " " and resid 20 and name HA1 )) (( segid " " and resid 21 and name HN )) 3.400 1.400 1.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.12665E-02 ppm1 4.065 ppm2 6.455 CV 1 ASSI { 961} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 21 and name HN )) 3.500 1.500 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 3.945 ppm2 6.455 CV 1 ASSI { 962} (( segid " " and resid 20 and name HA1 )) (( segid " " and resid 19 and name HN )) 4.800 2.900 1.200 peak 962 spectrum 1 weight 0.10000E+01 volume 0.48496E-03 ppm1 4.069 ppm2 8.516 CV 1 ASSI { 963} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 19 and name HN )) 4.600 2.600 1.400 peak 963 spectrum 1 weight 0.10000E+01 volume 0.47551E-03 ppm1 3.950 ppm2 8.516 CV 1 ASSI { 964} (( segid " " and resid 20 and name HA1 )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.50282E-02 ppm1 4.066 ppm2 7.828 CV 1 ASSI { 965} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 20 and name HN )) 2.400 0.700 0.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.44074E-02 ppm1 3.950 ppm2 7.826 CV 1 ASSI { 967} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HN )) 4.200 2.200 1.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.70006E-03 ppm1 1.007 ppm2 6.460 CV 1 ASSI { 968} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HN )) 3.300 1.400 1.400 peak 968 spectrum 1 weight 0.10000E+01 volume 0.13122E-02 ppm1 0.839 ppm2 6.460 CV 1 ASSI { 969} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.500 0.800 0.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.23619E-02 ppm1 4.325 ppm2 6.457 CV 1 ASSI { 970} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 25 and name HA )) 5.600 3.900 0.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.26831E-03 ppm1 1.008 ppm2 4.609 CV 1 ASSI { 971} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HA )) 2.500 0.800 0.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.27937E-02 ppm1 1.005 ppm2 4.324 CV 1 ASSI { 973} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HD2 )) 2.500 0.800 0.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.24958E-02 ppm1 1.008 ppm2 3.700 CV 1 ASSI { 977} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 22 and name HD2 )) 4.500 2.500 1.500 peak 977 spectrum 1 weight 0.10000E+01 volume 0.75318E-03 ppm1 0.839 ppm2 3.694 CV 1 ASSI { 980} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HA )) 2.300 0.700 0.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.41925E-02 ppm1 0.839 ppm2 4.327 CV 1 ASSI { 985} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HD2 )) 2.600 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.65740E-02 ppm1 4.325 ppm2 3.700 CV 1 ASSI { 986} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HD1 )) 1.700 0.400 0.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.11664E-01 ppm1 4.325 ppm2 4.040 CV 1 ASSI { 991} (( segid " " and resid 21 and name HA )) (( segid " " and resid 25 and name HB1 )) 5.300 3.400 0.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.26545E-03 ppm1 4.325 ppm2 2.710 CV 1 ASSI { 992} (( segid " " and resid 21 and name HA )) (( segid " " and resid 37 and name HB2 )) 5.300 3.500 0.700 peak 992 spectrum 1 weight 0.10000E+01 volume 0.34830E-03 ppm1 4.327 ppm2 2.472 CV 1 ASSI { 994} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HG1 )) 4.400 2.400 1.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 4.325 ppm2 2.133 CV 1 ASSI { 995} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HG2 )) 4.900 3.000 1.100 peak 995 spectrum 1 weight 0.10000E+01 volume 0.10198E-02 ppm1 4.324 ppm2 1.945 CV 1 ASSI { 998} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG11)) 2.900 1.000 1.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.27351E-02 ppm1 4.324 ppm2 1.312 CV 1 OR { 998} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG12)) ASSI { 1001} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.88318E-03 ppm1 0.839 ppm2 2.463 CV 1 ASSI { 1005} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 25 and name HB1 )) 2.300 0.700 0.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 1.007 ppm2 2.678 CV 1 ASSI { 1007} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HB2 )) 4.400 2.400 1.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.41870E-03 ppm1 1.007 ppm2 1.739 CV 1 ASSI { 1013} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HG1 )) 5.200 3.300 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.44717E-03 ppm1 1.007 ppm2 2.137 CV 1 ASSI { 1015} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HG12)) 2.600 0.900 0.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 1.008 ppm2 1.319 CV 1 OR { 1015} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HG11)) ASSI { 1016} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HG11)) 2.000 0.500 0.500 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.88231E-02 ppm1 0.839 ppm2 1.307 CV 1 OR { 1016} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HG12)) ASSI { 1023} (( segid " " and resid 22 and name HA )) (( segid " " and resid 16 and name HD21)) 2.800 1.000 1.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.21447E-02 ppm1 4.305 ppm2 6.852 CV 1 ASSI { 1024} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HN )) 4.000 2.000 2.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.92329E-03 ppm1 4.307 ppm2 9.241 CV 1 ASSI { 1026} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 2.000 0.500 0.500 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.13308E-01 ppm1 4.305 ppm2 8.513 CV 1 ASSI { 1028} (( segid " " and resid 22 and name HA )) (( segid " " and resid 16 and name HD22)) 2.900 2.900 3.100 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.28464E-02 ppm1 4.304 ppm2 8.067 CV 1 ASSI { 1029} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HN )) 5.700 4.000 0.300 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.23693E-03 ppm1 4.303 ppm2 7.769 CV 1 ASSI { 1030} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 25 and name HN )) 5.000 3.200 1.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.81617E-03 ppm1 2.355 ppm2 7.745 CV 1 ASSI { 1032} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.88492E-03 ppm1 1.763 ppm2 9.246 CV 1 ASSI { 1033} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) 3.400 1.400 1.400 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 1.766 ppm2 8.515 CV 1 ASSI { 1034} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 24 and name HN )) 4.200 2.200 1.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.89136E-03 ppm1 2.352 ppm2 9.246 CV 1 ASSI { 1035} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.16693E-02 ppm1 2.352 ppm2 8.513 CV 1 ASSI { 1037} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 23 and name HN )) 5.700 4.000 0.300 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.31793E-03 ppm1 1.944 ppm2 8.518 CV 1 ASSI { 1044} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HD2 )) 4.000 2.000 2.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.61606E-03 ppm1 4.299 ppm2 3.685 CV 1 ASSI { 1045} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HA )) 4.300 2.300 1.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.54987E-03 ppm1 4.302 ppm2 3.619 CV 1 ASSI { 1046} (( segid " " and resid 22 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.400 1.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.58011E-03 ppm1 4.305 ppm2 3.105 CV 1 ASSI { 1048} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB1 )) 6.000 4.800 0.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.11362E-03 ppm1 4.305 ppm2 2.653 CV 1 ASSI { 1049} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) 2.200 0.600 0.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.63113E-02 ppm1 4.305 ppm2 2.351 CV 1 ASSI { 1050} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HG1 )) 3.300 1.400 1.400 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.12315E-02 ppm1 4.307 ppm2 2.134 CV 1 ASSI { 1051} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HG2 )) 3.700 1.700 1.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.26269E-02 ppm1 4.306 ppm2 1.945 CV 1 ASSI { 1052} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 25 and name HB1 )) 5.600 4.000 0.400 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.51657E-03 ppm1 2.350 ppm2 2.692 CV 1 ASSI { 1057} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HD2 )) 3.900 1.900 1.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.14331E-02 ppm1 2.351 ppm2 3.702 CV 1 ASSI { 1060} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 21 and name HN )) 4.500 2.600 1.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.41005E-03 ppm1 4.042 ppm2 6.452 CV 1 ASSI { 1061} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 21 and name HN )) 3.500 3.500 2.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.25221E-03 ppm1 3.701 ppm2 6.456 CV 1 ASSI { 1064} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 25 and name HB1 )) 4.900 3.000 1.100 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.51840E-03 ppm1 4.038 ppm2 2.690 CV 1 ASSI { 1065} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 25 and name HB1 )) 3.000 1.200 1.200 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.10599E-02 ppm1 3.702 ppm2 2.680 CV 1 ASSI { 1066} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 25 and name HB2 )) 2.800 1.000 1.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.81151E-03 ppm1 3.700 ppm2 2.617 CV 1 ASSI { 1067} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 25 and name HB2 )) 5.200 3.400 0.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.31897E-03 ppm1 4.042 ppm2 2.599 CV 1 ASSI { 1069} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HG1 )) 2.300 0.700 0.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.40352E-02 ppm1 4.040 ppm2 2.133 CV 1 ASSI { 1070} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HG2 )) 2.600 0.800 0.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.43162E-02 ppm1 4.040 ppm2 1.946 CV 1 ASSI { 1071} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HB2 )) 3.800 1.800 1.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.15508E-02 ppm1 4.040 ppm2 1.760 CV 1 ASSI { 1072} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HG1 )) 2.900 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.46774E-02 ppm1 3.702 ppm2 2.134 CV 1 ASSI { 1073} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HG2 )) 2.400 0.700 0.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.33192E-02 ppm1 3.702 ppm2 1.946 CV 1 ASSI { 1074} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.20923E-02 ppm1 3.701 ppm2 1.759 CV 1 ASSI { 1078} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HG2 )) 1.600 0.300 0.600 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.17851E-01 ppm1 2.134 ppm2 1.947 CV 1 ASSI { 1083} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HB2 )) 2.300 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.49542E-02 ppm1 1.949 ppm2 1.761 CV 1 ASSI { 1085} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HB2 )) 1.600 0.300 0.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.17311E-01 ppm1 2.353 ppm2 1.759 CV 1 ASSI { 1088} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HG1 )) 2.900 1.000 1.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.52781E-02 ppm1 1.763 ppm2 2.134 CV 1 ASSI { 1089} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HG1 )) 2.300 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.46363E-02 ppm1 2.352 ppm2 2.134 CV 1 ASSI { 1090} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 3.000 1.100 1.100 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.33050E-02 ppm1 4.304 ppm2 1.759 CV 1 ASSI { 1096} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 23 and name HG2%) 4.200 2.200 1.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 2.350 ppm2 0.993 CV 1 ASSI { 1099} (( segid " " and resid 22 and name HG2 )) ( segid " " and resid 23 and name HG2%) 5.600 4.000 0.400 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.39015E-03 ppm1 1.946 ppm2 0.997 CV 1 ASSI { 1100} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 21 and name HG11)) 4.800 2.900 1.200 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 4.039 ppm2 1.310 CV 1 OR { 1100} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 21 and name HG12)) ASSI { 1102} (( segid " " and resid 22 and name HD1 )) ( segid " " and resid 21 and name HD1%) 4.000 2.000 2.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.10021E-02 ppm1 4.042 ppm2 0.833 CV 1 ASSI { 1103} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 21 and name HG12)) 4.800 2.900 1.200 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.64803E-03 ppm1 3.702 ppm2 1.319 CV 1 OR { 1103} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 21 and name HG11)) ASSI { 1106} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HN )) 3.000 1.100 1.100 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.44061E-02 ppm1 2.043 ppm2 8.513 CV 1 ASSI { 1107} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HN )) 2.300 0.700 0.700 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.81905E-02 ppm1 1.005 ppm2 8.514 CV 1 OR { 1107} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HN )) ASSI { 1114} (( segid " " and resid 23 and name HA )) ( segid " " and resid 12 and name HB% ) 2.400 0.700 0.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.47222E-02 ppm1 3.614 ppm2 1.683 CV 1 ASSI { 1119} (( segid " " and resid 23 and name HA )) (( segid " " and resid 16 and name HB2 )) 4.400 2.400 1.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.62825E-03 ppm1 3.614 ppm2 2.756 CV 1 ASSI { 1120} (( segid " " and resid 23 and name HA )) (( segid " " and resid 25 and name HN )) 4.000 2.000 2.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.76542E-03 ppm1 3.614 ppm2 7.749 CV 1 ASSI { 1122} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.12533E-02 ppm1 3.614 ppm2 9.243 CV 1 ASSI { 1124} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HA )) 2.400 0.700 0.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.50675E-02 ppm1 2.043 ppm2 3.613 CV 1 ASSI { 1128} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.35520E-02 ppm1 1.005 ppm2 9.243 CV 1 OR { 1128} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HN )) ASSI { 1133} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 43 and name HN )) 4.800 2.800 1.200 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.35151E-03 ppm1 1.004 ppm2 8.395 CV 1 ASSI { 1135} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 16 and name HD21)) 4.200 2.200 1.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.76067E-03 ppm1 1.005 ppm2 6.854 CV 1 OR { 1135} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 16 and name HD21)) ASSI { 1138} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 48 and name HA )) 2.500 0.800 0.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.80553E-02 ppm1 0.999 ppm2 3.949 CV 1 ASSI { 1141} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 60 and name HB1 )) 4.000 2.000 2.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.63721E-03 ppm1 1.006 ppm2 2.613 CV 1 OR { 1141} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 60 and name HB2 )) ASSI { 1145} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 12 and name HB% ) 2.900 1.100 1.100 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.37111E-02 ppm1 1.004 ppm2 1.681 CV 1 OR { 1145} ( segid " " and resid 23 and name HG1%) ( segid " " and resid 12 and name HB% ) ASSI { 1147} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.800 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.25913E-02 ppm1 4.605 ppm2 7.742 CV 1 ASSI { 1149} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB1 )) 2.800 1.000 1.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.32758E-02 ppm1 4.604 ppm2 2.687 CV 1 ASSI { 1150} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.400 0.700 0.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.54087E-02 ppm1 4.605 ppm2 2.598 CV 1 ASSI { 1153} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 24 and name HA )) 4.900 3.000 1.100 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.42264E-03 ppm1 2.594 ppm2 4.046 CV 1 ASSI { 1158} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) 4.000 2.000 2.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.77881E-03 ppm1 2.602 ppm2 7.489 CV 1 ASSI { 1161} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.300 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.32964E-02 ppm1 2.604 ppm2 7.748 CV 1 ASSI { 1163} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 22 and name HB2 )) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.54293E-03 ppm1 2.682 ppm2 1.759 CV 1 ASSI { 1164} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 22 and name HB2 )) 3.500 1.600 1.600 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.62734E-03 ppm1 2.603 ppm2 1.761 CV 1 ASSI { 1168} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 21 and name HG2%) 3.300 1.400 1.400 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.23066E-02 ppm1 2.603 ppm2 1.009 CV 1 ASSI { 1173} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HB1 )) 4.300 2.300 1.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.38433E-03 ppm1 4.603 ppm2 1.997 CV 1 OR { 1173} (( segid " " and resid 25 and name HA )) (( segid " " and resid 24 and name HB2 )) ASSI { 1176} (( segid " " and resid 26 and name HB )) (( segid " " and resid 26 and name HN )) 2.300 0.700 0.700 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.46719E-02 ppm1 2.340 ppm2 7.488 CV 1 ASSI { 1178} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 1.900 0.400 0.400 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.98774E-02 ppm1 3.542 ppm2 6.350 CV 1 ASSI { 1182} (( segid " " and resid 26 and name HB )) (( segid " " and resid 26 and name HA )) 2.900 1.000 1.000 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.16706E-02 ppm1 2.340 ppm2 3.540 CV 1 ASSI { 1185} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HG1 )) 4.000 2.000 2.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.98929E-03 ppm1 3.542 ppm2 1.796 CV 1 ASSI { 1193} (( segid " " and resid 26 and name HA )) ( segid " " and resid 69 and name HG1%) 3.600 1.600 1.600 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.11767E-02 ppm1 3.539 ppm2 0.444 CV 1 ASSI { 1196} (( segid " " and resid 26 and name HB )) ( segid " " and resid 12 and name HB% ) 2.200 0.600 0.600 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.62058E-02 ppm1 2.340 ppm2 1.684 CV 1 ASSI { 1208} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 32 and name HE% ) 3.900 1.900 1.900 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.44715E-03 ppm1 0.738 ppm2 6.988 CV 1 ASSI { 1210} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 27 and name HN )) 3.200 1.300 1.300 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.18961E-02 ppm1 0.740 ppm2 6.352 CV 1 ASSI { 1211} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 69 and name HN )) 6.000 4.700 0.000 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.19477E-03 ppm1 0.739 ppm2 8.143 CV 1 ASSI { 1212} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 13 and name HN )) 3.600 1.600 1.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.22351E-03 ppm1 0.738 ppm2 7.929 CV 1 ASSI { 1214} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 25 and name HN )) 5.500 3.800 0.500 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.29918E-03 ppm1 0.743 ppm2 7.737 CV 1 ASSI { 1218} (( segid " " and resid 26 and name HB )) (( segid " " and resid 25 and name HN )) 4.400 2.500 1.600 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.42923E-03 ppm1 2.344 ppm2 7.752 CV 1 ASSI { 1221} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.14361E-02 ppm1 0.738 ppm2 8.922 CV 1 ASSI { 1222} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 15 and name HN )) 5.000 3.100 1.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.37861E-03 ppm1 0.736 ppm2 8.811 CV 1 ASSI { 1224} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 16 and name HN )) 4.300 2.300 1.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.74281E-04 ppm1 0.734 ppm2 8.676 CV 1 ASSI { 1225} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 28 and name HN )) 5.300 3.600 0.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.15130E-03 ppm1 0.739 ppm2 8.453 CV 1 ASSI { 1231} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 3.800 1.800 1.800 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 2.064 ppm2 6.354 CV 1 ASSI { 1242} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 35 and name HB2 )) 3.900 1.900 1.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.11027E-02 ppm1 1.479 ppm2 2.716 CV 1 ASSI { 1243} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HE1 )) 2.700 0.900 0.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.26225E-02 ppm1 1.571 ppm2 2.995 CV 1 OR { 1243} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HE2 )) ASSI { 1246} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.21086E-02 ppm1 1.476 ppm2 4.400 CV 1 ASSI { 1247} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HB1 )) 3.400 1.400 1.400 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.11758E-02 ppm1 1.575 ppm2 2.063 CV 1 ASSI { 1250} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HG1 )) 2.400 0.700 0.700 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.30567E-02 ppm1 1.480 ppm2 1.804 CV 1 ASSI { 1252} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HG2 )) 2.800 1.000 1.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.42221E-02 ppm1 1.475 ppm2 1.357 CV 1 OR { 1252} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HB2 )) ASSI { 1253} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HG2 )) 2.300 0.700 0.700 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.50661E-02 ppm1 1.569 ppm2 1.351 CV 1 OR { 1253} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HB2 )) ASSI { 1254} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 31 and name HN )) 5.100 3.300 0.900 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.41776E-03 ppm1 1.572 ppm2 10.152 CV 1 ASSI { 1255} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 31 and name HN )) 5.100 3.300 0.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.39775E-03 ppm1 1.467 ppm2 10.163 CV 1 ASSI { 1256} (( segid " " and resid 30 and name HD1 )) ( segid " " and resid 36 and name HD2%) 4.500 2.500 1.500 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.76798E-03 ppm1 1.568 ppm2 0.775 CV 1 ASSI { 1257} (( segid " " and resid 30 and name HD2 )) ( segid " " and resid 36 and name HD2%) 4.200 2.200 1.800 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.53708E-03 ppm1 1.463 ppm2 0.764 CV 1 ASSI { 1258} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HA )) 3.900 1.900 1.900 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.64292E-03 ppm1 1.733 ppm2 4.626 CV 1 ASSI { 1259} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HA )) 4.600 2.600 1.400 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.54494E-03 ppm1 1.638 ppm2 4.632 CV 1 ASSI { 1269} (( segid " " and resid 28 and name HA )) (( segid " " and resid 70 and name HN )) 2.100 0.500 0.500 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.31194E-02 ppm1 3.585 ppm2 9.409 CV 1 ASSI { 1272} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 2.600 0.800 0.800 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.20711E-02 ppm1 3.584 ppm2 8.461 CV 1 ASSI { 1275} (( segid " " and resid 28 and name HA )) (( segid " " and resid 69 and name HN )) 4.300 2.300 1.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.75958E-03 ppm1 3.584 ppm2 8.140 CV 1 ASSI { 1277} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 70 and name HN )) 5.500 3.800 0.500 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.28228E-03 ppm1 1.737 ppm2 9.413 CV 1 ASSI { 1278} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 70 and name HN )) 4.300 2.300 1.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.47811E-03 ppm1 1.460 ppm2 9.410 CV 1 ASSI { 1279} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.600 1.600 1.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.13246E-02 ppm1 1.465 ppm2 8.458 CV 1 ASSI { 1281} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HN )) 2.600 0.800 0.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.24008E-02 ppm1 1.736 ppm2 8.460 CV 1 ASSI { 1283} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 70 and name HA2 )) 3.000 1.100 1.100 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.93471E-03 ppm1 1.460 ppm2 3.796 CV 1 ASSI { 1284} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 70 and name HA2 )) 4.800 2.800 1.200 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.38487E-03 ppm1 1.735 ppm2 3.789 CV 1 ASSI { 1286} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HA )) 2.700 0.900 0.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.22903E-02 ppm1 1.736 ppm2 3.578 CV 1 ASSI { 1287} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 70 and name HA1 )) 4.600 2.600 1.400 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.57106E-03 ppm1 1.736 ppm2 4.007 CV 1 ASSI { 1296} (( segid " " and resid 28 and name HA )) (( segid " " and resid 70 and name HA2 )) 3.100 1.200 1.200 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.11219E-02 ppm1 3.584 ppm2 3.789 CV 1 ASSI { 1297} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HB2 )) 4.800 2.900 1.200 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.30167E-03 ppm1 3.582 ppm2 2.583 CV 1 ASSI { 1298} (( segid " " and resid 28 and name HA )) (( segid " " and resid 69 and name HB )) 1.900 0.400 0.400 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.71047E-02 ppm1 3.584 ppm2 2.276 CV 1 ASSI { 1300} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB1 )) 2.400 0.700 0.700 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.48464E-02 ppm1 3.584 ppm2 1.745 CV 1 OR { 1300} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG )) ASSI { 1302} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB2 )) 2.100 0.600 0.600 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.46116E-02 ppm1 3.584 ppm2 1.464 CV 1 ASSI { 1306} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HD1%) 2.800 1.000 1.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.71267E-02 ppm1 3.584 ppm2 0.808 CV 1 ASSI { 1308} (( segid " " and resid 28 and name HA )) ( segid " " and resid 69 and name HG2%) 3.200 1.300 1.300 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.57148E-02 ppm1 3.584 ppm2 0.646 CV 1 ASSI { 1310} (( segid " " and resid 28 and name HA )) ( segid " " and resid 69 and name HG1%) 3.100 1.200 1.200 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.16153E-02 ppm1 3.583 ppm2 0.442 CV 1 ASSI { 1313} (( segid " " and resid 28 and name HB1 )) ( segid " " and resid 28 and name HD2%) 2.400 0.700 0.700 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.58682E-02 ppm1 1.737 ppm2 0.906 CV 1 ASSI { 1314} (( segid " " and resid 28 and name HB1 )) ( segid " " and resid 28 and name HD1%) 3.500 1.500 1.500 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.25861E-02 ppm1 1.736 ppm2 0.811 CV 1 ASSI { 1315} (( segid " " and resid 28 and name HB2 )) ( segid " " and resid 28 and name HD2%) 2.900 1.100 1.100 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.44926E-02 ppm1 1.469 ppm2 0.909 CV 1 ASSI { 1320} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HA )) 3.300 1.300 1.300 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.14162E-02 ppm1 1.769 ppm2 3.585 CV 1 ASSI { 1322} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HN )) 2.800 1.000 1.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.29426E-02 ppm1 1.768 ppm2 8.464 CV 1 ASSI { 1323} (( segid " " and resid 28 and name HG )) (( segid " " and resid 29 and name HB2 )) 4.300 2.300 1.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.24722E-03 ppm1 1.767 ppm2 2.589 CV 1 ASSI { 1327} (( segid " " and resid 28 and name HG )) ( segid " " and resid 28 and name HD1%) 2.700 0.900 0.900 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.24939E-02 ppm1 1.768 ppm2 0.813 CV 1 ASSI { 1328} (( segid " " and resid 28 and name HG )) ( segid " " and resid 69 and name HG2%) 4.900 3.000 1.100 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.52214E-03 ppm1 1.776 ppm2 0.665 CV 1 ASSI { 1329} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HB2 )) 2.500 0.800 0.800 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.37081E-02 ppm1 0.811 ppm2 1.476 CV 1 ASSI { 1330} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HG )) 2.500 0.800 0.800 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.66320E-02 ppm1 0.810 ppm2 1.755 CV 1 OR { 1330} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HB1 )) ASSI { 1331} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 70 and name HA1 )) 2.500 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.35274E-02 ppm1 0.811 ppm2 4.011 CV 1 ASSI { 1332} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 70 and name HA2 )) 3.000 1.100 1.100 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.57116E-02 ppm1 0.811 ppm2 3.792 CV 1 ASSI { 1340} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 73 and name HB )) 4.100 2.100 1.900 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.18427E-02 ppm1 0.812 ppm2 4.188 CV 1 ASSI { 1341} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 28 and name HA )) 4.600 2.700 1.400 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.52511E-03 ppm1 0.905 ppm2 3.591 CV 1 ASSI { 1342} ( segid " " and resid 28 and name HD2%) (( segid " " and resid 70 and name HA2 )) 4.700 2.700 1.300 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.53585E-03 ppm1 0.908 ppm2 3.802 CV 1 ASSI { 1344} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 30 and name HN )) 4.700 2.700 1.300 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.33399E-03 ppm1 0.807 ppm2 7.513 CV 1 ASSI { 1351} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 69 and name HN )) 6.000 4.600 0.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.14109E-03 ppm1 0.810 ppm2 8.101 CV 1 ASSI { 1352} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 74 and name HN )) 5.500 3.700 0.500 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.18030E-03 ppm1 0.813 ppm2 8.043 CV 1 ASSI { 1354} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 73 and name HN )) 5.200 3.400 0.800 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.42283E-03 ppm1 0.811 ppm2 8.660 CV 1 ASSI { 1357} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HN )) 4.500 2.500 1.500 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.80146E-03 ppm1 0.809 ppm2 8.459 CV 1 ASSI { 1359} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.12284E-02 ppm1 0.811 ppm2 9.402 CV 1 ASSI { 1360} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HN )) 5.300 3.600 0.700 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.10748E-03 ppm1 3.589 ppm2 6.355 CV 1 ASSI { 1363} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 28 and name HG )) 5.000 3.100 1.000 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.17971E-03 ppm1 2.788 ppm2 1.765 CV 1 ASSI { 1364} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 28 and name HB1 )) 5.100 3.300 0.900 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.26156E-03 ppm1 2.605 ppm2 1.732 CV 1 ASSI { 1367} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.600 0.900 0.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.16739E-02 ppm1 1.382 ppm2 7.500 CV 1 ASSI { 1369} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.74875E-03 ppm1 1.387 ppm2 6.352 CV 1 ASSI { 1371} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.400 2.500 1.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.79406E-03 ppm1 4.401 ppm2 3.860 CV 1 ASSI { 1373} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HE2 )) 4.800 2.900 1.200 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.49775E-03 ppm1 4.401 ppm2 2.951 CV 1 ASSI { 1375} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 2.500 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.22825E-02 ppm1 4.403 ppm2 2.055 CV 1 ASSI { 1376} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG1 )) 3.200 1.200 1.200 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.16367E-02 ppm1 4.404 ppm2 1.803 CV 1 ASSI { 1379} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.600 0.800 0.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.46007E-02 ppm1 4.401 ppm2 1.368 CV 1 OR { 1379} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HG2 )) ASSI { 1380} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HN )) 2.000 0.500 0.500 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.88291E-02 ppm1 4.401 ppm2 10.163 CV 1 ASSI { 1384} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HA )) 5.000 3.100 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.22159E-03 ppm1 4.403 ppm2 4.923 CV 1 ASSI { 1397} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HG1 )) 2.500 0.800 0.800 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.38172E-02 ppm1 1.386 ppm2 1.806 CV 1 ASSI { 1399} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HB2 )) 1.600 0.300 0.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.11213E-01 ppm1 2.055 ppm2 1.373 CV 1 OR { 1399} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HG2 )) ASSI { 1400} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HG1 )) 2.200 0.600 0.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.38134E-02 ppm1 2.056 ppm2 1.801 CV 1 ASSI { 1403} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 69 and name HG1%) 4.100 2.100 1.900 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.17595E-02 ppm1 2.056 ppm2 0.440 CV 1 ASSI { 1404} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) 4.300 2.300 1.700 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.58628E-03 ppm1 2.057 ppm2 10.162 CV 1 ASSI { 1405} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 36 and name HD2%) 3.200 1.300 1.300 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 1.379 ppm2 0.767 CV 1 ASSI { 1407} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 4.200 2.200 1.800 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.85354E-03 ppm1 1.385 ppm2 10.159 CV 1 ASSI { 1426} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 31 and name HN )) 5.500 3.800 0.500 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.31340E-03 ppm1 1.349 ppm2 10.162 CV 1 ASSI { 1427} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.000 1.100 1.100 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.28164E-02 ppm1 4.099 ppm2 10.168 CV 1 ASSI { 1428} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.400 0.700 0.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.42093E-02 ppm1 3.863 ppm2 10.161 CV 1 ASSI { 1429} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.700 0.900 0.900 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 4.918 ppm2 10.171 CV 1 ASSI { 1430} (( segid " " and resid 31 and name HA )) ( segid " " and resid 68 and name HG2%) 2.300 0.700 0.700 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.37214E-02 ppm1 4.914 ppm2 1.059 CV 1 ASSI { 1432} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 68 and name HG2%) 3.800 1.800 1.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.75770E-03 ppm1 3.862 ppm2 1.062 CV 1 ASSI { 1435} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 35 and name HB1 )) 4.500 2.500 1.500 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.84668E-03 ppm1 3.861 ppm2 3.055 CV 1 ASSI { 1436} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 2.700 0.900 0.900 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.17581E-02 ppm1 3.862 ppm2 2.770 CV 1 ASSI { 1437} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 34 and name HB2 )) 3.500 3.500 2.500 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.29126E-02 ppm1 3.863 ppm2 2.445 CV 1 ASSI { 1439} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 3.500 1.500 1.500 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.19149E-02 ppm1 4.099 ppm2 2.439 CV 1 ASSI { 1449} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) 3.000 1.100 1.100 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.11919E-02 ppm1 3.864 ppm2 4.915 CV 1 ASSI { 1456} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB1 )) 2.200 0.600 0.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.64506E-02 ppm1 4.088 ppm2 3.162 CV 1 OR { 1456} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) ASSI { 1459} (( segid " " and resid 31 and name HA )) (( segid " " and resid 68 and name HA )) 1.800 0.400 0.400 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.68841E-02 ppm1 4.917 ppm2 5.246 CV 1 ASSI { 1460} (( segid " " and resid 31 and name HA )) ( segid " " and resid 32 and name HD% ) 4.300 2.400 1.700 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.68174E-03 ppm1 4.921 ppm2 7.175 CV 1 ASSI { 1462} (( segid " " and resid 32 and name HA )) (( segid " " and resid 37 and name HN )) 4.000 2.000 2.000 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.64237E-03 ppm1 4.088 ppm2 7.328 CV 1 ASSI { 1464} (( segid " " and resid 32 and name HA )) ( segid " " and resid 32 and name HD% ) 2.500 0.800 0.800 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.42508E-02 ppm1 4.088 ppm2 7.188 CV 1 ASSI { 1465} (( segid " " and resid 32 and name HA )) ( segid " " and resid 32 and name HE% ) 4.000 2.000 2.000 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.67562E-03 ppm1 4.089 ppm2 6.989 CV 1 ASSI { 1467} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 2.100 0.500 0.500 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.54051E-02 ppm1 4.916 ppm2 8.223 CV 1 ASSI { 1468} (( segid " " and resid 31 and name HA )) (( segid " " and resid 69 and name HN )) 3.400 1.500 1.500 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.12139E-02 ppm1 4.916 ppm2 8.128 CV 1 ASSI { 1474} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 35 and name HN )) 3.000 1.100 1.100 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.18521E-02 ppm1 3.863 ppm2 7.721 CV 1 ASSI { 1475} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 33 and name HN )) 4.500 2.500 1.500 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.30858E-03 ppm1 3.863 ppm2 8.653 CV 1 ASSI { 1483} (( segid " " and resid 32 and name HA )) (( segid " " and resid 38 and name HB )) 3.600 1.600 1.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.69819E-03 ppm1 4.081 ppm2 1.893 CV 1 ASSI { 1491} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 31 and name HA )) 4.900 3.000 1.100 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.39111E-03 ppm1 3.173 ppm2 4.912 CV 1 OR { 1491} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 31 and name HA )) ASSI { 1494} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 68 and name HA )) 4.900 3.000 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.24977E-03 ppm1 3.164 ppm2 5.250 CV 1 OR { 1494} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 68 and name HA )) ASSI { 1495} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 37 and name HN )) 4.700 2.700 1.300 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.48514E-03 ppm1 3.159 ppm2 7.300 CV 1 OR { 1495} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 37 and name HN )) ASSI { 1496} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 32 and name HD% ) 2.100 0.500 0.500 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.75437E-02 ppm1 3.164 ppm2 7.191 CV 1 OR { 1496} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 32 and name HD% ) ASSI { 1523} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 32 and name HD% ) 2.200 0.600 0.600 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.39489E-02 ppm1 6.987 ppm2 7.190 CV 1 ASSI { 1542} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 32 and name HE% ) 2.200 0.600 0.600 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.50154E-02 ppm1 6.850 ppm2 6.985 CV 1 ASSI { 1543} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 32 and name HD% ) 4.100 2.100 1.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.60162E-03 ppm1 6.850 ppm2 7.192 CV 1 ASSI { 1548} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 69 and name HG1%) 3.600 1.600 1.600 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.66987E-03 ppm1 6.853 ppm2 0.443 CV 1 ASSI { 1554} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 3.600 1.600 1.600 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.46432E-03 ppm1 4.493 ppm2 7.982 CV 1 ASSI { 1556} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.900 1.000 1.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.22163E-02 ppm1 4.488 ppm2 8.649 CV 1 ASSI { 1559} (( segid " " and resid 33 and name HA )) (( segid " " and resid 37 and name HN )) 3.700 1.700 1.700 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.93461E-03 ppm1 4.489 ppm2 7.349 CV 1 ASSI { 1562} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB )) 2.300 0.700 0.700 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.62469E-02 ppm1 4.488 ppm2 4.167 CV 1 ASSI { 1563} (( segid " " and resid 33 and name HA )) (( segid " " and resid 32 and name HB1 )) 4.100 2.100 1.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.10053E-02 ppm1 4.489 ppm2 3.168 CV 1 OR { 1563} (( segid " " and resid 33 and name HA )) (( segid " " and resid 32 and name HB2 )) ASSI { 1570} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HN )) 3.200 1.300 1.300 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.29804E-02 ppm1 4.170 ppm2 8.648 CV 1 ASSI { 1572} (( segid " " and resid 33 and name HA )) (( segid " " and resid 38 and name HB )) 4.000 2.000 2.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.11328E-02 ppm1 4.490 ppm2 1.887 CV 1 ASSI { 1573} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) 2.500 0.800 0.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.85244E-02 ppm1 4.488 ppm2 1.274 CV 1 ASSI { 1574} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG2%) 3.200 1.300 1.300 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.88341E-03 ppm1 4.487 ppm2 0.932 CV 1 OR { 1574} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG1%) ASSI { 1575} (( segid " " and resid 33 and name HB )) ( segid " " and resid 33 and name HG2%) 2.200 0.600 0.600 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.10759E-01 ppm1 4.169 ppm2 1.275 CV 1 ASSI { 1576} (( segid " " and resid 33 and name HB )) ( segid " " and resid 38 and name HG2%) 4.800 2.900 1.200 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.28513E-03 ppm1 4.161 ppm2 0.902 CV 1 OR { 1576} (( segid " " and resid 33 and name HB )) ( segid " " and resid 38 and name HG1%) ASSI { 1577} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 38 and name HB )) 4.600 2.600 1.400 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.73249E-03 ppm1 1.275 ppm2 1.870 CV 1 ASSI { 1579} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H43A)) 3.000 1.100 1.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.16159E-02 ppm1 1.277 ppm2 2.809 CV 1 OR { 1579} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H43B)) ASSI { 1580} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H38A)) 3.800 1.800 1.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.77049E-03 ppm1 1.277 ppm2 2.460 CV 1 OR { 1580} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H38B)) ASSI { 1585} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H28A)) 5.700 4.100 0.300 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.11895E-03 ppm1 1.280 ppm2 3.745 CV 1 ASSI { 1586} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H37B)) 4.700 2.700 1.300 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.44806E-03 ppm1 1.278 ppm2 3.477 CV 1 OR { 1586} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H37A)) ASSI { 1587} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HA )) 4.400 2.400 1.600 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.75601E-03 ppm1 1.277 ppm2 4.615 CV 1 ASSI { 1592} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HN )) 4.700 2.800 1.300 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.47656E-03 ppm1 1.275 ppm2 7.984 CV 1 ASSI { 1593} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 37 and name HN )) 5.900 4.300 0.100 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.19858E-03 ppm1 1.274 ppm2 7.342 CV 1 ASSI { 1594} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 32 and name HD% ) 5.600 3.900 0.400 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.25310E-03 ppm1 1.279 ppm2 7.191 CV 1 ASSI { 1596} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 1.600 0.300 0.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.19023E-01 ppm1 2.446 ppm2 2.772 CV 1 ASSI { 1597} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) 2.700 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.38973E-02 ppm1 4.616 ppm2 2.445 CV 1 ASSI { 1598} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.700 0.900 0.900 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.62245E-02 ppm1 4.616 ppm2 2.772 CV 1 ASSI { 1599} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 31 and name HB1 )) 3.200 1.300 1.300 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.82476E-03 ppm1 2.775 ppm2 4.096 CV 1 ASSI { 1603} (( segid " " and resid 34 and name HA )) (( segid " " and resid 31 and name HB2 )) 5.500 3.800 0.500 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.38393E-03 ppm1 4.624 ppm2 3.842 CV 1 ASSI { 1604} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HA )) 5.100 3.300 0.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.13790E-03 ppm1 2.783 ppm2 5.023 CV 1 ASSI { 1605} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HA )) 5.900 4.300 0.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.21466E-03 ppm1 2.446 ppm2 5.013 CV 1 ASSI { 1609} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.100 1.200 1.200 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.94284E-03 ppm1 2.774 ppm2 7.723 CV 1 ASSI { 1611} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) 3.900 1.900 1.900 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.11059E-02 ppm1 2.447 ppm2 7.721 CV 1 ASSI { 1612} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 4.000 2.000 2.000 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.61327E-03 ppm1 4.612 ppm2 7.725 CV 1 ASSI { 1613} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.200 1.300 1.300 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.12057E-02 ppm1 2.716 ppm2 7.444 CV 1 ASSI { 1614} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 37 and name HN )) 5.800 4.200 0.200 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.22553E-03 ppm1 2.715 ppm2 7.330 CV 1 ASSI { 1616} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 37 and name HN )) 5.400 3.600 0.600 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.27546E-03 ppm1 3.041 ppm2 7.339 CV 1 ASSI { 1620} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.16333E-02 ppm1 2.715 ppm2 10.163 CV 1 ASSI { 1630} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HB2 )) 3.500 1.500 1.500 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.21579E-02 ppm1 3.049 ppm2 1.372 CV 1 OR { 1630} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HG2 )) ASSI { 1631} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HD1 )) 3.900 1.900 1.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.88661E-03 ppm1 3.043 ppm2 1.562 CV 1 ASSI { 1634} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HB2 )) 4.100 2.100 1.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.20095E-02 ppm1 2.717 ppm2 1.373 CV 1 OR { 1634} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HG2 )) ASSI { 1635} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HB1 )) 2.600 0.900 0.900 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.85751E-03 ppm1 3.052 ppm2 2.053 CV 1 ASSI { 1636} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HG1 )) 3.700 1.700 1.700 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.45063E-03 ppm1 3.049 ppm2 1.797 CV 1 ASSI { 1637} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 3.900 1.900 1.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.75656E-03 ppm1 2.718 ppm2 2.051 CV 1 ASSI { 1638} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HG1 )) 4.800 2.900 1.200 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.51598E-03 ppm1 2.721 ppm2 1.803 CV 1 ASSI { 1641} (( segid " " and resid 35 and name HA )) (( segid " " and resid 30 and name HB2 )) 6.000 6.000 0.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.35952E-04 ppm1 5.020 ppm2 1.363 CV 1 OR { 1641} (( segid " " and resid 35 and name HA )) (( segid " " and resid 30 and name HG2 )) ASSI { 1645} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 1.600 0.300 0.600 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.12529E-01 ppm1 3.053 ppm2 2.715 CV 1 ASSI { 1647} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.700 0.900 0.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.32308E-02 ppm1 5.022 ppm2 3.051 CV 1 ASSI { 1648} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.400 0.700 0.700 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.67658E-02 ppm1 5.025 ppm2 2.716 CV 1 ASSI { 1650} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 32 and name HA )) 4.900 3.000 1.100 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.30910E-03 ppm1 3.052 ppm2 4.085 CV 1 ASSI { 1652} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 26 and name HA )) 5.900 4.400 0.100 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.23369E-03 ppm1 3.044 ppm2 3.521 CV 1 ASSI { 1655} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 32 and name HA )) 4.900 3.000 1.100 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.25004E-03 ppm1 2.718 ppm2 4.085 CV 1 ASSI { 1656} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 31 and name HB2 )) 3.500 1.600 1.600 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.41639E-03 ppm1 2.712 ppm2 3.858 CV 1 ASSI { 1657} (( segid " " and resid 35 and name HA )) (( segid " " and resid 31 and name HB2 )) 5.400 3.700 0.600 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.16746E-03 ppm1 5.030 ppm2 3.862 CV 1 ASSI { 1662} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HN )) 3.700 1.700 1.700 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.91077E-03 ppm1 5.019 ppm2 7.453 CV 1 ASSI { 1663} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.900 1.100 1.100 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.21480E-02 ppm1 5.022 ppm2 7.718 CV 1 ASSI { 1664} (( segid " " and resid 35 and name HA )) (( segid " " and resid 37 and name HN )) 5.100 3.300 0.900 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.22853E-03 ppm1 5.022 ppm2 7.339 CV 1 ASSI { 1668} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD2%) 2.000 0.500 0.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.99358E-02 ppm1 4.391 ppm2 0.773 CV 1 ASSI { 1671} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 32 and name HA )) 3.100 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.35648E-02 ppm1 2.302 ppm2 4.090 CV 1 ASSI { 1672} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 32 and name HA )) 2.300 0.700 0.700 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.19874E-02 ppm1 1.622 ppm2 4.088 CV 1 ASSI { 1674} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.25403E-02 ppm1 4.389 ppm2 7.447 CV 1 ASSI { 1678} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 32 and name HD% ) 4.200 2.200 1.800 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.52096E-03 ppm1 2.295 ppm2 7.187 CV 1 ASSI { 1680} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.400 0.700 0.700 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.51657E-03 ppm1 1.618 ppm2 7.344 CV 1 ASSI { 1681} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 32 and name HD% ) 3.800 1.800 1.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.41153E-03 ppm1 1.619 ppm2 7.182 CV 1 ASSI { 1687} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HN )) 2.600 0.900 0.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.43915E-02 ppm1 4.396 ppm2 8.088 CV 1 ASSI { 1690} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HN )) 2.000 2.000 4.000 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.12498E-01 ppm1 4.396 ppm2 7.347 CV 1 ASSI { 1691} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 32 and name HB1 )) 5.300 3.500 0.700 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.38016E-03 ppm1 2.308 ppm2 3.160 CV 1 OR { 1691} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 32 and name HB2 )) ASSI { 1694} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 4.700 2.700 1.300 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.28596E-03 ppm1 1.622 ppm2 3.153 CV 1 OR { 1694} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 32 and name HB2 )) ASSI { 1697} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 36 and name HD2%) 2.600 0.800 0.800 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.20897E-02 ppm1 2.301 ppm2 0.773 CV 1 ASSI { 1698} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 36 and name HD1%) 2.300 0.700 0.700 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.36265E-02 ppm1 2.300 ppm2 0.602 CV 1 ASSI { 1700} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 36 and name HD1%) 2.300 0.700 0.700 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.37390E-02 ppm1 1.622 ppm2 0.600 CV 1 ASSI { 1702} (( segid " " and resid 36 and name HG )) (( segid " " and resid 32 and name HA )) 2.900 1.100 1.100 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.85664E-03 ppm1 1.475 ppm2 4.086 CV 1 ASSI { 1703} (( segid " " and resid 36 and name HG )) (( segid " " and resid 36 and name HA )) 3.300 1.400 1.400 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 1.472 ppm2 4.391 CV 1 ASSI { 1704} (( segid " " and resid 36 and name HG )) (( segid " " and resid 35 and name HB1 )) 3.200 1.300 1.300 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.88135E-03 ppm1 1.473 ppm2 3.044 CV 1 ASSI { 1708} (( segid " " and resid 36 and name HG )) (( segid " " and resid 30 and name HB1 )) 3.200 1.300 1.300 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.36931E-03 ppm1 1.467 ppm2 2.050 CV 1 ASSI { 1710} (( segid " " and resid 36 and name HG )) ( segid " " and resid 36 and name HD2%) 2.400 0.700 0.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.25692E-02 ppm1 1.466 ppm2 0.768 CV 1 ASSI { 1713} (( segid " " and resid 36 and name HG )) (( segid " " and resid 37 and name HN )) 4.800 2.900 1.200 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.36042E-03 ppm1 1.479 ppm2 7.337 CV 1 ASSI { 1715} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.15271E-02 ppm1 0.604 ppm2 2.049 CV 1 ASSI { 1716} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HG1 )) 4.800 2.900 1.200 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.38893E-03 ppm1 0.606 ppm2 1.808 CV 1 ASSI { 1722} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 38 and name HB )) 4.600 2.600 1.400 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.23233E-03 ppm1 0.598 ppm2 1.890 CV 1 ASSI { 1730} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 26 and name HA )) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.12783E-02 ppm1 0.606 ppm2 3.547 CV 1 ASSI { 1731} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 32 and name HB1 )) 4.600 2.600 1.400 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.33341E-03 ppm1 0.608 ppm2 3.191 CV 1 OR { 1731} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 32 and name HB2 )) ASSI { 1733} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 25 and name HB1 )) 4.600 2.600 1.400 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.42254E-03 ppm1 0.601 ppm2 2.713 CV 1 ASSI { 1736} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 32 and name HA )) 2.300 0.600 0.600 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.37880E-02 ppm1 0.602 ppm2 4.086 CV 1 ASSI { 1737} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HN )) 4.000 2.000 2.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 0.600 ppm2 7.449 CV 1 ASSI { 1738} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 37 and name HN )) 4.900 3.000 1.100 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.40185E-03 ppm1 0.601 ppm2 7.328 CV 1 ASSI { 1739} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 32 and name HE% ) 3.100 1.200 1.200 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.79393E-03 ppm1 0.602 ppm2 6.985 CV 1 ASSI { 1740} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 27 and name HN )) 4.400 2.400 1.600 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.46121E-03 ppm1 0.598 ppm2 6.346 CV 1 ASSI { 1742} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 32 and name HD% ) 2.600 0.800 0.800 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.18150E-02 ppm1 0.601 ppm2 7.193 CV 1 ASSI { 1747} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 32 and name HA )) 4.400 2.400 1.600 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.78374E-03 ppm1 0.772 ppm2 4.085 CV 1 ASSI { 1748} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 26 and name HA )) 2.500 0.800 0.800 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.26405E-02 ppm1 0.774 ppm2 3.538 CV 1 ASSI { 1749} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 35 and name HB1 )) 2.900 1.100 1.100 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.15205E-02 ppm1 0.774 ppm2 3.047 CV 1 ASSI { 1750} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 25 and name HB1 )) 2.400 0.700 0.700 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 0.774 ppm2 2.703 CV 1 ASSI { 1751} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HB1 )) 2.400 0.700 0.700 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 0.773 ppm2 2.054 CV 1 ASSI { 1753} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HG1 )) 2.900 1.000 1.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.17263E-02 ppm1 0.774 ppm2 1.807 CV 1 ASSI { 1754} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 25 and name HB2 )) 3.900 1.900 1.900 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.14447E-02 ppm1 0.775 ppm2 2.596 CV 1 ASSI { 1756} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.49282E-02 ppm1 0.774 ppm2 1.605 CV 1 ASSI { 1759} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 21 and name HG2%) 2.400 0.700 0.700 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.38116E-02 ppm1 0.774 ppm2 1.032 CV 1 ASSI { 1762} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 27 and name HN )) 3.500 1.500 1.500 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.87268E-03 ppm1 0.774 ppm2 6.349 CV 1 ASSI { 1763} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 35 and name HA )) 3.500 1.500 1.500 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.26483E-03 ppm1 0.775 ppm2 5.034 CV 1 ASSI { 1767} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HN )) 3.400 1.400 1.400 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 0.774 ppm2 7.455 CV 1 ASSI { 1768} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 37 and name HN )) 3.200 1.300 1.300 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.38811E-03 ppm1 0.776 ppm2 7.342 CV 1 ASSI { 1769} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 32 and name HD% ) 5.900 4.400 0.100 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.17893E-03 ppm1 0.772 ppm2 7.185 CV 1 ASSI { 1771} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.200 1.200 1.200 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 2.464 ppm2 7.346 CV 1 ASSI { 1773} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 5.000 3.100 1.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.32890E-03 ppm1 2.469 ppm2 8.080 CV 1 ASSI { 1774} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.600 0.800 0.800 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.48469E-02 ppm1 4.396 ppm2 2.462 CV 1 ASSI { 1777} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 2.900 1.100 1.100 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.42936E-02 ppm1 3.090 ppm2 4.394 CV 1 ASSI { 1779} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 19 and name HB% ) 5.400 3.600 0.600 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.27995E-03 ppm1 2.463 ppm2 1.544 CV 1 ASSI { 1780} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 19 and name HB% ) 4.400 2.400 1.600 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.36889E-03 ppm1 3.097 ppm2 1.528 CV 1 ASSI { 1782} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HG2%) 5.100 3.300 0.900 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.39382E-03 ppm1 2.463 ppm2 0.940 CV 1 OR { 1782} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HG1%) ASSI { 1784} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 21 and name HD1%) 3.100 1.200 1.200 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.78803E-03 ppm1 3.091 ppm2 0.847 CV 1 ASSI { 1785} (( segid " " and resid 38 and name HB )) (( segid " " and resid 32 and name HB1 )) 2.700 0.900 0.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.30561E-02 ppm1 1.894 ppm2 3.160 CV 1 OR { 1785} (( segid " " and resid 38 and name HB )) (( segid " " and resid 32 and name HB2 )) ASSI { 1788} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) 4.300 2.300 1.700 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.74035E-03 ppm1 1.894 ppm2 8.222 CV 1 ASSI { 1790} (( segid " " and resid 38 and name HB )) ( segid " " and resid 32 and name HD% ) 3.000 1.100 1.100 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.84545E-03 ppm1 1.880 ppm2 7.191 CV 1 ASSI { 1797} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB )) 2.600 0.800 0.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.25187E-02 ppm1 3.959 ppm2 1.893 CV 1 ASSI { 1798} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 2.000 0.500 0.500 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.11657E-01 ppm1 3.959 ppm2 8.224 CV 1 ASSI { 1799} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.600 0.800 0.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.20516E-02 ppm1 3.956 ppm2 8.085 CV 1 ASSI { 1800} (( segid " " and resid 38 and name HB )) ( segid " " and resid 38 and name HG2%) 2.000 0.500 0.500 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.11620E-01 ppm1 1.894 ppm2 0.932 CV 1 OR { 1800} (( segid " " and resid 38 and name HB )) ( segid " " and resid 38 and name HG1%) ASSI { 1804} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 19 and name HA )) 5.000 3.100 1.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.27911E-03 ppm1 0.931 ppm2 4.821 CV 1 OR { 1804} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 19 and name HA )) ASSI { 1805} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HA )) 6.000 4.800 0.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.66653E-04 ppm1 0.927 ppm2 4.662 CV 1 OR { 1805} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 39 and name HA )) ASSI { 1806} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 39 and name HN )) 2.400 0.700 0.700 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.37315E-02 ppm1 0.931 ppm2 8.224 CV 1 OR { 1806} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) ASSI { 1807} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HN )) 4.000 4.000 2.000 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.13207E-03 ppm1 0.929 ppm2 8.941 CV 1 OR { 1807} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 40 and name HN )) ASSI { 1809} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 19 and name HN )) 5.100 3.300 0.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.29230E-03 ppm1 0.936 ppm2 8.528 CV 1 OR { 1809} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 1814} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HN )) 3.400 1.500 1.500 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 2.768 ppm2 8.922 CV 1 ASSI { 1815} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HN )) 2.900 1.000 1.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.21806E-02 ppm1 4.659 ppm2 8.226 CV 1 ASSI { 1818} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HA )) 5.000 3.200 1.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.35210E-03 ppm1 2.768 ppm2 4.152 CV 1 OR { 1818} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HB1 )) OR { 1818} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HB2 )) ASSI { 1824} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB2 )) 2.700 0.900 0.900 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.61747E-02 ppm1 4.660 ppm2 2.764 CV 1 ASSI { 1827} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HA )) 4.300 2.300 1.700 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.56458E-03 ppm1 4.659 ppm2 3.962 CV 1 ASSI { 1830} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 2.600 0.800 0.800 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.42131E-02 ppm1 4.660 ppm2 8.920 CV 1 ASSI { 1831} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 2.500 0.800 0.800 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 4.147 ppm2 8.920 CV 1 ASSI { 1837} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H36A)) 5.200 3.300 0.800 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.22865E-03 ppm1 4.144 ppm2 8.005 CV 1 OR { 1837} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H36A)) ASSI { 1838} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 3.000 1.200 1.200 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.25871E-02 ppm1 4.147 ppm2 8.921 CV 1 OR { 1838} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) ASSI { 1839} (( segid " " and resid 40 and name HA )) (( segid " " and resid 44 and name HN )) 4.800 2.800 1.200 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.21295E-03 ppm1 4.146 ppm2 7.275 CV 1 ASSI { 1841} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HB1 )) 3.300 1.400 1.400 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.27550E-02 ppm1 4.146 ppm2 2.021 CV 1 ASSI { 1842} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.24675E-02 ppm1 4.145 ppm2 1.957 CV 1 ASSI { 1844} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H28B)) 3.900 1.900 1.900 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.70778E-03 ppm1 4.147 ppm2 3.442 CV 1 OR { 1844} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H37B)) ASSI { 1846} (( segid " " and resid 40 and name HA )) (( segid " " and resid 39 and name HB1 )) 4.900 3.000 1.100 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.44378E-03 ppm1 4.144 ppm2 3.099 CV 1 ASSI { 1847} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H28A)) 3.500 1.500 1.500 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 4.144 ppm2 3.724 CV 1 ASSI { 1849} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H28A)) 3.500 1.600 1.600 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.78863E-03 ppm1 4.145 ppm2 3.734 CV 1 OR { 1849} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H28A)) ASSI { 1850} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H28B)) 3.300 1.300 1.300 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.16788E-02 ppm1 4.148 ppm2 3.437 CV 1 OR { 1850} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H28B)) ASSI { 1851} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 39 and name HB1 )) 4.700 2.800 1.300 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.28291E-03 ppm1 4.138 ppm2 3.090 CV 1 OR { 1851} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 39 and name HB1 )) ASSI { 1855} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 4.600 2.700 1.400 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.66713E-03 ppm1 4.152 ppm2 2.009 CV 1 OR { 1855} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 43 and name HB1 )) ASSI { 1856} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HB2 )) 4.100 2.100 1.900 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.73350E-03 ppm1 4.139 ppm2 1.955 CV 1 OR { 1856} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 43 and name HB2 )) ASSI { 1857} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 41 and name HG )) 4.100 2.100 1.900 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.39502E-03 ppm1 4.143 ppm2 1.710 CV 1 OR { 1857} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HG )) ASSI { 1862} (( segid " " and resid 40 and name HA )) (( segid " " and resid 39 and name HA )) 4.800 2.800 1.200 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.47290E-03 ppm1 4.145 ppm2 4.659 CV 1 ASSI { 1866} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HN )) 3.600 1.600 1.600 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.18244E-02 ppm1 1.882 ppm2 8.394 CV 1 ASSI { 1867} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HN )) 3.100 1.200 1.200 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.12455E-02 ppm1 1.635 ppm2 8.397 CV 1 ASSI { 1869} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.600 0.800 0.800 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.25663E-02 ppm1 1.634 ppm2 8.107 CV 1 ASSI { 1870} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 3.300 1.400 1.400 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.12980E-02 ppm1 4.293 ppm2 8.385 CV 1 ASSI { 1871} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.32584E-02 ppm1 4.293 ppm2 8.108 CV 1 ASSI { 1872} (( segid " " and resid 41 and name HA )) (( segid " " and resid 44 and name HN )) 3.400 1.400 1.400 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.12214E-02 ppm1 4.293 ppm2 7.267 CV 1 ASSI { 1873} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HA )) 2.600 0.800 0.800 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.30724E-02 ppm1 1.880 ppm2 4.292 CV 1 ASSI { 1875} (( segid " " and resid 41 and name HA )) (( segid " " and resid 40 and name H28B)) 4.300 2.300 1.700 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.66324E-03 ppm1 4.294 ppm2 3.437 CV 1 ASSI { 1878} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HG )) 3.000 1.100 1.100 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.18280E-02 ppm1 4.293 ppm2 1.733 CV 1 ASSI { 1879} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.53603E-02 ppm1 4.293 ppm2 1.633 CV 1 ASSI { 1884} (( segid " " and resid 41 and name HG )) (( segid " " and resid 41 and name HB1 )) 2.600 0.800 0.800 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.61190E-02 ppm1 1.726 ppm2 1.868 CV 1 ASSI { 1885} (( segid " " and resid 41 and name HG )) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.22831E-02 ppm1 1.726 ppm2 8.112 CV 1 ASSI { 1887} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HG )) 3.400 1.400 1.400 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.84641E-03 ppm1 0.971 ppm2 1.730 CV 1 ASSI { 1888} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HG )) 3.200 1.200 1.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 0.970 ppm2 1.683 CV 1 OR { 1888} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HB2 )) ASSI { 1889} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HB2 )) 3.700 1.700 1.700 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.20309E-02 ppm1 0.966 ppm2 1.635 CV 1 ASSI { 1890} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HB1 )) 2.700 0.900 0.900 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.26179E-02 ppm1 0.969 ppm2 1.885 CV 1 ASSI { 1892} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HA )) 3.300 1.400 1.400 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.14388E-02 ppm1 0.970 ppm2 4.290 CV 1 ASSI { 1893} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.74217E-02 ppm1 0.906 ppm2 4.291 CV 1 ASSI { 1896} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HB1 )) 3.000 1.100 1.100 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.58851E-03 ppm1 0.906 ppm2 4.115 CV 1 OR { 1896} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HB2 )) OR { 1896} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name HA )) ASSI { 1897} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name H28B)) 2.600 2.600 3.400 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 0.905 ppm2 3.434 CV 1 ASSI { 1900} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HA )) 2.300 0.700 0.700 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.67950E-02 ppm1 0.907 ppm2 3.286 CV 1 ASSI { 1905} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HB1 )) 3.700 1.700 1.700 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.12034E-02 ppm1 0.904 ppm2 1.873 CV 1 ASSI { 1908} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.72075E-02 ppm1 0.908 ppm2 7.998 CV 1 ASSI { 1911} (( segid " " and resid 42 and name HA )) (( segid " " and resid 44 and name HN )) 3.500 1.500 1.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.57358E-03 ppm1 4.294 ppm2 7.274 CV 1 ASSI { 1912} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.000 1.100 1.100 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.13908E-02 ppm1 4.292 ppm2 6.987 CV 1 ASSI { 1916} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.19708E-02 ppm1 3.670 ppm2 8.388 CV 1 ASSI { 1917} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 39 and name HN )) 3.800 1.800 1.800 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.63437E-03 ppm1 3.670 ppm2 8.224 CV 1 ASSI { 1918} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB1 )) 2.300 0.700 0.700 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.44990E-02 ppm1 4.293 ppm2 3.992 CV 1 ASSI { 1919} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) 2.800 1.000 1.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.27649E-02 ppm1 4.292 ppm2 3.667 CV 1 ASSI { 1923} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HB2 )) 1.600 0.300 0.600 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.12089E-01 ppm1 3.983 ppm2 3.667 CV 1 ASSI { 1924} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HG1 )) 3.500 1.500 1.500 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.11430E-02 ppm1 4.293 ppm2 2.448 CV 1 ASSI { 1930} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 18 and name HB )) 4.200 2.200 1.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.33580E-03 ppm1 3.666 ppm2 1.636 CV 1 OR { 1930} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 18 and name HG11)) ASSI { 1931} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 19 and name HB% ) 3.300 1.400 1.400 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.74290E-03 ppm1 3.668 ppm2 1.540 CV 1 ASSI { 1938} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.500 0.800 0.800 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.34038E-02 ppm1 3.976 ppm2 8.369 CV 1 ASSI { 1940} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) 2.900 1.000 1.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.25738E-02 ppm1 3.976 ppm2 8.082 CV 1 ASSI { 1941} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HN )) 3.700 1.700 1.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.94279E-03 ppm1 3.975 ppm2 8.002 CV 1 ASSI { 1942} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HN )) 3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.12642E-02 ppm1 3.975 ppm2 7.264 CV 1 ASSI { 1943} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HN )) 4.100 2.100 1.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.63223E-03 ppm1 3.975 ppm2 6.992 CV 1 ASSI { 1953} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HA )) 4.700 2.700 1.300 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.64584E-03 ppm1 3.978 ppm2 3.426 CV 1 ASSI { 1954} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.39201E-02 ppm1 3.975 ppm2 2.024 CV 1 ASSI { 1955} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.400 0.700 0.700 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.39022E-02 ppm1 3.976 ppm2 1.949 CV 1 ASSI { 1958} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HE% ) 4.100 2.100 1.900 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 2.025 ppm2 1.446 CV 1 ASSI { 1959} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HE% ) 2.800 1.000 1.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.12358E-02 ppm1 1.943 ppm2 1.447 CV 1 ASSI { 1962} (( segid " " and resid 43 and name HA )) ( segid " " and resid 44 and name HG2%) 5.100 3.200 0.900 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.34139E-03 ppm1 3.971 ppm2 1.112 CV 1 ASSI { 1966} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HN )) 4.000 2.000 2.000 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 2.294 ppm2 8.368 CV 1 OR { 1966} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HN )) ASSI { 1968} (( segid " " and resid 46 and name HB )) (( segid " " and resid 47 and name HN )) 2.600 0.800 0.800 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.35018E-02 ppm1 2.296 ppm2 7.994 CV 1 ASSI { 1975} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.60601E-02 ppm1 2.218 ppm2 7.267 CV 1 ASSI { 1977} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.600 0.800 0.800 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.36809E-02 ppm1 3.581 ppm2 7.269 CV 1 ASSI { 1978} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HA )) 2.300 0.700 0.700 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.79384E-02 ppm1 1.122 ppm2 3.582 CV 1 ASSI { 1979} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H37B)) 4.200 2.200 1.800 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.58331E-03 ppm1 1.122 ppm2 3.451 CV 1 OR { 1979} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H37A)) ASSI { 1980} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 42 and name HA )) 3.100 3.100 2.900 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.35939E-02 ppm1 1.121 ppm2 4.289 CV 1 ASSI { 1983} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HN )) 2.100 0.600 0.600 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.83536E-02 ppm1 1.121 ppm2 7.268 CV 1 ASSI { 1986} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.17460E-02 ppm1 1.121 ppm2 6.987 CV 1 ASSI { 1987} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 43 and name HN )) 4.200 2.200 1.800 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.59262E-03 ppm1 1.124 ppm2 8.378 CV 1 ASSI { 1991} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HN )) 2.300 0.600 0.600 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.97504E-02 ppm1 1.115 ppm2 7.899 CV 1 ASSI { 1993} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) 4.700 2.700 1.300 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.54553E-03 ppm1 1.117 ppm2 7.713 CV 1 ASSI { 1996} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.300 0.700 0.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.85673E-02 ppm1 1.115 ppm2 3.956 CV 1 ASSI { 2001} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HN )) 3.200 1.200 1.200 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 3.580 ppm2 6.993 CV 1 ASSI { 2002} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HN )) 5.000 3.100 1.000 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.23242E-03 ppm1 3.578 ppm2 8.365 CV 1 ASSI { 2004} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HB )) 2.100 0.600 0.600 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.11909E-01 ppm1 1.121 ppm2 2.219 CV 1 ASSI { 2005} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 43 and name HB2 )) 4.300 2.400 1.700 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.38563E-03 ppm1 1.117 ppm2 1.973 CV 1 OR { 2005} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 43 and name HB1 )) ASSI { 2008} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HN )) 4.100 2.100 1.900 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.19904E-02 ppm1 0.972 ppm2 7.263 CV 1 ASSI { 2011} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.32814E-02 ppm1 4.063 ppm2 6.990 CV 1 ASSI { 2013} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.21144E-02 ppm1 2.159 ppm2 6.989 CV 1 ASSI { 2016} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA )) 4.500 2.500 1.500 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.26609E-03 ppm1 4.072 ppm2 3.586 CV 1 ASSI { 2017} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG1 )) 3.600 1.600 1.600 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 4.064 ppm2 2.443 CV 1 ASSI { 2019} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.600 0.900 0.900 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.61638E-02 ppm1 4.061 ppm2 2.161 CV 1 ASSI { 2020} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB )) 2.600 0.800 0.800 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.44014E-02 ppm1 4.061 ppm2 2.060 CV 1 ASSI { 2026} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 18 and name HD1%) 2.200 0.600 0.600 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.26248E-02 ppm1 2.157 ppm2 0.780 CV 1 ASSI { 2035} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 3.400 1.400 1.400 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.12140E-02 ppm1 4.056 ppm2 8.086 CV 1 ASSI { 2037} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HN )) 3.000 1.100 1.100 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.26681E-02 ppm1 2.452 ppm2 6.989 CV 1 ASSI { 2038} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HN )) 2.900 1.000 1.000 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.28414E-02 ppm1 2.282 ppm2 6.990 CV 1 ASSI { 2039} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 44 and name HN )) 5.200 3.400 0.800 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.25671E-03 ppm1 2.447 ppm2 7.265 CV 1 ASSI { 2040} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HN )) 5.200 3.400 0.800 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.24619E-03 ppm1 2.284 ppm2 7.268 CV 1 ASSI { 2041} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HN )) 5.200 3.300 0.800 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.29653E-03 ppm1 4.062 ppm2 7.278 CV 1 ASSI { 2042} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HN )) 4.000 2.000 2.000 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.13598E-02 ppm1 2.442 ppm2 7.726 CV 1 ASSI { 2052} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 52 and name HB2 )) 2.800 1.000 1.000 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.39758E-02 ppm1 2.441 ppm2 2.044 CV 1 ASSI { 2062} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.20724E-02 ppm1 2.223 ppm2 3.292 CV 1 ASSI { 2063} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HN )) 2.200 0.600 0.600 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.59975E-02 ppm1 2.222 ppm2 7.998 CV 1 ASSI { 2064} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HN )) 2.300 0.700 0.700 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.38978E-02 ppm1 2.222 ppm2 7.896 CV 1 ASSI { 2067} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.400 0.700 0.700 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.41254E-02 ppm1 3.426 ppm2 1.530 CV 1 ASSI { 2071} (( segid " " and resid 46 and name HA )) ( segid " " and resid 14 and name HG2%) 2.000 0.500 0.500 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.68302E-02 ppm1 3.426 ppm2 1.068 CV 1 OR { 2071} (( segid " " and resid 46 and name HA )) (( segid " " and resid 14 and name HG12)) ASSI { 2078} (( segid " " and resid 46 and name HB )) (( segid " " and resid 47 and name HA )) 3.900 1.900 1.900 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.50022E-03 ppm1 2.299 ppm2 3.299 CV 1 ASSI { 2079} (( segid " " and resid 46 and name HB )) (( segid " " and resid 45 and name HN )) 4.900 3.000 1.100 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.43124E-03 ppm1 2.293 ppm2 6.990 CV 1 ASSI { 2081} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.33963E-02 ppm1 3.430 ppm2 8.081 CV 1 ASSI { 2084} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HA )) 2.300 0.700 0.700 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.58554E-02 ppm1 0.671 ppm2 3.424 CV 1 ASSI { 2087} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HA )) 5.300 3.500 0.700 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.24991E-03 ppm1 0.982 ppm2 3.306 CV 1 ASSI { 2088} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HA )) 3.300 1.300 1.300 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 0.673 ppm2 3.296 CV 1 ASSI { 2089} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.18032E-02 ppm1 0.671 ppm2 8.077 CV 1 ASSI { 2090} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HN )) 3.300 1.400 1.400 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.16669E-02 ppm1 0.670 ppm2 8.000 CV 1 ASSI { 2096} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.11881E-02 ppm1 0.982 ppm2 7.984 CV 1 ASSI { 2108} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.700 0.900 0.900 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.29323E-02 ppm1 3.293 ppm2 8.002 CV 1 ASSI { 2116} (( segid " " and resid 47 and name HA )) ( segid " " and resid 14 and name HD1%) 4.900 3.000 1.100 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.23697E-03 ppm1 3.297 ppm2 0.751 CV 1 ASSI { 2119} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 47 and name HB )) 2.100 0.500 0.500 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.10607E-01 ppm1 0.869 ppm2 2.220 CV 1 ASSI { 2125} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 57 and name HG1 )) 5.400 3.600 0.600 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.13664E-03 ppm1 0.869 ppm2 1.381 CV 1 OR { 2125} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 57 and name HG2 )) ASSI { 2126} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HG1 )) 2.500 0.800 0.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.28489E-02 ppm1 0.869 ppm2 2.825 CV 1 ASSI { 2127} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 47 and name HA )) 2.400 0.700 0.700 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.63922E-02 ppm1 0.869 ppm2 3.294 CV 1 ASSI { 2130} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 48 and name HA )) 3.200 1.200 1.200 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.14595E-02 ppm1 0.868 ppm2 3.952 CV 1 ASSI { 2131} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 44 and name HA )) 4.400 2.400 1.600 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.60528E-03 ppm1 0.871 ppm2 3.573 CV 1 ASSI { 2132} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 58 and name HA )) 5.800 4.200 0.200 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.71148E-04 ppm1 0.866 ppm2 4.536 CV 1 ASSI { 2134} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 47 and name HN )) 3.900 1.900 1.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.18331E-02 ppm1 0.869 ppm2 7.998 CV 1 ASSI { 2137} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.42810E-02 ppm1 0.903 ppm2 7.585 CV 1 ASSI { 2146} (( segid " " and resid 48 and name HA )) ( segid " " and resid 47 and name HG1%) 3.100 1.200 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.19764E-02 ppm1 3.952 ppm2 0.873 CV 1 OR { 2146} (( segid " " and resid 48 and name HA )) ( segid " " and resid 47 and name HG2%) ASSI { 2147} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HA )) 4.500 2.500 1.500 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.36626E-03 ppm1 3.956 ppm2 3.286 CV 1 ASSI { 2148} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HG1 )) 3.100 1.200 1.200 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.14833E-02 ppm1 3.953 ppm2 2.820 CV 1 ASSI { 2149} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) 3.500 1.600 1.600 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.35863E-02 ppm1 3.952 ppm2 2.476 CV 1 ASSI { 2150} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HG2 )) 3.900 1.900 1.900 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 3.953 ppm2 2.300 CV 1 ASSI { 2159} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HN )) 5.100 3.200 0.900 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.37676E-03 ppm1 3.959 ppm2 8.005 CV 1 ASSI { 2161} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) 3.800 1.800 1.800 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.81384E-03 ppm1 3.949 ppm2 7.727 CV 1 ASSI { 2164} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H38A)) 3.700 3.700 2.300 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.13990E-02 ppm1 1.117 ppm2 2.455 CV 1 OR { 2164} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H38B)) ASSI { 2166} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) 2.200 0.600 0.600 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.99665E-02 ppm1 1.115 ppm2 2.060 CV 1 ASSI { 2168} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 50 and name HN )) 5.700 4.000 0.300 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.26191E-03 ppm1 1.117 ppm2 8.807 CV 1 ASSI { 2169} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H43B)) 4.600 2.700 1.400 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.45019E-03 ppm1 1.120 ppm2 2.812 CV 1 OR { 2169} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H43A)) ASSI { 2171} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.83042E-03 ppm1 1.533 ppm2 8.188 CV 1 ASSI { 2173} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.70042E-03 ppm1 1.533 ppm2 8.025 CV 1 ASSI { 2174} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.100 0.600 0.600 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.10682E-01 ppm1 1.533 ppm2 7.904 CV 1 ASSI { 2175} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.600 0.800 0.800 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.48624E-02 ppm1 1.532 ppm2 8.812 CV 1 ASSI { 2177} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.100 0.600 0.600 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.12731E-01 ppm1 1.533 ppm2 4.242 CV 1 ASSI { 2183} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HA )) 5.000 3.200 1.000 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.25565E-03 ppm1 1.535 ppm2 3.299 CV 1 ASSI { 2186} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HG11)) 4.200 2.200 1.800 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.15237E-02 ppm1 1.532 ppm2 1.988 CV 1 ASSI { 2187} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 14 and name HG2%) 2.100 0.500 0.500 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.13183E-01 ppm1 1.533 ppm2 1.064 CV 1 OR { 2187} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HG12)) ASSI { 2190} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 14 and name HD1%) 2.200 0.600 0.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.86153E-02 ppm1 1.533 ppm2 0.761 CV 1 ASSI { 2193} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.100 0.600 0.600 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.87249E-02 ppm1 1.499 ppm2 8.819 CV 1 ASSI { 2197} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.800 1.800 1.800 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.18722E-02 ppm1 3.963 ppm2 1.612 CV 1 ASSI { 2198} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HB% ) 2.000 0.500 0.500 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.95261E-02 ppm1 3.964 ppm2 1.500 CV 1 ASSI { 2202} (( segid " " and resid 50 and name HA )) ( segid " " and resid 14 and name HD1%) 2.300 0.700 0.700 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.52511E-02 ppm1 3.969 ppm2 0.749 CV 1 ASSI { 2203} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG2 )) 2.600 0.800 0.800 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.73943E-03 ppm1 3.962 ppm2 0.641 CV 1 ASSI { 2208} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 40 and name H5A )) 3.900 1.900 1.900 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 1.496 ppm2 0.972 CV 1 OR { 2208} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 40 and name H5B )) ASSI { 2211} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 40 and name H6% ) 2.700 0.900 0.900 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.70047E-02 ppm1 1.499 ppm2 0.622 CV 1 ASSI { 2212} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 58 and name HG2%) 4.800 2.800 1.200 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.33825E-03 ppm1 1.502 ppm2 0.341 CV 1 ASSI { 2213} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HG2 )) 3.500 1.500 1.500 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.11623E-02 ppm1 1.500 ppm2 2.299 CV 1 ASSI { 2217} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HA )) 2.500 0.800 0.800 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.34681E-02 ppm1 1.500 ppm2 3.292 CV 1 ASSI { 2218} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HG1 )) 3.700 1.700 1.700 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.59715E-03 ppm1 1.500 ppm2 2.814 CV 1 ASSI { 2220} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HB1 )) 5.000 3.100 1.000 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.46628E-03 ppm1 1.497 ppm2 2.462 CV 1 ASSI { 2225} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.400 1.500 1.500 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.15770E-02 ppm1 3.962 ppm2 8.201 CV 1 ASSI { 2227} (( segid " " and resid 50 and name HA )) (( segid " " and resid 52 and name HN )) 4.600 2.600 1.400 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.23679E-03 ppm1 3.960 ppm2 7.729 CV 1 ASSI { 2228} (( segid " " and resid 50 and name HA )) ( segid " " and resid 54 and name HD% ) 2.900 1.000 1.000 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.28897E-02 ppm1 3.963 ppm2 7.470 CV 1 OR { 2228} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HZ )) ASSI { 2229} (( segid " " and resid 50 and name HA )) ( segid " " and resid 54 and name HE% ) 3.400 1.500 1.500 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.94786E-03 ppm1 3.962 ppm2 7.121 CV 1 ASSI { 2234} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 54 and name HE% ) 3.000 1.100 1.100 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.12735E-02 ppm1 1.498 ppm2 7.129 CV 1 ASSI { 2235} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HN )) 4.300 2.300 1.700 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 1.499 ppm2 7.905 CV 1 ASSI { 2236} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HB1 )) 5.100 3.300 0.900 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.27673E-03 ppm1 3.959 ppm2 3.433 CV 1 ASSI { 2239} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG1 )) 2.900 1.100 1.100 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.30861E-02 ppm1 4.186 ppm2 2.822 CV 1 ASSI { 2240} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.39482E-02 ppm1 4.185 ppm2 2.477 CV 1 ASSI { 2241} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG2 )) 2.300 0.700 0.700 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.47998E-02 ppm1 4.186 ppm2 2.298 CV 1 ASSI { 2242} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.54379E-02 ppm1 4.186 ppm2 2.111 CV 1 ASSI { 2244} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HB2 )) 4.900 3.000 1.100 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.38864E-03 ppm1 4.183 ppm2 1.693 CV 1 OR { 2244} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HB1 )) ASSI { 2252} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HB1 )) 5.300 3.600 0.700 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.25244E-03 ppm1 4.191 ppm2 3.427 CV 1 ASSI { 2257} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 2 and name HA )) 4.400 2.400 1.600 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.50374E-03 ppm1 2.120 ppm2 4.833 CV 1 ASSI { 2262} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) 3.400 1.400 1.400 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.10031E-02 ppm1 4.184 ppm2 7.725 CV 1 ASSI { 2265} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 55 and name HN )) 4.500 2.600 1.500 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.29265E-03 ppm1 2.492 ppm2 7.840 CV 1 ASSI { 2267} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 47 and name HA )) 3.900 1.900 1.900 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.28550E-03 ppm1 2.832 ppm2 3.311 CV 1 ASSI { 2268} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 47 and name HA )) 4.900 3.000 1.100 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.17663E-03 ppm1 2.298 ppm2 3.287 CV 1 ASSI { 2269} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HA )) 3.700 1.700 1.700 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.13181E-02 ppm1 2.827 ppm2 4.736 CV 1 ASSI { 2273} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HA )) 2.400 0.700 0.700 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.20934E-02 ppm1 2.300 ppm2 4.734 CV 1 ASSI { 2281} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HB1 )) 2.600 0.900 0.900 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.46509E-02 ppm1 2.824 ppm2 2.475 CV 1 ASSI { 2290} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 58 and name HD1%) 3.900 1.900 1.900 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 2.825 ppm2 0.574 CV 1 ASSI { 2291} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 58 and name HG2%) 5.700 4.100 0.300 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.24904E-03 ppm1 2.825 ppm2 0.342 CV 1 ASSI { 2292} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HN )) 3.300 1.300 1.300 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.11537E-02 ppm1 2.825 ppm2 9.879 CV 1 ASSI { 2296} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 58 and name HG2%) 5.600 4.000 0.400 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.27970E-03 ppm1 2.289 ppm2 0.340 CV 1 ASSI { 2302} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 52 and name HN )) 4.600 2.700 1.400 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.46189E-03 ppm1 2.826 ppm2 7.727 CV 1 ASSI { 2306} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HN )) 4.800 2.800 1.200 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.18844E-03 ppm1 2.294 ppm2 8.196 CV 1 ASSI { 2310} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.600 0.800 0.800 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.27983E-02 ppm1 2.047 ppm2 7.725 CV 1 ASSI { 2311} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 55 and name HN )) 5.000 3.200 1.000 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.30515E-03 ppm1 2.140 ppm2 7.838 CV 1 ASSI { 2312} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 55 and name HN )) 5.200 3.300 0.800 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.28686E-03 ppm1 2.042 ppm2 7.838 CV 1 ASSI { 2314} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) 3.600 1.600 1.600 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.83129E-03 ppm1 4.114 ppm2 8.210 CV 1 ASSI { 2316} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 2.142 ppm2 4.240 CV 1 ASSI { 2317} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.100 1.200 1.200 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 2.048 ppm2 4.239 CV 1 ASSI { 2319} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.33688E-02 ppm1 2.047 ppm2 4.119 CV 1 ASSI { 2323} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HG2 )) 3.200 1.300 1.300 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.24429E-02 ppm1 4.120 ppm2 2.242 CV 1 ASSI { 2324} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HB1 )) 3.700 3.700 2.300 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.18138E-02 ppm1 4.113 ppm2 1.591 CV 1 ASSI { 2331} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.41823E-02 ppm1 1.609 ppm2 8.204 CV 1 ASSI { 2337} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 54 and name HD% ) 5.100 3.200 0.900 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.45321E-03 ppm1 1.612 ppm2 7.466 CV 1 OR { 2337} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 54 and name HZ )) ASSI { 2338} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 54 and name HE% ) 5.500 3.700 0.500 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.27462E-03 ppm1 1.612 ppm2 7.129 CV 1 ASSI { 2340} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 54 and name HD% ) 4.000 2.000 2.000 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.81686E-03 ppm1 1.086 ppm2 7.470 CV 1 OR { 2340} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HZ )) ASSI { 2341} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 54 and name HE% ) 4.600 2.700 1.400 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.32512E-03 ppm1 1.094 ppm2 7.139 CV 1 ASSI { 2343} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.600 0.900 0.900 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.37114E-02 ppm1 3.915 ppm2 8.203 CV 1 ASSI { 2348} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HD1 )) 3.600 1.600 1.600 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.80822E-03 ppm1 1.090 ppm2 2.882 CV 1 ASSI { 2349} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HD2 )) 3.500 1.500 1.500 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.11347E-02 ppm1 1.087 ppm2 2.711 CV 1 ASSI { 2352} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HD1 )) 4.300 2.300 1.700 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.18124E-02 ppm1 3.915 ppm2 2.880 CV 1 ASSI { 2356} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HB1 )) 1.700 0.400 0.500 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.10756E-01 ppm1 1.087 ppm2 1.606 CV 1 ASSI { 2357} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 50 and name HB% ) 5.000 3.100 1.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.68471E-03 ppm1 1.086 ppm2 1.499 CV 1 ASSI { 2358} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.34880E-02 ppm1 3.913 ppm2 1.087 CV 1 ASSI { 2359} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG2 )) 3.500 1.500 1.500 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.20395E-02 ppm1 3.916 ppm2 0.680 CV 1 ASSI { 2360} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG1 )) 2.900 1.000 1.000 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.38460E-02 ppm1 1.609 ppm2 0.861 CV 1 ASSI { 2362} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HG1 )) 2.200 0.600 0.600 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.53429E-02 ppm1 1.087 ppm2 0.863 CV 1 ASSI { 2365} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HA )) 4.900 3.000 1.100 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.16230E-03 ppm1 1.091 ppm2 4.859 CV 1 ASSI { 2367} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HN )) 5.200 3.400 0.800 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.40699E-03 ppm1 2.880 ppm2 8.195 CV 1 ASSI { 2368} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HN )) 4.800 2.900 1.200 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.41149E-03 ppm1 2.711 ppm2 8.191 CV 1 ASSI { 2369} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 54 and name HZ )) 3.700 1.800 1.800 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.37324E-03 ppm1 2.873 ppm2 7.463 CV 1 OR { 2369} (( segid " " and resid 53 and name HD1 )) ( segid " " and resid 54 and name HD% ) ASSI { 2370} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 54 and name HZ )) 4.400 2.400 1.600 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.45576E-03 ppm1 2.713 ppm2 7.473 CV 1 OR { 2370} (( segid " " and resid 53 and name HD2 )) ( segid " " and resid 54 and name HD% ) ASSI { 2374} (( segid " " and resid 53 and name HD1 )) ( segid " " and resid 54 and name HE% ) 3.200 1.300 1.300 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.63570E-03 ppm1 2.875 ppm2 7.142 CV 1 ASSI { 2375} (( segid " " and resid 53 and name HD2 )) ( segid " " and resid 54 and name HE% ) 3.800 1.800 1.800 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.72472E-03 ppm1 2.708 ppm2 7.136 CV 1 ASSI { 2380} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 10 and name HA1 )) 4.200 2.200 1.800 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.34106E-03 ppm1 2.709 ppm2 4.062 CV 1 ASSI { 2383} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HB1 )) 3.000 1.100 1.100 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.14197E-02 ppm1 2.710 ppm2 1.608 CV 1 ASSI { 2384} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HB1 )) 3.500 1.500 1.500 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.16221E-02 ppm1 2.880 ppm2 1.603 CV 1 ASSI { 2385} (( segid " " and resid 53 and name HD2 )) ( segid " " and resid 50 and name HB% ) 4.700 2.800 1.300 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.24788E-03 ppm1 2.704 ppm2 1.499 CV 1 ASSI { 2386} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HG2 )) 2.700 0.900 0.900 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.24599E-02 ppm1 2.878 ppm2 0.663 CV 1 ASSI { 2387} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HG2 )) 2.400 0.700 0.700 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.27685E-02 ppm1 2.706 ppm2 0.669 CV 1 ASSI { 2392} (( segid " " and resid 53 and name HD1 )) ( segid " " and resid 14 and name HD1%) 3.100 1.200 1.200 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.22569E-02 ppm1 2.880 ppm2 0.737 CV 1 ASSI { 2393} (( segid " " and resid 53 and name HD2 )) ( segid " " and resid 14 and name HD1%) 2.500 0.800 0.800 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 2.706 ppm2 0.731 CV 1 ASSI { 2394} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.74222E-03 ppm1 0.677 ppm2 8.197 CV 1 ASSI { 2395} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 54 and name HD% ) 3.900 1.900 1.900 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.62565E-03 ppm1 0.676 ppm2 7.463 CV 1 OR { 2395} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HZ )) ASSI { 2396} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 54 and name HE% ) 4.000 2.000 2.000 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.62346E-03 ppm1 0.680 ppm2 7.143 CV 1 ASSI { 2398} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HA )) 5.800 4.100 0.200 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.15715E-03 ppm1 0.668 ppm2 4.833 CV 1 ASSI { 2407} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HB1 )) 2.500 0.800 0.800 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.23736E-02 ppm1 0.677 ppm2 1.608 CV 1 ASSI { 2408} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.42873E-02 ppm1 0.678 ppm2 1.081 CV 1 ASSI { 2410} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) 3.600 1.600 1.600 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.17649E-02 ppm1 3.438 ppm2 8.130 CV 1 ASSI { 2411} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.22867E-02 ppm1 2.746 ppm2 8.131 CV 1 ASSI { 2414} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) 3.300 1.400 1.400 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.91927E-03 ppm1 2.745 ppm2 7.839 CV 1 ASSI { 2415} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 52 and name HN )) 3.300 3.300 2.700 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.26854E-02 ppm1 2.744 ppm2 7.734 CV 1 ASSI { 2416} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 63 and name HN )) 5.000 3.100 1.000 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.26260E-03 ppm1 2.751 ppm2 7.574 CV 1 ASSI { 2418} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) 4.200 2.200 1.800 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.75770E-03 ppm1 3.439 ppm2 7.835 CV 1 ASSI { 2420} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 80 and name HE21)) 4.100 2.100 1.900 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.41989E-03 ppm1 3.439 ppm2 7.653 CV 1 ASSI { 2421} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 54 and name HD% ) 2.500 0.800 0.800 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.54475E-02 ppm1 3.440 ppm2 7.470 CV 1 ASSI { 2422} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 54 and name HE% ) 4.600 2.700 1.400 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.50479E-03 ppm1 3.437 ppm2 7.128 CV 1 ASSI { 2424} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.500 0.800 0.800 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.33917E-02 ppm1 3.439 ppm2 4.846 CV 1 ASSI { 2428} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HB1 )) 1.600 0.300 0.600 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.14213E-01 ppm1 2.746 ppm2 3.437 CV 1 ASSI { 2435} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 56 and name HB )) 3.300 1.400 1.400 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.67845E-03 ppm1 3.441 ppm2 2.009 CV 1 ASSI { 2441} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 3.500 1.500 1.500 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.12815E-02 ppm1 4.858 ppm2 2.749 CV 1 ASSI { 2442} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 4.100 2.100 1.900 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.59500E-03 ppm1 3.444 ppm2 2.547 CV 1 ASSI { 2452} (( segid " " and resid 56 and name HB )) (( segid " " and resid 56 and name HN )) 2.900 1.000 1.000 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.14045E-02 ppm1 2.010 ppm2 7.827 CV 1 ASSI { 2454} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB )) 2.500 0.800 0.800 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.47816E-02 ppm1 4.677 ppm2 1.998 CV 1 ASSI { 2457} (( segid " " and resid 56 and name HB )) (( segid " " and resid 51 and name HA )) 4.800 2.900 1.200 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.30148E-03 ppm1 2.017 ppm2 4.180 CV 1 ASSI { 2464} (( segid " " and resid 56 and name HA )) ( segid " " and resid 56 and name HG2%) 2.700 0.900 0.900 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.42723E-02 ppm1 4.679 ppm2 0.959 CV 1 OR { 2464} (( segid " " and resid 56 and name HA )) ( segid " " and resid 56 and name HG1%) ASSI { 2467} (( segid " " and resid 56 and name HB )) ( segid " " and resid 56 and name HG1%) 2.200 0.600 0.600 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.88145E-02 ppm1 2.011 ppm2 0.952 CV 1 OR { 2467} (( segid " " and resid 56 and name HB )) ( segid " " and resid 56 and name HG2%) ASSI { 2472} (( segid " " and resid 56 and name HB )) (( segid " " and resid 81 and name HN )) 4.200 2.200 1.800 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.28492E-03 ppm1 2.005 ppm2 8.301 CV 1 ASSI { 2473} (( segid " " and resid 56 and name HB )) (( segid " " and resid 57 and name HN )) 2.900 1.100 1.100 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.37743E-02 ppm1 2.012 ppm2 8.189 CV 1 ASSI { 2498} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.22368E-02 ppm1 0.976 ppm2 3.506 CV 1 ASSI { 2504} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 56 and name HA )) 3.300 1.300 1.300 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.17021E-02 ppm1 0.931 ppm2 4.681 CV 1 ASSI { 2506} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 80 and name HA )) 3.200 1.200 1.200 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.20135E-02 ppm1 0.931 ppm2 4.413 CV 1 ASSI { 2508} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 0.981 ppm2 4.420 CV 1 ASSI { 2511} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 54 and name HA )) 5.300 3.500 0.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.28319E-03 ppm1 0.932 ppm2 4.824 CV 1 ASSI { 2512} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HA )) 6.000 5.300 0.000 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.60336E-04 ppm1 0.973 ppm2 4.754 CV 1 ASSI { 2515} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 75 and name HE% ) 3.900 1.900 1.900 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.73423E-03 ppm1 0.931 ppm2 6.543 CV 1 ASSI { 2516} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 75 and name HD% ) 4.200 2.200 1.800 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.59450E-03 ppm1 0.975 ppm2 6.802 CV 1 ASSI { 2518} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 75 and name HE% ) 3.700 1.700 1.700 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.79580E-03 ppm1 0.978 ppm2 6.542 CV 1 ASSI { 2519} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 55 and name HN )) 3.500 1.500 1.500 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.27362E-02 ppm1 0.930 ppm2 7.834 CV 1 ASSI { 2522} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 80 and name HE21)) 5.000 3.100 1.000 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.25615E-03 ppm1 0.929 ppm2 7.636 CV 1 ASSI { 2530} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 81 and name HN )) 3.700 1.800 1.800 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.58906E-03 ppm1 0.978 ppm2 8.308 CV 1 ASSI { 2531} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HN )) 3.600 1.600 1.600 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.15034E-02 ppm1 0.978 ppm2 8.189 CV 1 ASSI { 2537} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HN )) 2.600 0.800 0.800 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.48062E-02 ppm1 1.691 ppm2 8.187 CV 1 OR { 2537} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HN )) ASSI { 2540} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HA )) 2.400 0.700 0.700 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.39090E-02 ppm1 1.695 ppm2 4.731 CV 1 OR { 2540} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HA )) ASSI { 2541} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HA )) 4.900 3.000 1.100 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.22093E-03 ppm1 1.683 ppm2 4.544 CV 1 OR { 2541} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 2542} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HD1 )) 4.100 2.100 1.900 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.73706E-03 ppm1 1.692 ppm2 3.791 CV 1 OR { 2542} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HD1 )) OR { 2542} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HD2 )) OR { 2542} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HD2 )) ASSI { 2543} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HE1 )) 4.400 2.400 1.600 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.47943E-03 ppm1 1.696 ppm2 2.949 CV 1 OR { 2543} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HE2 )) OR { 2543} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HE2 )) OR { 2543} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HE1 )) ASSI { 2546} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HG2 )) 2.100 0.600 0.600 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.12349E-01 ppm1 1.690 ppm2 1.363 CV 1 OR { 2546} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HG2 )) OR { 2546} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HG1 )) OR { 2546} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HG1 )) ASSI { 2550} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HN )) 3.700 1.800 1.800 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.15142E-02 ppm1 1.689 ppm2 9.883 CV 1 OR { 2550} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HN )) ASSI { 2552} (( segid " " and resid 57 and name HA )) (( segid " " and resid 51 and name HA )) 2.500 0.800 0.800 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.75761E-02 ppm1 4.726 ppm2 4.176 CV 1 ASSI { 2553} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HA )) 3.200 1.300 1.300 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 1.665 ppm2 4.734 CV 1 OR { 2553} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HA )) ASSI { 2554} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HE1 )) 2.800 1.000 1.000 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.23567E-02 ppm1 1.663 ppm2 2.946 CV 1 OR { 2554} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HE2 )) OR { 2554} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HE1 )) OR { 2554} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HE2 )) ASSI { 2555} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HG2 )) 2.200 0.600 0.600 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.93082E-02 ppm1 1.666 ppm2 1.376 CV 1 OR { 2555} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HG2 )) OR { 2555} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HG1 )) OR { 2555} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HG1 )) ASSI { 2557} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 58 and name HN )) 4.700 2.700 1.300 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.48601E-03 ppm1 1.674 ppm2 9.878 CV 1 OR { 2557} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 58 and name HN )) ASSI { 2558} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HA )) 3.100 1.200 1.200 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.88816E-03 ppm1 1.380 ppm2 4.737 CV 1 OR { 2558} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HA )) ASSI { 2559} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HA )) 3.800 1.800 1.800 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.98742E-03 ppm1 1.339 ppm2 4.736 CV 1 ASSI { 2560} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HN )) 4.500 2.500 1.500 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.78443E-03 ppm1 1.351 ppm2 8.190 CV 1 OR { 2560} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HN )) ASSI { 2562} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 2.700 0.900 0.900 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.28964E-02 ppm1 4.483 ppm2 8.209 CV 1 ASSI { 2567} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HG2 )) 4.500 2.500 1.500 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 4.529 ppm2 1.956 CV 1 OR { 2567} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HG1 )) OR { 2567} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HB2 )) ASSI { 2570} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HD2 )) 2.000 0.500 0.500 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.10642E-01 ppm1 4.522 ppm2 3.804 CV 1 OR { 2570} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HD1 )) ASSI { 2572} (( segid " " and resid 58 and name HB )) (( segid " " and resid 57 and name HA )) 5.300 3.500 0.700 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.28308E-03 ppm1 1.679 ppm2 4.753 CV 1 ASSI { 2573} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.10887E-02 ppm1 1.686 ppm2 4.520 CV 1 ASSI { 2574} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HA )) 4.000 2.000 2.000 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.59285E-03 ppm1 4.526 ppm2 4.738 CV 1 ASSI { 2579} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HD2 )) 5.300 3.500 0.700 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.20249E-03 ppm1 1.679 ppm2 3.799 CV 1 OR { 2579} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HD1 )) ASSI { 2583} (( segid " " and resid 58 and name HA )) ( segid " " and resid 75 and name HE% ) 2.700 0.900 0.900 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.23406E-02 ppm1 4.531 ppm2 6.548 CV 1 ASSI { 2586} (( segid " " and resid 58 and name HB )) (( segid " " and resid 62 and name HB1 )) 4.900 3.000 1.100 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.24846E-03 ppm1 1.681 ppm2 2.456 CV 1 OR { 2586} (( segid " " and resid 58 and name HB )) (( segid " " and resid 62 and name HB2 )) ASSI { 2591} (( segid " " and resid 58 and name HB )) (( segid " " and resid 51 and name HG1 )) 4.200 2.200 1.800 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.59701E-03 ppm1 1.688 ppm2 2.828 CV 1 ASSI { 2593} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) 2.200 0.600 0.600 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.55334E-02 ppm1 1.682 ppm2 0.336 CV 1 ASSI { 2598} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.300 0.600 0.600 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.49200E-02 ppm1 4.528 ppm2 0.336 CV 1 ASSI { 2600} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 57 and name HA )) 3.700 1.700 1.700 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.74121E-03 ppm1 1.540 ppm2 4.735 CV 1 ASSI { 2601} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 58 and name HA )) 2.600 0.800 0.800 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.18066E-02 ppm1 1.538 ppm2 4.523 CV 1 ASSI { 2605} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 59 and name HD2 )) 4.200 2.200 1.800 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.72929E-03 ppm1 1.537 ppm2 3.815 CV 1 OR { 2605} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 59 and name HD1 )) ASSI { 2606} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 75 and name HD% ) 3.900 1.900 1.900 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.58892E-03 ppm1 1.540 ppm2 6.819 CV 1 ASSI { 2610} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 51 and name HG1 )) 4.400 2.500 1.600 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.94489E-03 ppm1 1.537 ppm2 2.815 CV 1 ASSI { 2611} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 62 and name HB2 )) 4.200 2.200 1.800 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.51867E-03 ppm1 1.533 ppm2 2.445 CV 1 OR { 2611} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 62 and name HB1 )) ASSI { 2612} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 51 and name HG2 )) 3.600 1.600 1.600 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 1.536 ppm2 2.296 CV 1 ASSI { 2618} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 58 and name HN )) 2.600 0.800 0.800 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.21949E-02 ppm1 1.538 ppm2 9.879 CV 1 ASSI { 2619} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 58 and name HG2%) 3.000 1.100 1.100 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.23978E-02 ppm1 1.538 ppm2 0.339 CV 1 ASSI { 2621} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 58 and name HG12)) 1.500 0.300 0.700 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.13630E-01 ppm1 1.538 ppm2 0.854 CV 1 ASSI { 2626} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 66 and name HB1 )) 5.700 4.100 0.300 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.24430E-03 ppm1 0.340 ppm2 2.163 CV 1 ASSI { 2628} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HB2 )) 5.000 3.100 1.000 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.31005E-03 ppm1 0.343 ppm2 1.915 CV 1 OR { 2628} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HG2 )) ASSI { 2634} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.14450E-02 ppm1 0.341 ppm2 3.206 CV 1 ASSI { 2646} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 72 and name HA )) 6.000 5.900 0.000 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.80991E-04 ppm1 0.339 ppm2 4.098 CV 1 ASSI { 2652} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 75 and name HD% ) 3.500 1.600 1.600 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.54325E-03 ppm1 0.341 ppm2 6.820 CV 1 ASSI { 2655} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HA )) 3.700 1.700 1.700 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.12030E-02 ppm1 0.573 ppm2 4.523 CV 1 ASSI { 2656} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 57 and name HA )) 4.400 2.400 1.600 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.30609E-03 ppm1 0.576 ppm2 4.735 CV 1 ASSI { 2657} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 59 and name HD2 )) 4.500 2.600 1.500 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.37767E-03 ppm1 0.574 ppm2 3.807 CV 1 ASSI { 2661} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 75 and name HB1 )) 5.300 3.500 0.700 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.43396E-03 ppm1 0.581 ppm2 3.114 CV 1 OR { 2661} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 2667} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 76 and name HA )) 5.100 3.300 0.900 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.30011E-03 ppm1 0.571 ppm2 3.496 CV 1 ASSI { 2669} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HB )) 2.300 0.700 0.700 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.51168E-02 ppm1 0.573 ppm2 1.680 CV 1 ASSI { 2672} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.900 1.000 1.000 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.89250E-02 ppm1 0.573 ppm2 0.342 CV 1 ASSI { 2673} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.53512E-03 ppm1 0.569 ppm2 8.850 CV 1 ASSI { 2675} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 75 and name HD% ) 4.300 2.300 1.700 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 0.574 ppm2 6.820 CV 1 ASSI { 2676} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 75 and name HE% ) 4.400 2.400 1.600 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 0.571 ppm2 6.556 CV 1 ASSI { 2685} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.14573E-02 ppm1 1.937 ppm2 7.523 CV 1 ASSI { 2686} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 62 and name HN )) 4.800 2.900 1.200 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.55394E-03 ppm1 2.385 ppm2 7.518 CV 1 ASSI { 2688} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HN )) 6.000 4.600 0.000 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.87482E-04 ppm1 4.404 ppm2 7.525 CV 1 ASSI { 2689} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) 5.500 3.800 0.500 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.39636E-03 ppm1 2.391 ppm2 4.525 CV 1 ASSI { 2691} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HA )) 5.800 4.200 0.200 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.15243E-03 ppm1 2.382 ppm2 4.192 CV 1 ASSI { 2692} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HD1 )) 3.700 1.700 1.700 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.18157E-02 ppm1 2.387 ppm2 3.807 CV 1 OR { 2692} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HD2 )) ASSI { 2693} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 3.000 1.100 1.100 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.26463E-02 ppm1 1.935 ppm2 4.401 CV 1 ASSI { 2694} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD2 )) 3.200 1.300 1.300 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.25710E-02 ppm1 1.935 ppm2 3.819 CV 1 OR { 2694} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD1 )) ASSI { 2695} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HD1 )) 3.300 1.400 1.400 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.12866E-02 ppm1 4.401 ppm2 3.806 CV 1 OR { 2695} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HD2 )) ASSI { 2698} (( segid " " and resid 59 and name HA )) (( segid " " and resid 61 and name HB2 )) 6.000 4.700 0.000 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.96737E-04 ppm1 4.405 ppm2 2.499 CV 1 ASSI { 2699} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB1 )) 2.100 0.500 0.500 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.81512E-02 ppm1 4.402 ppm2 2.383 CV 1 ASSI { 2701} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.800 1.000 1.000 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.57033E-02 ppm1 4.403 ppm2 1.934 CV 1 OR { 2701} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG2 )) ASSI { 2705} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.83668E-03 ppm1 1.935 ppm2 2.496 CV 1 ASSI { 2710} (( segid " " and resid 59 and name HA )) ( segid " " and resid 58 and name HG2%) 4.300 2.300 1.700 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.40018E-03 ppm1 4.402 ppm2 0.332 CV 1 ASSI { 2711} (( segid " " and resid 59 and name HA )) ( segid " " and resid 47 and name HG1%) 3.600 1.600 1.600 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.52877E-03 ppm1 4.404 ppm2 0.892 CV 1 OR { 2711} (( segid " " and resid 59 and name HA )) ( segid " " and resid 47 and name HG2%) ASSI { 2712} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 58 and name HG2%) 6.000 5.000 0.000 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.10871E-03 ppm1 2.381 ppm2 0.335 CV 1 ASSI { 2713} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 58 and name HG2%) 4.700 2.800 1.300 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.29215E-03 ppm1 1.931 ppm2 0.332 CV 1 ASSI { 2715} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HG2 )) 2.300 0.700 0.700 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.68786E-02 ppm1 3.812 ppm2 1.939 CV 1 OR { 2715} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HG2 )) OR { 2715} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB2 )) OR { 2715} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB2 )) ASSI { 2719} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HG1 )) 3.900 1.900 1.900 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.27036E-03 ppm1 3.801 ppm2 1.350 CV 1 OR { 2719} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HG2 )) OR { 2719} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 57 and name HG1 )) OR { 2719} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 57 and name HG2 )) ASSI { 2722} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 58 and name HD1%) 5.000 3.100 1.000 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.40841E-03 ppm1 3.807 ppm2 0.580 CV 1 OR { 2722} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 58 and name HD1%) ASSI { 2723} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 58 and name HG2%) 3.500 1.600 1.600 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.21522E-02 ppm1 3.814 ppm2 0.342 CV 1 OR { 2723} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 58 and name HG2%) ASSI { 2730} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 75 and name HE% ) 4.300 2.300 1.700 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.74829E-03 ppm1 3.806 ppm2 6.551 CV 1 OR { 2730} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 75 and name HE% ) ASSI { 2732} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 62 and name HN )) 4.800 2.900 1.200 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.30273E-03 ppm1 3.795 ppm2 7.517 CV 1 OR { 2732} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 62 and name HN )) ASSI { 2734} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HD1 )) 2.400 0.700 0.700 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.48898E-02 ppm1 1.994 ppm2 3.807 CV 1 OR { 2734} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HD2 )) ASSI { 2735} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HD2 )) 2.400 0.700 0.700 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.49679E-02 ppm1 1.926 ppm2 3.807 CV 1 OR { 2735} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HD1 )) ASSI { 2736} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 58 and name HA )) 5.000 3.100 1.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.78680E-03 ppm1 1.994 ppm2 4.525 CV 1 ASSI { 2737} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 58 and name HA )) 4.800 2.900 1.200 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.65831E-03 ppm1 1.926 ppm2 4.522 CV 1 ASSI { 2738} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HA )) 3.900 1.900 1.900 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.13731E-02 ppm1 1.925 ppm2 4.402 CV 1 ASSI { 2739} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HA )) 3.300 1.400 1.400 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.13352E-02 ppm1 1.993 ppm2 4.400 CV 1 ASSI { 2744} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 61 and name HB2 )) 5.000 3.100 1.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.36290E-03 ppm1 1.993 ppm2 2.489 CV 1 ASSI { 2745} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 61 and name HB2 )) 4.300 2.300 1.700 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.56472E-03 ppm1 1.923 ppm2 2.489 CV 1 ASSI { 2748} (( segid " " and resid 59 and name HG1 )) ( segid " " and resid 58 and name HG2%) 5.800 4.200 0.200 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.29955E-03 ppm1 1.995 ppm2 0.334 CV 1 ASSI { 2749} (( segid " " and resid 59 and name HG2 )) ( segid " " and resid 58 and name HG2%) 5.600 3.900 0.400 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.22367E-03 ppm1 1.922 ppm2 0.327 CV 1 ASSI { 2751} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB1 )) 2.000 0.500 0.500 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.10741E-01 ppm1 4.199 ppm2 2.611 CV 1 OR { 2751} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB2 )) ASSI { 2754} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HB )) 2.400 0.700 0.700 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.23521E-02 ppm1 4.198 ppm2 2.024 CV 1 ASSI { 2755} (( segid " " and resid 60 and name HA )) ( segid " " and resid 63 and name HG2%) 3.100 1.200 1.200 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.38580E-02 ppm1 4.198 ppm2 0.898 CV 1 ASSI { 2756} (( segid " " and resid 60 and name HA )) ( segid " " and resid 63 and name HG1%) 2.600 0.900 0.900 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.27349E-02 ppm1 4.199 ppm2 0.811 CV 1 ASSI { 2757} (( segid " " and resid 60 and name HA )) ( segid " " and resid 58 and name HG2%) 4.500 2.600 1.500 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.45276E-03 ppm1 4.201 ppm2 0.337 CV 1 ASSI { 2759} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 63 and name HB )) 5.000 3.100 1.000 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.45243E-03 ppm1 2.609 ppm2 2.023 CV 1 OR { 2759} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 63 and name HB )) ASSI { 2761} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 64 and name HE1 )) 4.400 2.400 1.600 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.51287E-03 ppm1 2.616 ppm2 3.008 CV 1 OR { 2761} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 64 and name HE2 )) OR { 2761} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 64 and name HE1 )) OR { 2761} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 64 and name HE2 )) ASSI { 2764} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HA )) 3.800 1.800 1.800 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.14007E-02 ppm1 4.203 ppm2 4.398 CV 1 ASSI { 2768} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.14907E-02 ppm1 4.200 ppm2 7.579 CV 1 ASSI { 2770} (( segid " " and resid 60 and name HA )) (( segid " " and resid 64 and name HN )) 4.900 2.900 1.100 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.27655E-03 ppm1 4.206 ppm2 7.178 CV 1 ASSI { 2772} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 3.300 1.400 1.400 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.12978E-02 ppm1 4.324 ppm2 7.520 CV 1 ASSI { 2773} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.61012E-03 ppm1 4.327 ppm2 7.175 CV 1 ASSI { 2775} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.700 1.700 1.700 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.61473E-03 ppm1 2.487 ppm2 7.523 CV 1 ASSI { 2777} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HN )) 3.400 1.500 1.500 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.23606E-02 ppm1 2.642 ppm2 8.665 CV 1 ASSI { 2778} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HA )) 2.900 1.000 1.000 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.39174E-02 ppm1 2.488 ppm2 4.322 CV 1 ASSI { 2780} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 64 and name HE1 )) 5.300 3.500 0.700 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.22907E-03 ppm1 2.496 ppm2 3.001 CV 1 OR { 2780} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 64 and name HE2 )) ASSI { 2782} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 59 and name HB2 )) 3.700 1.700 1.700 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.48702E-03 ppm1 2.492 ppm2 1.934 CV 1 OR { 2782} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 59 and name HG2 )) ASSI { 2786} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HB1 )) 4.200 2.200 1.800 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.60258E-03 ppm1 4.317 ppm2 1.784 CV 1 OR { 2786} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HB2 )) ASSI { 2787} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HD2 )) 4.300 2.300 1.700 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.11683E-02 ppm1 4.325 ppm2 1.674 CV 1 OR { 2787} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HD1 )) ASSI { 2789} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HG1 )) 3.500 1.500 1.500 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.12793E-02 ppm1 4.323 ppm2 1.398 CV 1 OR { 2789} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HG2 )) ASSI { 2790} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 2.300 0.700 0.700 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.83020E-02 ppm1 4.323 ppm2 2.645 CV 1 ASSI { 2792} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HE1 )) 3.300 1.300 1.300 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.88615E-03 ppm1 4.324 ppm2 3.003 CV 1 OR { 2792} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HE2 )) ASSI { 2793} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 2.500 0.800 0.800 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.42691E-02 ppm1 2.418 ppm2 7.521 CV 1 OR { 2793} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) ASSI { 2794} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.26547E-02 ppm1 4.667 ppm2 7.530 CV 1 ASSI { 2797} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 75 and name HE% ) 3.200 1.200 1.200 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.23460E-02 ppm1 2.420 ppm2 6.549 CV 1 OR { 2797} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 75 and name HE% ) ASSI { 2801} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 58 and name HA )) 3.900 1.900 1.900 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.56060E-03 ppm1 2.416 ppm2 4.527 CV 1 OR { 2801} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 2803} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 3.200 1.300 1.300 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.17558E-02 ppm1 2.415 ppm2 1.951 CV 1 OR { 2803} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 59 and name HG2 )) OR { 2803} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 59 and name HG2 )) OR { 2803} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 59 and name HB2 )) OR { 2803} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 59 and name HG1 )) OR { 2803} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 59 and name HG1 )) ASSI { 2807} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 64 and name HG1 )) 5.300 3.500 0.700 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.24581E-03 ppm1 2.425 ppm2 1.404 CV 1 OR { 2807} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 64 and name HG1 )) OR { 2807} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 64 and name HG2 )) OR { 2807} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 64 and name HG2 )) ASSI { 2808} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.500 0.800 0.800 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.62026E-02 ppm1 4.669 ppm2 2.420 CV 1 OR { 2808} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) ASSI { 2810} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 58 and name HG2%) 2.800 1.000 1.000 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.25809E-02 ppm1 2.418 ppm2 0.333 CV 1 OR { 2810} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 2813} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.400 0.700 0.700 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.36265E-02 ppm1 3.211 ppm2 7.579 CV 1 ASSI { 2814} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HN )) 4.900 3.000 1.100 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.34053E-03 ppm1 3.213 ppm2 7.470 CV 1 ASSI { 2816} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 3.000 1.100 1.100 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.11311E-02 ppm1 3.211 ppm2 7.176 CV 1 ASSI { 2817} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HG1 )) 5.100 3.300 0.900 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.20238E-03 ppm1 3.208 ppm2 1.434 CV 1 OR { 2817} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HG2 )) ASSI { 2818} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H3A )) 5.700 4.100 0.300 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.21223E-03 ppm1 3.213 ppm2 1.199 CV 1 ASSI { 2821} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HB1 )) 4.000 2.000 2.000 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.14444E-02 ppm1 3.211 ppm2 2.154 CV 1 ASSI { 2824} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HG )) 2.200 0.600 0.600 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.47190E-02 ppm1 3.211 ppm2 1.796 CV 1 ASSI { 2826} (( segid " " and resid 63 and name HA )) ( segid " " and resid 66 and name HD2%) 4.100 2.100 1.900 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.18901E-02 ppm1 3.211 ppm2 0.590 CV 1 ASSI { 2827} (( segid " " and resid 63 and name HA )) ( segid " " and resid 66 and name HD1%) 2.100 0.500 0.500 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.52804E-02 ppm1 3.211 ppm2 0.404 CV 1 ASSI { 2834} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HA )) 4.200 2.200 1.800 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.32134E-03 ppm1 3.211 ppm2 3.966 CV 1 ASSI { 2837} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 63 and name HA )) 2.200 0.600 0.600 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.58742E-02 ppm1 0.901 ppm2 3.213 CV 1 ASSI { 2838} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HA )) 2.700 0.900 0.900 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.51091E-02 ppm1 0.817 ppm2 3.204 CV 1 ASSI { 2839} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 44 and name HA )) 3.300 1.400 1.400 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.33964E-03 ppm1 0.815 ppm2 3.569 CV 1 ASSI { 2840} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H37B)) 4.300 2.300 1.700 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.21654E-03 ppm1 0.815 ppm2 3.511 CV 1 OR { 2840} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H37A)) ASSI { 2846} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HN )) 2.900 1.000 1.000 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.15968E-02 ppm1 0.817 ppm2 7.172 CV 1 ASSI { 2849} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HN )) 2.900 1.100 1.100 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.22942E-02 ppm1 0.818 ppm2 7.579 CV 1 ASSI { 2850} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H41A)) 3.800 1.800 1.800 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.30592E-03 ppm1 0.815 ppm2 8.049 CV 1 ASSI { 2851} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H36A)) 4.500 2.600 1.500 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.17507E-03 ppm1 0.813 ppm2 7.992 CV 1 ASSI { 2859} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 62 and name HB1 )) 5.000 3.200 1.000 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.43748E-03 ppm1 0.819 ppm2 2.431 CV 1 OR { 2859} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 62 and name HB2 )) ASSI { 2862} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HE2 )) 5.800 4.200 0.200 peak 2862 spectrum 1 weight 0.10000E+01 volume 0.15502E-03 ppm1 0.823 ppm2 3.000 CV 1 OR { 2862} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HE1 )) ASSI { 2865} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HB )) 2.200 0.600 0.600 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.55448E-02 ppm1 0.816 ppm2 2.018 CV 1 ASSI { 2866} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HG )) 4.600 2.700 1.400 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.52470E-03 ppm1 0.816 ppm2 1.792 CV 1 ASSI { 2868} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HG1 )) 3.600 1.600 1.600 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.15641E-02 ppm1 0.814 ppm2 1.428 CV 1 OR { 2868} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HG2 )) ASSI { 2870} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 66 and name HD1%) 4.400 2.400 1.600 peak 2870 spectrum 1 weight 0.10000E+01 volume 0.89012E-03 ppm1 0.812 ppm2 0.406 CV 1 ASSI { 2872} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 58 and name HG2%) 4.500 2.500 1.500 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.74756E-03 ppm1 0.814 ppm2 0.312 CV 1 ASSI { 2873} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.400 0.700 0.700 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.44256E-02 ppm1 3.976 ppm2 7.174 CV 1 ASSI { 2876} (( segid " " and resid 64 and name HA )) (( segid " " and resid 63 and name HN )) 5.200 3.400 0.800 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.24053E-03 ppm1 3.972 ppm2 7.585 CV 1 ASSI { 2877} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 65 and name HN )) 4.100 2.100 1.900 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.62633E-03 ppm1 1.825 ppm2 7.280 CV 1 ASSI { 2878} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 65 and name HN )) 4.300 2.300 1.700 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.43936E-03 ppm1 1.761 ppm2 7.279 CV 1 ASSI { 2879} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.25225E-02 ppm1 1.818 ppm2 7.175 CV 1 ASSI { 2885} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HE2 )) 3.500 1.500 1.500 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.42710E-03 ppm1 1.774 ppm2 3.004 CV 1 OR { 2885} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HE1 )) OR { 2885} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HE2 )) OR { 2885} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HE1 )) ASSI { 2886} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 40 and name H38B)) 4.300 2.300 1.700 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.22211E-03 ppm1 1.817 ppm2 2.465 CV 1 OR { 2886} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 40 and name H38B)) OR { 2886} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 40 and name H38A)) OR { 2886} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 40 and name H38A)) ASSI { 2887} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG1 )) 2.200 0.600 0.600 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.57719E-02 ppm1 1.822 ppm2 1.400 CV 1 OR { 2887} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG2 )) ASSI { 2888} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG1 )) 2.300 0.700 0.700 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.46308E-02 ppm1 1.766 ppm2 1.403 CV 1 OR { 2888} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG2 )) OR { 2888} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG2 )) OR { 2888} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG1 )) ASSI { 2889} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H37B)) 4.000 2.000 2.000 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.63606E-03 ppm1 3.980 ppm2 3.472 CV 1 OR { 2889} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H37A)) ASSI { 2892} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HE2 )) 6.000 6.000 0.000 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.84728E-04 ppm1 3.980 ppm2 2.982 CV 1 OR { 2892} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HE1 )) ASSI { 2893} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H43B)) 4.300 2.300 1.700 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.44213E-03 ppm1 3.978 ppm2 2.818 CV 1 OR { 2893} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H43A)) ASSI { 2895} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H38B)) 3.400 1.400 1.400 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 3.977 ppm2 2.464 CV 1 OR { 2895} (( segid " " and resid 64 and name HA )) (( segid " " and resid 40 and name H38A)) ASSI { 2896} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG2 )) 3.000 1.100 1.100 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.40683E-02 ppm1 3.976 ppm2 1.401 CV 1 OR { 2896} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG1 )) ASSI { 2897} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB1 )) 2.100 0.500 0.500 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.88779E-02 ppm1 3.976 ppm2 1.803 CV 1 OR { 2897} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB2 )) ASSI { 2898} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HD1 )) 4.600 2.600 1.400 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 3.978 ppm2 1.680 CV 1 OR { 2898} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HD2 )) ASSI { 2899} (( segid " " and resid 64 and name HA )) ( segid " " and resid 63 and name HG1%) 3.100 1.200 1.200 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.18388E-02 ppm1 3.976 ppm2 0.814 CV 1 ASSI { 2900} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HA )) 4.900 3.000 1.100 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.18348E-03 ppm1 3.974 ppm2 4.870 CV 1 ASSI { 2901} (( segid " " and resid 64 and name HE1 )) (( segid " " and resid 64 and name HG1 )) 2.500 0.800 0.800 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.50310E-02 ppm1 3.003 ppm2 1.397 CV 1 OR { 2901} (( segid " " and resid 64 and name HE2 )) (( segid " " and resid 64 and name HG1 )) OR { 2901} (( segid " " and resid 64 and name HE1 )) (( segid " " and resid 64 and name HG2 )) OR { 2901} (( segid " " and resid 64 and name HE2 )) (( segid " " and resid 64 and name HG2 )) ASSI { 2902} (( segid " " and resid 64 and name HE1 )) (( segid " " and resid 64 and name HD2 )) 2.300 0.700 0.700 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.68731E-02 ppm1 3.002 ppm2 1.669 CV 1 OR { 2902} (( segid " " and resid 64 and name HE2 )) (( segid " " and resid 64 and name HD1 )) OR { 2902} (( segid " " and resid 64 and name HE2 )) (( segid " " and resid 64 and name HD2 )) OR { 2902} (( segid " " and resid 64 and name HE1 )) (( segid " " and resid 64 and name HD1 )) ASSI { 2916} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HN )) 3.700 1.700 1.700 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.17735E-02 ppm1 3.055 ppm2 7.264 CV 1 ASSI { 2920} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 2.800 1.000 1.000 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.21419E-02 ppm1 4.885 ppm2 7.269 CV 1 ASSI { 2921} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HA )) 2.700 0.900 0.900 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.31261E-02 ppm1 3.057 ppm2 4.879 CV 1 ASSI { 2923} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 62 and name HA )) 6.000 4.700 0.000 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.24145E-03 ppm1 3.065 ppm2 4.668 CV 1 ASSI { 2924} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HB1 )) 1.600 0.300 0.600 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.20512E-01 ppm1 2.743 ppm2 3.049 CV 1 ASSI { 2927} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HN )) 2.700 0.900 0.900 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.15546E-02 ppm1 0.974 ppm2 7.716 CV 1 ASSI { 2935} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 72 and name HA )) 4.200 2.200 1.800 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.78991E-03 ppm1 0.971 ppm2 4.113 CV 1 ASSI { 2937} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 5.100 3.200 0.900 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.35544E-03 ppm1 2.167 ppm2 2.927 CV 1 ASSI { 2941} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.300 1.300 1.300 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.73477E-03 ppm1 0.970 ppm2 3.198 CV 1 ASSI { 2944} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 71 and name HB2 )) 5.800 4.200 0.200 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.51406E-03 ppm1 0.975 ppm2 2.928 CV 1 ASSI { 2945} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HG )) 2.800 1.000 1.000 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.25840E-02 ppm1 2.165 ppm2 1.803 CV 1 ASSI { 2946} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HG )) 2.700 0.900 0.900 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.12841E-02 ppm1 0.975 ppm2 1.831 CV 1 ASSI { 2948} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 66 and name HD1%) 2.400 0.700 0.700 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.35831E-02 ppm1 2.164 ppm2 0.408 CV 1 ASSI { 2951} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 66 and name HD1%) 2.300 0.700 0.700 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.36299E-02 ppm1 0.972 ppm2 0.406 CV 1 ASSI { 2952} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) 2.500 0.800 0.800 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.91415E-02 ppm1 4.487 ppm2 2.782 CV 1 ASSI { 2953} (( segid " " and resid 66 and name HA )) (( segid " " and resid 72 and name HA )) 5.200 3.300 0.800 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.33868E-03 ppm1 4.475 ppm2 4.119 CV 1 ASSI { 2954} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 67 and name HG2 )) 4.300 2.300 1.700 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.53630E-03 ppm1 2.165 ppm2 1.446 CV 1 ASSI { 2955} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 72 and name HB% ) 2.900 1.100 1.100 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.85171E-03 ppm1 2.156 ppm2 1.592 CV 1 ASSI { 2956} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H3A )) 4.200 2.200 1.800 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.33138E-03 ppm1 2.159 ppm2 1.171 CV 1 OR { 2956} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H3B )) ASSI { 2958} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 74 and name HN )) 5.700 4.100 0.300 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.15985E-03 ppm1 0.409 ppm2 8.069 CV 1 ASSI { 2960} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HN )) 3.600 1.600 1.600 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.21371E-02 ppm1 0.411 ppm2 7.717 CV 1 ASSI { 2961} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 65 and name HN )) 3.300 1.400 1.400 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.35796E-03 ppm1 0.410 ppm2 7.273 CV 1 ASSI { 2965} (( segid " " and resid 66 and name HG )) (( segid " " and resid 66 and name HN )) 2.600 0.800 0.800 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.25741E-02 ppm1 1.798 ppm2 7.715 CV 1 ASSI { 2966} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HG2 )) 1.700 0.400 0.500 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.95558E-02 ppm1 1.805 ppm2 1.352 CV 1 OR { 2966} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HB2 )) ASSI { 2969} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 75 and name HE% ) 5.200 3.300 0.800 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.32098E-03 ppm1 0.410 ppm2 6.552 CV 1 ASSI { 2972} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 71 and name HB2 )) 6.000 4.700 0.000 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.32994E-03 ppm1 0.419 ppm2 2.928 CV 1 ASSI { 2975} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 65 and name HB2 )) 4.900 3.000 1.100 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.20784E-03 ppm1 0.408 ppm2 2.743 CV 1 ASSI { 2976} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 62 and name HB2 )) 3.900 1.900 1.900 peak 2976 spectrum 1 weight 0.10000E+01 volume 0.31869E-03 ppm1 0.416 ppm2 2.449 CV 1 OR { 2976} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 62 and name HB1 )) ASSI { 2979} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 72 and name HB% ) 2.900 1.000 1.000 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.16301E-02 ppm1 0.412 ppm2 1.589 CV 1 ASSI { 2981} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HG )) 1.900 0.400 0.400 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.13389E-01 ppm1 0.411 ppm2 1.795 CV 1 ASSI { 2984} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H3A )) 4.400 2.500 1.600 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.67379E-03 ppm1 0.410 ppm2 1.150 CV 1 OR { 2984} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H3B )) ASSI { 2993} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 71 and name HN )) 5.500 3.800 0.500 peak 2993 spectrum 1 weight 0.10000E+01 volume 0.30540E-03 ppm1 0.600 ppm2 8.333 CV 1 ASSI { 2995} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 74 and name HN )) 5.400 3.700 0.600 peak 2995 spectrum 1 weight 0.10000E+01 volume 0.12571E-03 ppm1 0.601 ppm2 8.063 CV 1 ASSI { 2996} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HN )) 3.700 1.700 1.700 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.90483E-03 ppm1 0.601 ppm2 7.943 CV 1 ASSI { 2998} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 63 and name HN )) 3.200 3.200 2.800 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.41455E-03 ppm1 0.599 ppm2 7.594 CV 1 ASSI { 3000} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 65 and name HN )) 4.700 2.800 1.300 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.24961E-03 ppm1 0.603 ppm2 7.272 CV 1 ASSI { 3003} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 75 and name HD% ) 3.300 1.400 1.400 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.23726E-02 ppm1 0.603 ppm2 6.820 CV 1 ASSI { 3004} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 75 and name HE% ) 4.400 2.500 1.600 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.72285E-03 ppm1 0.605 ppm2 6.548 CV 1 ASSI { 3007} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HA )) 4.900 3.000 1.100 peak 3007 spectrum 1 weight 0.10000E+01 volume 0.61619E-03 ppm1 0.600 ppm2 4.226 CV 1 ASSI { 3008} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 72 and name HA )) 2.200 0.600 0.600 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.39742E-02 ppm1 0.602 ppm2 4.113 CV 1 ASSI { 3010} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 71 and name HB2 )) 3.700 1.700 1.700 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 0.602 ppm2 2.922 CV 1 ASSI { 3011} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 65 and name HB2 )) 3.400 1.500 1.500 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.67827E-03 ppm1 0.602 ppm2 2.741 CV 1 ASSI { 3012} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 62 and name HB2 )) 4.000 2.000 2.000 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.27961E-03 ppm1 0.604 ppm2 2.415 CV 1 OR { 3012} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 62 and name HB1 )) ASSI { 3014} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 40 and name H2B )) 5.500 3.800 0.500 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.35217E-03 ppm1 0.606 ppm2 2.259 CV 1 OR { 3014} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 40 and name H2A )) ASSI { 3015} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HB1 )) 2.600 0.900 0.900 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.21666E-02 ppm1 0.603 ppm2 2.161 CV 1 ASSI { 3017} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HG )) 2.200 0.600 0.600 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.55183E-02 ppm1 0.601 ppm2 1.796 CV 1 ASSI { 3018} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 72 and name HB% ) 4.000 2.000 2.000 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.15967E-02 ppm1 0.601 ppm2 1.584 CV 1 ASSI { 3024} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 66 and name HD1%) 2.200 0.600 0.600 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.93343E-02 ppm1 0.602 ppm2 0.407 CV 1 ASSI { 3026} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD1 )) 2.900 1.000 1.000 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.28461E-02 ppm1 2.063 ppm2 1.767 CV 1 OR { 3026} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD1 )) OR { 3026} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) OR { 3026} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 3027} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG1 )) 2.600 0.900 0.900 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.37706E-02 ppm1 2.064 ppm2 1.576 CV 1 OR { 3027} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) ASSI { 3028} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) 2.700 0.900 0.900 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.34462E-02 ppm1 2.063 ppm2 1.464 CV 1 OR { 3028} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) ASSI { 3029} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 68 and name HG2%) 2.900 1.100 1.100 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.26585E-02 ppm1 2.062 ppm2 1.061 CV 1 OR { 3029} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 68 and name HG2%) ASSI { 3031} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 3.200 1.300 1.300 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.26417E-02 ppm1 4.484 ppm2 1.460 CV 1 ASSI { 3034} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.300 0.700 0.700 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.75099E-02 ppm1 4.486 ppm2 2.061 CV 1 OR { 3034} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI { 3035} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HE1 )) 4.100 2.100 1.900 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.62067E-03 ppm1 2.062 ppm2 3.111 CV 1 OR { 3035} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HE2 )) OR { 3035} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HE1 )) OR { 3035} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HE2 )) ASSI { 3038} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HA )) 4.400 2.400 1.600 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.25418E-03 ppm1 2.058 ppm2 5.251 CV 1 OR { 3038} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HA )) ASSI { 3041} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HA )) 3.900 1.900 1.900 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.39107E-03 ppm1 4.478 ppm2 5.249 CV 1 ASSI { 3044} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) 3.500 1.500 1.500 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.89437E-03 ppm1 4.484 ppm2 8.609 CV 1 ASSI { 3048} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HD1 )) 2.600 0.800 0.800 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.45200E-02 ppm1 3.098 ppm2 1.768 CV 1 OR { 3048} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HD2 )) OR { 3048} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HD2 )) OR { 3048} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HD1 )) ASSI { 3049} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HG1 )) 3.400 1.400 1.400 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.14484E-02 ppm1 3.097 ppm2 1.577 CV 1 OR { 3049} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HG1 )) ASSI { 3050} (( segid " " and resid 67 and name HE2 )) (( segid " " and resid 67 and name HG2 )) 3.100 1.200 1.200 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.15590E-02 ppm1 3.098 ppm2 1.464 CV 1 OR { 3050} (( segid " " and resid 67 and name HE1 )) (( segid " " and resid 67 and name HG2 )) ASSI { 3055} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 68 and name HN )) 5.400 3.600 0.600 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.20120E-03 ppm1 1.765 ppm2 8.613 CV 1 OR { 3055} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 68 and name HN )) ASSI { 3056} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 29 and name HN )) 5.400 3.700 0.600 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.18991E-03 ppm1 1.760 ppm2 8.391 CV 1 ASSI { 3057} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HN )) 4.700 2.700 1.300 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.67270E-03 ppm1 1.768 ppm2 8.211 CV 1 OR { 3057} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HN )) ASSI { 3058} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 74 and name HN )) 4.800 2.800 1.200 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.32040E-03 ppm1 1.770 ppm2 8.042 CV 1 ASSI { 3063} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HN )) 2.900 1.000 1.000 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.11643E-02 ppm1 1.464 ppm2 8.205 CV 1 ASSI { 3069} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD1 )) 2.200 0.600 0.600 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.93736E-02 ppm1 1.577 ppm2 1.764 CV 1 OR { 3069} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 3071} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD2 )) 2.300 0.700 0.700 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.77474E-02 ppm1 1.461 ppm2 1.760 CV 1 OR { 3071} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HD1 )) ASSI { 3074} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.700 0.900 0.900 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.18448E-02 ppm1 5.247 ppm2 8.600 CV 1 ASSI { 3075} (( segid " " and resid 68 and name HA )) (( segid " " and resid 32 and name HN )) 2.500 0.800 0.800 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.31810E-02 ppm1 5.247 ppm2 8.221 CV 1 ASSI { 3076} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.100 0.500 0.500 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.62369E-02 ppm1 5.248 ppm2 8.138 CV 1 ASSI { 3078} (( segid " " and resid 68 and name HA )) (( segid " " and resid 30 and name HN )) 4.700 2.800 1.300 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.29676E-03 ppm1 5.241 ppm2 7.507 CV 1 ASSI { 3079} (( segid " " and resid 68 and name HA )) ( segid " " and resid 32 and name HD% ) 3.300 1.300 1.300 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.72148E-03 ppm1 5.245 ppm2 7.191 CV 1 ASSI { 3080} (( segid " " and resid 68 and name HA )) ( segid " " and resid 32 and name HE% ) 4.500 2.500 1.500 peak 3080 spectrum 1 weight 0.10000E+01 volume 0.41222E-03 ppm1 5.255 ppm2 6.971 CV 1 ASSI { 3081} (( segid " " and resid 68 and name HA )) (( segid " " and resid 70 and name HN )) 4.300 2.300 1.700 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.61450E-03 ppm1 5.250 ppm2 9.415 CV 1 ASSI { 3082} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) 3.700 1.700 1.700 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.90223E-03 ppm1 4.352 ppm2 8.602 CV 1 ASSI { 3083} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) 2.500 0.800 0.800 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.30850E-02 ppm1 4.354 ppm2 9.410 CV 1 ASSI { 3084} (( segid " " and resid 68 and name HB )) (( segid " " and resid 30 and name HN )) 3.900 1.900 1.900 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.44808E-03 ppm1 4.355 ppm2 7.501 CV 1 ASSI { 3085} (( segid " " and resid 68 and name HB )) ( segid " " and resid 32 and name HE% ) 6.000 5.700 0.000 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.95211E-04 ppm1 4.350 ppm2 6.992 CV 1 ASSI { 3086} (( segid " " and resid 68 and name HB )) (( segid " " and resid 71 and name HN )) 3.300 1.300 1.300 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.95745E-03 ppm1 4.350 ppm2 8.343 CV 1 ASSI { 3087} (( segid " " and resid 68 and name HB )) (( segid " " and resid 32 and name HN )) 4.500 2.600 1.500 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.88903E-03 ppm1 4.356 ppm2 8.244 CV 1 ASSI { 3088} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 2.100 0.500 0.500 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.67229E-02 ppm1 4.352 ppm2 8.138 CV 1 ASSI { 3090} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HG1 )) 3.300 1.400 1.400 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.70015E-03 ppm1 4.352 ppm2 5.363 CV 1 ASSI { 3091} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HA )) 2.300 0.600 0.600 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.53964E-02 ppm1 4.353 ppm2 5.248 CV 1 ASSI { 3092} (( segid " " and resid 68 and name HB )) (( segid " " and resid 31 and name HA )) 3.800 1.800 1.800 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.90725E-03 ppm1 4.351 ppm2 4.905 CV 1 ASSI { 3093} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HA1 )) 3.800 1.800 1.800 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.74313E-03 ppm1 4.351 ppm2 4.008 CV 1 ASSI { 3096} (( segid " " and resid 68 and name HB )) (( segid " " and resid 28 and name HA )) 4.700 2.700 1.300 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.62702E-03 ppm1 4.353 ppm2 3.587 CV 1 ASSI { 3097} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HA )) 4.400 2.400 1.600 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.43748E-03 ppm1 4.344 ppm2 3.384 CV 1 ASSI { 3100} (( segid " " and resid 68 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.900 2.900 1.100 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.54873E-03 ppm1 5.241 ppm2 3.863 CV 1 ASSI { 3101} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HA )) 3.800 1.800 1.800 peak 3101 spectrum 1 weight 0.10000E+01 volume 0.60596E-03 ppm1 5.249 ppm2 3.380 CV 1 ASSI { 3104} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HG1 )) 4.100 2.100 1.900 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.70586E-03 ppm1 5.249 ppm2 5.365 CV 1 ASSI { 3106} (( segid " " and resid 68 and name HA )) (( segid " " and resid 66 and name HB1 )) 5.100 3.200 0.900 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.14315E-03 ppm1 5.259 ppm2 2.182 CV 1 ASSI { 3111} (( segid " " and resid 68 and name HA )) (( segid " " and resid 40 and name H3A )) 4.000 2.000 2.000 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.24705E-03 ppm1 5.251 ppm2 1.175 CV 1 ASSI { 3112} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HG2%) 2.500 0.800 0.800 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.57184E-02 ppm1 5.248 ppm2 1.058 CV 1 ASSI { 3114} (( segid " " and resid 68 and name HA )) ( segid " " and resid 69 and name HG1%) 4.300 2.300 1.700 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 5.248 ppm2 0.438 CV 1 ASSI { 3115} (( segid " " and resid 68 and name HA )) (( segid " " and resid 31 and name HN )) 5.100 3.300 0.900 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.29190E-03 ppm1 5.248 ppm2 10.155 CV 1 ASSI { 3116} (( segid " " and resid 68 and name HB )) ( segid " " and resid 69 and name HG1%) 4.400 2.400 1.600 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.15277E-02 ppm1 4.353 ppm2 0.442 CV 1 ASSI { 3117} (( segid " " and resid 68 and name HB )) ( segid " " and resid 69 and name HG2%) 5.100 3.200 0.900 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.52484E-03 ppm1 4.351 ppm2 0.636 CV 1 ASSI { 3118} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG2%) 2.100 0.600 0.600 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.10121E-01 ppm1 4.353 ppm2 1.060 CV 1 ASSI { 3121} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HB )) 3.700 1.700 1.700 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.15919E-02 ppm1 4.352 ppm2 2.277 CV 1 ASSI { 3123} (( segid " " and resid 68 and name HB )) (( segid " " and resid 40 and name H3A )) 4.800 2.800 1.200 peak 3123 spectrum 1 weight 0.10000E+01 volume 0.22592E-03 ppm1 4.348 ppm2 1.177 CV 1 ASSI { 3124} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HG1 )) 3.200 1.300 1.300 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.11756E-02 ppm1 1.063 ppm2 5.361 CV 1 ASSI { 3128} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 66 and name HA )) 3.900 1.900 1.900 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.23594E-02 ppm1 1.062 ppm2 4.485 CV 1 ASSI { 3134} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.76963E-03 ppm1 1.063 ppm2 9.409 CV 1 ASSI { 3135} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 32 and name HE% ) 5.900 4.300 0.100 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.17973E-03 ppm1 1.071 ppm2 6.991 CV 1 ASSI { 3143} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 31 and name HN )) 3.800 1.800 1.800 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.52342E-03 ppm1 1.063 ppm2 10.157 CV 1 ASSI { 3144} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 69 and name HA )) 2.100 0.600 0.600 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.70138E-02 ppm1 0.443 ppm2 3.385 CV 1 ASSI { 3155} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 26 and name HG1%) 2.100 0.600 0.600 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.91566E-02 ppm1 0.442 ppm2 0.717 CV 1 ASSI { 3162} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 30 and name HB2 )) 3.300 1.300 1.300 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.17874E-02 ppm1 0.443 ppm2 1.379 CV 1 ASSI { 3163} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 11 and name HB2 )) 3.400 1.400 1.400 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.68343E-03 ppm1 0.440 ppm2 1.282 CV 1 ASSI { 3164} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 40 and name H3A )) 5.500 3.800 0.500 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.10136E-03 ppm1 0.443 ppm2 1.172 CV 1 OR { 3164} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 40 and name H3B )) ASSI { 3166} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 69 and name HB )) 2.000 0.500 0.500 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.91232E-02 ppm1 0.444 ppm2 2.275 CV 1 ASSI { 3172} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HB2 )) 3.700 1.700 1.700 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.12118E-02 ppm1 0.649 ppm2 1.274 CV 1 ASSI { 3174} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 69 and name HG1%) 2.100 0.500 0.500 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.12405E-01 ppm1 0.649 ppm2 0.444 CV 1 ASSI { 3181} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 70 and name HA2 )) 4.300 2.300 1.700 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.25615E-03 ppm1 0.440 ppm2 3.822 CV 1 ASSI { 3185} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HA2 )) 4.100 2.100 1.900 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.84084E-03 ppm1 0.652 ppm2 3.793 CV 1 ASSI { 3192} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HA2 )) 4.800 2.800 1.200 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.18247E-03 ppm1 3.380 ppm2 3.753 CV 1 ASSI { 3206} (( segid " " and resid 69 and name HB )) (( segid " " and resid 68 and name HA )) 4.700 2.800 1.300 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.48026E-03 ppm1 2.276 ppm2 5.249 CV 1 ASSI { 3208} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 32 and name HD% ) 3.600 1.600 1.600 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.60272E-03 ppm1 0.665 ppm2 7.190 CV 1 ASSI { 3209} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 30 and name HN )) 3.800 1.800 1.800 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.97344E-03 ppm1 0.443 ppm2 7.494 CV 1 ASSI { 3210} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 32 and name HD% ) 4.400 2.400 1.600 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.80274E-03 ppm1 0.443 ppm2 7.195 CV 1 ASSI { 3212} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 32 and name HE% ) 3.000 1.200 1.200 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.23013E-02 ppm1 0.443 ppm2 6.987 CV 1 ASSI { 3214} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 27 and name HN )) 3.400 1.500 1.500 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.99395E-03 ppm1 0.442 ppm2 6.351 CV 1 ASSI { 3215} (( segid " " and resid 69 and name HA )) ( segid " " and resid 32 and name HD% ) 3.900 1.900 1.900 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.50903E-03 ppm1 3.390 ppm2 7.195 CV 1 ASSI { 3217} (( segid " " and resid 69 and name HA )) ( segid " " and resid 32 and name HE% ) 2.000 0.500 0.500 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.34734E-02 ppm1 3.387 ppm2 6.986 CV 1 ASSI { 3218} (( segid " " and resid 69 and name HA )) (( segid " " and resid 32 and name HZ )) 3.200 1.300 1.300 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.45371E-02 ppm1 3.386 ppm2 6.849 CV 1 ASSI { 3220} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.30719E-02 ppm1 3.387 ppm2 8.148 CV 1 ASSI { 3221} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.300 1.400 1.400 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.80909E-03 ppm1 3.385 ppm2 9.410 CV 1 ASSI { 3223} (( segid " " and resid 69 and name HB )) (( segid " " and resid 70 and name HN )) 2.300 0.700 0.700 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.26773E-02 ppm1 2.278 ppm2 9.409 CV 1 ASSI { 3225} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 3225 spectrum 1 weight 0.10000E+01 volume 0.12041E-02 ppm1 0.651 ppm2 9.407 CV 1 ASSI { 3226} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HN )) 5.300 3.600 0.700 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.20175E-03 ppm1 0.647 ppm2 9.237 CV 1 ASSI { 3227} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.10565E-02 ppm1 0.443 ppm2 9.408 CV 1 ASSI { 3230} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 32 and name HN )) 4.900 2.900 1.100 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.48679E-03 ppm1 0.444 ppm2 8.255 CV 1 ASSI { 3231} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 69 and name HN )) 3.000 1.100 1.100 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.80014E-02 ppm1 0.443 ppm2 8.140 CV 1 ASSI { 3232} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 74 and name HN )) 4.500 2.600 1.500 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.41482E-03 ppm1 0.442 ppm2 8.017 CV 1 ASSI { 3243} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 73 and name HB )) 4.100 2.100 1.900 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 4.009 ppm2 4.194 CV 1 ASSI { 3244} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 73 and name HB )) 2.400 0.700 0.700 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.27423E-02 ppm1 3.795 ppm2 4.190 CV 1 ASSI { 3247} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HA )) 3.300 1.300 1.300 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.11572E-02 ppm1 4.012 ppm2 3.596 CV 1 ASSI { 3249} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 69 and name HB )) 4.900 3.000 1.100 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.54950E-03 ppm1 4.017 ppm2 2.280 CV 1 ASSI { 3251} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HB1 )) 4.400 2.400 1.600 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.70353E-03 ppm1 4.013 ppm2 1.752 CV 1 OR { 3251} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HG )) ASSI { 3254} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HB2 )) 3.000 1.100 1.100 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.13054E-02 ppm1 4.010 ppm2 1.461 CV 1 ASSI { 3257} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 28 and name HD2%) 4.500 2.500 1.500 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.70609E-03 ppm1 4.009 ppm2 0.912 CV 1 ASSI { 3271} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 74 and name HN )) 4.500 2.600 1.500 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.42257E-03 ppm1 4.016 ppm2 8.043 CV 1 ASSI { 3272} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 73 and name HN )) 3.500 1.500 1.500 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.75460E-03 ppm1 3.793 ppm2 8.644 CV 1 ASSI { 3273} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 71 and name HN )) 3.500 1.500 1.500 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.97038E-03 ppm1 3.796 ppm2 8.341 CV 1 ASSI { 3275} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 74 and name HN )) 3.800 1.800 1.800 peak 3275 spectrum 1 weight 0.10000E+01 volume 0.63835E-03 ppm1 3.795 ppm2 8.043 CV 1 ASSI { 3276} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 70 and name HN )) 2.700 0.900 0.900 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.32652E-02 ppm1 3.797 ppm2 9.409 CV 1 ASSI { 3278} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 2.800 1.000 1.000 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.29784E-02 ppm1 4.507 ppm2 8.344 CV 1 ASSI { 3284} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.300 1.300 1.300 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.12104E-02 ppm1 4.507 ppm2 8.041 CV 1 ASSI { 3285} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 4.900 2.900 1.100 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.20628E-03 ppm1 4.505 ppm2 7.946 CV 1 ASSI { 3289} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.300 0.700 0.700 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.60254E-02 ppm1 4.507 ppm2 2.923 CV 1 ASSI { 3295} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 72 and name HB% ) 4.800 2.900 1.200 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.47062E-03 ppm1 2.924 ppm2 1.596 CV 1 ASSI { 3296} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 66 and name HG )) 6.000 6.000 0.000 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.37601E-04 ppm1 3.125 ppm2 1.810 CV 1 ASSI { 3298} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.900 1.000 1.000 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.24442E-02 ppm1 4.506 ppm2 1.970 CV 1 ASSI { 3304} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 72 and name HN )) 2.200 0.600 0.600 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.52319E-02 ppm1 1.589 ppm2 8.191 CV 1 ASSI { 3308} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 74 and name HN )) 4.600 2.600 1.400 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.41682E-03 ppm1 1.594 ppm2 8.066 CV 1 ASSI { 3310} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 32 and name HD% ) 3.000 3.000 3.000 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.58783E-03 ppm1 1.590 ppm2 7.198 CV 1 ASSI { 3311} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 54 and name HE% ) 5.800 4.200 0.200 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.16485E-03 ppm1 1.592 ppm2 7.107 CV 1 ASSI { 3312} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 32 and name HE% ) 2.600 0.900 0.900 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.37296E-02 ppm1 1.590 ppm2 6.986 CV 1 ASSI { 3314} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.500 0.800 0.800 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 4.115 ppm2 8.181 CV 1 ASSI { 3315} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 3.200 1.300 1.300 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.93694E-03 ppm1 4.112 ppm2 8.645 CV 1 ASSI { 3318} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HN )) 5.200 3.300 0.800 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.23192E-03 ppm1 4.123 ppm2 8.316 CV 1 ASSI { 3319} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HN )) 3.600 1.600 1.600 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.49063E-03 ppm1 4.112 ppm2 8.045 CV 1 ASSI { 3323} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD% ) 4.000 2.000 2.000 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.72340E-03 ppm1 4.114 ppm2 6.825 CV 1 ASSI { 3326} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 72 and name HA )) 2.000 0.500 0.500 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.69321E-02 ppm1 1.591 ppm2 4.114 CV 1 ASSI { 3327} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 73 and name HA )) 3.400 1.400 1.400 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.11425E-02 ppm1 1.593 ppm2 3.663 CV 1 ASSI { 3329} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.800 1.000 1.000 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.39042E-02 ppm1 4.115 ppm2 3.123 CV 1 ASSI { 3330} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HB2 )) 3.100 3.100 2.900 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.50798E-03 ppm1 4.131 ppm2 2.935 CV 1 ASSI { 3336} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HA )) 4.000 2.000 2.000 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.32833E-03 ppm1 4.118 ppm2 3.672 CV 1 ASSI { 3338} (( segid " " and resid 72 and name HA )) (( segid " " and resid 66 and name HB1 )) 2.900 1.100 1.100 peak 3338 spectrum 1 weight 0.10000E+01 volume 0.81078E-03 ppm1 4.113 ppm2 2.158 CV 1 ASSI { 3349} (( segid " " and resid 72 and name HA )) ( segid " " and resid 66 and name HD1%) 2.000 0.500 0.500 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.36867E-02 ppm1 4.115 ppm2 0.410 CV 1 ASSI { 3350} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 40 and name H6% ) 2.500 0.800 0.800 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.50305E-02 ppm1 1.590 ppm2 0.625 CV 1 ASSI { 3352} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H5A )) 3.200 1.300 1.300 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.21626E-02 ppm1 1.589 ppm2 0.967 CV 1 OR { 3352} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H5B )) ASSI { 3353} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H4B )) 2.100 0.600 0.600 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.62428E-02 ppm1 1.591 ppm2 0.857 CV 1 OR { 3353} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H4A )) ASSI { 3355} (( segid " " and resid 72 and name HA )) (( segid " " and resid 58 and name HB )) 5.800 4.300 0.200 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.20850E-03 ppm1 4.111 ppm2 1.721 CV 1 ASSI { 3360} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.18674E-02 ppm1 3.678 ppm2 8.645 CV 1 ASSI { 3362} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) 3.800 1.800 1.800 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.38833E-03 ppm1 3.688 ppm2 8.040 CV 1 ASSI { 3363} (( segid " " and resid 73 and name HB )) (( segid " " and resid 72 and name HN )) 4.500 2.500 1.500 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.50698E-03 ppm1 4.190 ppm2 8.158 CV 1 ASSI { 3364} (( segid " " and resid 73 and name HB )) (( segid " " and resid 74 and name HN )) 2.600 0.800 0.800 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.35613E-02 ppm1 4.188 ppm2 8.040 CV 1 ASSI { 3365} (( segid " " and resid 73 and name HB )) (( segid " " and resid 75 and name HN )) 4.900 3.000 1.100 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.40881E-03 ppm1 4.180 ppm2 7.927 CV 1 ASSI { 3368} (( segid " " and resid 73 and name HB )) (( segid " " and resid 73 and name HN )) 2.400 0.700 0.700 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.40293E-02 ppm1 4.189 ppm2 8.643 CV 1 ASSI { 3370} (( segid " " and resid 73 and name HA )) (( segid " " and resid 70 and name HA2 )) 4.100 2.100 1.900 peak 3370 spectrum 1 weight 0.10000E+01 volume 0.10757E-02 ppm1 3.675 ppm2 3.791 CV 1 ASSI { 3371} (( segid " " and resid 73 and name HB )) (( segid " " and resid 28 and name HA )) 5.200 3.400 0.800 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.23944E-03 ppm1 4.189 ppm2 3.534 CV 1 ASSI { 3374} (( segid " " and resid 73 and name HA )) ( segid " " and resid 73 and name HG2%) 2.300 0.700 0.700 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.51447E-02 ppm1 3.679 ppm2 1.106 CV 1 ASSI { 3378} (( segid " " and resid 73 and name HB )) (( segid " " and resid 4 and name HG1 )) 5.300 3.500 0.700 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.22579E-03 ppm1 4.200 ppm2 2.215 CV 1 ASSI { 3379} (( segid " " and resid 73 and name HB )) (( segid " " and resid 74 and name HB1 )) 4.100 2.100 1.900 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.48250E-03 ppm1 4.193 ppm2 1.929 CV 1 OR { 3379} (( segid " " and resid 73 and name HB )) (( segid " " and resid 74 and name HB2 )) ASSI { 3388} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 72 and name HN )) 4.400 2.400 1.600 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.45375E-03 ppm1 1.974 ppm2 8.161 CV 1 ASSI { 3390} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HN )) 2.300 0.600 0.600 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.46806E-02 ppm1 1.906 ppm2 8.045 CV 1 ASSI { 3391} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.900 1.100 1.100 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.13001E-02 ppm1 1.976 ppm2 7.941 CV 1 ASSI { 3398} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.44587E-02 ppm1 1.906 ppm2 3.944 CV 1 ASSI { 3399} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG2 )) 2.900 1.100 1.100 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.29245E-02 ppm1 3.941 ppm2 1.476 CV 1 OR { 3399} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG1 )) ASSI { 3400} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.600 0.900 0.900 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.51872E-02 ppm1 3.942 ppm2 1.976 CV 1 ASSI { 3411} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HN )) 5.200 3.400 0.800 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.28543E-03 ppm1 3.945 ppm2 8.632 CV 1 ASSI { 3412} (( segid " " and resid 74 and name HA )) (( segid " " and resid 78 and name HN )) 3.800 1.800 1.800 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.50017E-03 ppm1 3.947 ppm2 8.278 CV 1 ASSI { 3416} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG1 )) 2.600 0.800 0.800 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.31076E-02 ppm1 1.976 ppm2 1.468 CV 1 OR { 3416} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG2 )) ASSI { 3417} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HG1 )) 2.700 0.900 0.900 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.33757E-02 ppm1 1.906 ppm2 1.466 CV 1 OR { 3417} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HG2 )) ASSI { 3421} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 75 and name HN )) 5.000 3.100 1.000 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.28069E-03 ppm1 1.481 ppm2 7.941 CV 1 OR { 3421} (( segid " " and resid 74 and name HG1 )) (( segid " " and resid 75 and name HN )) ASSI { 3424} (( segid " " and resid 74 and name HG1 )) (( segid " " and resid 74 and name HE2 )) 3.700 1.700 1.700 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.99235E-03 ppm1 1.469 ppm2 3.026 CV 1 OR { 3424} (( segid " " and resid 74 and name HG1 )) (( segid " " and resid 74 and name HE1 )) OR { 3424} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HE2 )) OR { 3424} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HE1 )) ASSI { 3429} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 74 and name HA )) 3.200 1.300 1.300 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.64273E-03 ppm1 1.785 ppm2 3.937 CV 1 ASSI { 3432} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HG2 )) 2.100 0.600 0.600 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.10747E-01 ppm1 1.668 ppm2 1.469 CV 1 OR { 3432} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HG1 )) ASSI { 3436} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.600 0.900 0.900 peak 3436 spectrum 1 weight 0.10000E+01 volume 0.35768E-02 ppm1 4.223 ppm2 7.946 CV 1 ASSI { 3437} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) 2.400 0.700 0.700 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.38849E-02 ppm1 3.146 ppm2 7.945 CV 1 OR { 3437} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) ASSI { 3441} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) 3.600 1.600 1.600 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.86267E-03 ppm1 4.218 ppm2 8.278 CV 1 ASSI { 3442} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HN )) 4.500 2.500 1.500 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.82791E-03 ppm1 4.222 ppm2 8.060 CV 1 ASSI { 3444} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HN )) 4.800 2.800 1.200 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.18908E-03 ppm1 4.230 ppm2 7.750 CV 1 ASSI { 3450} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HD2 )) 3.400 1.500 1.500 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.72865E-03 ppm1 4.218 ppm2 7.012 CV 1 ASSI { 3451} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD% ) 2.700 0.900 0.900 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.28694E-02 ppm1 4.222 ppm2 6.820 CV 1 ASSI { 3453} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HE% ) 4.800 2.900 1.200 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.45021E-03 ppm1 4.226 ppm2 6.558 CV 1 ASSI { 3456} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.20567E-02 ppm1 3.103 ppm2 4.116 CV 1 OR { 3456} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) ASSI { 3460} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB2 )) 4.200 2.200 1.800 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.99007E-03 ppm1 4.223 ppm2 2.219 CV 1 ASSI { 3462} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HB2 )) 3.300 1.400 1.400 peak 3462 spectrum 1 weight 0.10000E+01 volume 0.32609E-03 ppm1 4.223 ppm2 1.912 CV 1 ASSI { 3464} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HG2 )) 3.500 1.500 1.500 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.56549E-03 ppm1 4.225 ppm2 1.452 CV 1 OR { 3464} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HG1 )) ASSI { 3467} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 66 and name HD1%) 3.500 1.500 1.500 peak 3467 spectrum 1 weight 0.10000E+01 volume 0.88885E-03 ppm1 3.096 ppm2 0.408 CV 1 OR { 3467} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 66 and name HD1%) ASSI { 3469} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.400 0.700 0.700 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.54256E-02 ppm1 4.225 ppm2 3.109 CV 1 OR { 3469} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 3473} (( segid " " and resid 76 and name HB )) (( segid " " and resid 73 and name HN )) 3.200 3.200 2.800 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.42196E-03 ppm1 1.787 ppm2 8.627 CV 1 ASSI { 3475} (( segid " " and resid 76 and name HA )) (( segid " " and resid 78 and name HN )) 4.900 3.000 1.100 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.23238E-03 ppm1 3.504 ppm2 8.296 CV 1 ASSI { 3479} (( segid " " and resid 76 and name HA )) ( segid " " and resid 75 and name HD% ) 3.000 1.200 1.200 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.18859E-02 ppm1 3.506 ppm2 6.821 CV 1 ASSI { 3480} (( segid " " and resid 76 and name HA )) ( segid " " and resid 75 and name HE% ) 4.200 2.200 1.800 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.48962E-03 ppm1 3.502 ppm2 6.547 CV 1 ASSI { 3481} (( segid " " and resid 76 and name HA )) (( segid " " and resid 72 and name HA )) 5.200 3.400 0.800 peak 3481 spectrum 1 weight 0.10000E+01 volume 0.17110E-03 ppm1 3.506 ppm2 4.095 CV 1 ASSI { 3483} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HB2 )) 5.000 3.100 1.000 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.40776E-03 ppm1 3.503 ppm2 3.076 CV 1 ASSI { 3499} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 75 and name HB1 )) 3.500 1.500 1.500 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.65694E-03 ppm1 1.996 ppm2 3.142 CV 1 OR { 3499} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 75 and name HB2 )) ASSI { 3500} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 76 and name HA )) 2.600 0.900 0.900 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.24905E-02 ppm1 1.997 ppm2 3.505 CV 1 ASSI { 3501} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 76 and name HA )) 2.400 0.700 0.700 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.26725E-02 ppm1 0.916 ppm2 3.503 CV 1 ASSI { 3504} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 75 and name HB1 )) 4.700 2.700 1.300 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.34162E-03 ppm1 0.915 ppm2 3.135 CV 1 ASSI { 3511} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 73 and name HA )) 4.900 3.000 1.100 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.19731E-03 ppm1 2.007 ppm2 3.667 CV 1 ASSI { 3512} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 73 and name HA )) 5.800 4.300 0.200 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.17429E-03 ppm1 0.905 ppm2 3.690 CV 1 ASSI { 3513} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 75 and name HD% ) 2.800 1.000 1.000 peak 3513 spectrum 1 weight 0.10000E+01 volume 0.97819E-03 ppm1 1.997 ppm2 6.821 CV 1 ASSI { 3514} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 75 and name HE% ) 5.600 3.900 0.400 peak 3514 spectrum 1 weight 0.10000E+01 volume 0.16938E-03 ppm1 1.998 ppm2 6.545 CV 1 ASSI { 3515} (( segid " " and resid 76 and name HG12)) ( segid " " and resid 75 and name HD% ) 3.800 1.800 1.800 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.67247E-03 ppm1 0.915 ppm2 6.831 CV 1 ASSI { 3516} (( segid " " and resid 76 and name HG12)) ( segid " " and resid 75 and name HE% ) 6.000 4.500 0.000 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.11149E-03 ppm1 0.899 ppm2 6.558 CV 1 ASSI { 3517} (( segid " " and resid 76 and name HG12)) ( segid " " and resid 54 and name HD% ) 4.100 2.100 1.900 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.30975E-03 ppm1 0.924 ppm2 7.490 CV 1 ASSI { 3519} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 75 and name HN )) 6.000 4.500 0.000 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.24941E-03 ppm1 0.903 ppm2 7.971 CV 1 ASSI { 3520} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 75 and name HN )) 5.200 3.300 0.800 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.15256E-03 ppm1 2.005 ppm2 7.951 CV 1 ASSI { 3523} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 7 and name HG12)) 3.400 1.500 1.500 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.31851E-03 ppm1 0.534 ppm2 0.247 CV 1 ASSI { 3528} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 73 and name HG2%) 6.000 5.000 0.000 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.16798E-03 ppm1 0.534 ppm2 1.109 CV 1 ASSI { 3537} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HB )) 2.200 0.600 0.600 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.58797E-02 ppm1 0.617 ppm2 1.779 CV 1 ASSI { 3538} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 58 and name HB )) 4.000 2.000 2.000 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.62565E-03 ppm1 0.614 ppm2 1.676 CV 1 ASSI { 3539} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 72 and name HB% ) 2.700 0.900 0.900 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.19195E-02 ppm1 0.616 ppm2 1.587 CV 1 ASSI { 3543} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HB1 )) 3.200 1.200 1.200 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.45650E-03 ppm1 0.618 ppm2 3.139 CV 1 OR { 3543} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 3544} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 54 and name HB2 )) 3.500 1.600 1.600 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.87327E-03 ppm1 0.619 ppm2 2.750 CV 1 ASSI { 3546} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HG2 )) 5.200 3.400 0.800 peak 3546 spectrum 1 weight 0.10000E+01 volume 0.14840E-03 ppm1 0.539 ppm2 2.584 CV 1 ASSI { 3549} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HB1 )) 5.700 4.100 0.300 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.17694E-03 ppm1 0.532 ppm2 2.345 CV 1 ASSI { 3551} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HB2 )) 5.200 3.400 0.800 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.34381E-03 ppm1 0.536 ppm2 2.136 CV 1 ASSI { 3557} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 3557 spectrum 1 weight 0.10000E+01 volume 0.98185E-03 ppm1 0.536 ppm2 3.492 CV 1 ASSI { 3559} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 3559 spectrum 1 weight 0.10000E+01 volume 0.51812E-03 ppm1 0.620 ppm2 4.148 CV 1 ASSI { 3563} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 3563 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 0.617 ppm2 3.679 CV 1 ASSI { 3564} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 0.617 ppm2 3.497 CV 1 ASSI { 3566} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 54 and name HA )) 5.800 4.300 0.200 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.12767E-03 ppm1 0.537 ppm2 4.847 CV 1 ASSI { 3568} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 73 and name HN )) 3.400 1.400 1.400 peak 3568 spectrum 1 weight 0.10000E+01 volume 0.29698E-03 ppm1 0.614 ppm2 8.635 CV 1 ASSI { 3569} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HN )) 3.400 1.400 1.400 peak 3569 spectrum 1 weight 0.10000E+01 volume 0.24159E-02 ppm1 0.617 ppm2 8.506 CV 1 ASSI { 3575} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 54 and name HD% ) 2.600 0.800 0.800 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.29917E-02 ppm1 0.617 ppm2 7.469 CV 1 ASSI { 3576} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 54 and name HE% ) 3.200 1.300 1.300 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.10761E-02 ppm1 0.618 ppm2 7.126 CV 1 ASSI { 3578} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 75 and name HD% ) 2.900 1.100 1.100 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.74272E-03 ppm1 0.614 ppm2 6.822 CV 1 ASSI { 3579} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HN )) 4.600 2.600 1.400 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.48601E-03 ppm1 0.534 ppm2 8.507 CV 1 ASSI { 3582} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HE22)) 4.400 2.400 1.600 peak 3582 spectrum 1 weight 0.10000E+01 volume 0.18079E-03 ppm1 0.534 ppm2 7.727 CV 1 ASSI { 3583} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 54 and name HD% ) 3.900 1.900 1.900 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.38765E-03 ppm1 0.533 ppm2 7.469 CV 1 ASSI { 3584} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 54 and name HE% ) 4.800 2.900 1.200 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.15652E-03 ppm1 0.538 ppm2 7.136 CV 1 ASSI { 3591} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 3.800 1.800 1.800 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.14633E-02 ppm1 1.663 ppm2 8.284 CV 1 ASSI { 3592} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) 2.600 0.800 0.800 peak 3592 spectrum 1 weight 0.10000E+01 volume 0.16165E-02 ppm1 1.770 ppm2 8.279 CV 1 ASSI { 3597} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HE21)) 2.800 1.000 1.000 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.16676E-02 ppm1 3.896 ppm2 7.655 CV 1 ASSI { 3603} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HB1 )) 5.500 3.800 0.500 peak 3603 spectrum 1 weight 0.10000E+01 volume 0.49277E-03 ppm1 3.896 ppm2 2.344 CV 1 ASSI { 3604} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HG2 )) 2.300 0.700 0.700 peak 3604 spectrum 1 weight 0.10000E+01 volume 0.13330E-02 ppm1 3.896 ppm2 2.583 CV 1 ASSI { 3609} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HB2 )) 5.500 3.700 0.500 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.24279E-03 ppm1 1.666 ppm2 2.200 CV 1 ASSI { 3613} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD2%) 2.400 0.700 0.700 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.47400E-02 ppm1 1.665 ppm2 0.825 CV 1 OR { 3613} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) ASSI { 3615} (( segid " " and resid 77 and name HA )) (( segid " " and resid 7 and name HG12)) 5.200 3.400 0.800 peak 3615 spectrum 1 weight 0.10000E+01 volume 0.16043E-03 ppm1 3.897 ppm2 0.245 CV 1 ASSI { 3617} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 2.700 0.900 0.900 peak 3617 spectrum 1 weight 0.10000E+01 volume 0.15885E-02 ppm1 1.627 ppm2 3.908 CV 1 ASSI { 3620} (( segid " " and resid 77 and name HG )) (( segid " " and resid 78 and name HN )) 4.600 2.600 1.400 peak 3620 spectrum 1 weight 0.10000E+01 volume 0.37251E-03 ppm1 1.631 ppm2 8.279 CV 1 ASSI { 3621} (( segid " " and resid 77 and name HG )) (( segid " " and resid 80 and name HB1 )) 5.200 3.300 0.800 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.48327E-03 ppm1 1.614 ppm2 2.299 CV 1 ASSI { 3623} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD2%) 2.600 0.800 0.800 peak 3623 spectrum 1 weight 0.10000E+01 volume 0.37043E-02 ppm1 1.628 ppm2 0.819 CV 1 OR { 3623} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD1%) ASSI { 3624} (( segid " " and resid 77 and name HG )) ( segid " " and resid 73 and name HG2%) 4.200 2.200 1.800 peak 3624 spectrum 1 weight 0.10000E+01 volume 0.73560E-03 ppm1 1.618 ppm2 1.104 CV 1 ASSI { 3626} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 3626 spectrum 1 weight 0.10000E+01 volume 0.20984E-02 ppm1 0.831 ppm2 3.696 CV 1 ASSI { 3632} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 3 and name HB )) 5.400 3.600 0.600 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.22636E-03 ppm1 0.824 ppm2 4.721 CV 1 ASSI { 3636} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 78 and name HN )) 5.300 3.500 0.700 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.22093E-03 ppm1 0.823 ppm2 8.312 CV 1 OR { 3636} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 78 and name HN )) ASSI { 3644} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HE21)) 3.500 1.600 1.600 peak 3644 spectrum 1 weight 0.10000E+01 volume 0.17882E-02 ppm1 0.826 ppm2 7.650 CV 1 OR { 3644} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HE21)) ASSI { 3645} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HN )) 3.700 1.700 1.700 peak 3645 spectrum 1 weight 0.10000E+01 volume 0.99386E-03 ppm1 0.825 ppm2 9.249 CV 1 ASSI { 3653} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HG1 )) 5.200 3.400 0.800 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.17813E-03 ppm1 0.825 ppm2 2.692 CV 1 OR { 3653} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HG1 )) ASSI { 3654} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HG2 )) 5.700 4.100 0.300 peak 3654 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 0.829 ppm2 2.587 CV 1 OR { 3654} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HG2 )) ASSI { 3655} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 4 and name HB2 )) 3.300 1.400 1.400 peak 3655 spectrum 1 weight 0.10000E+01 volume 0.94083E-03 ppm1 0.825 ppm2 2.062 CV 1 OR { 3655} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HB2 )) ASSI { 3657} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HB1 )) 1.500 0.300 0.700 peak 3657 spectrum 1 weight 0.10000E+01 volume 0.15160E-01 ppm1 1.273 ppm2 2.120 CV 1 ASSI { 3659} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 1.700 0.300 0.500 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.25939E-01 ppm1 3.256 ppm2 2.552 CV 1 ASSI { 3662} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HG2%) 4.600 2.700 1.400 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.42925E-03 ppm1 3.258 ppm2 0.945 CV 1 OR { 3662} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HG1%) ASSI { 3663} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 81 and name HN )) 4.900 3.100 1.100 peak 3663 spectrum 1 weight 0.10000E+01 volume 0.28022E-03 ppm1 3.246 ppm2 8.311 CV 1 ASSI { 3664} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 55 and name HB1 )) 3.900 1.900 1.900 peak 3664 spectrum 1 weight 0.10000E+01 volume 0.63748E-03 ppm1 1.441 ppm2 3.252 CV 1 ASSI { 3665} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.400 0.700 0.700 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.74743E-02 ppm1 1.433 ppm2 4.180 CV 1 ASSI { 3666} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HA )) 4.300 2.300 1.700 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.93105E-03 ppm1 1.432 ppm2 4.429 CV 1 ASSI { 3667} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 55 and name HB2 )) 4.000 2.000 2.000 peak 3667 spectrum 1 weight 0.10000E+01 volume 0.50593E-03 ppm1 1.437 ppm2 2.570 CV 1 ASSI { 3670} (( segid " " and resid 81 and name HA )) (( segid " " and resid 55 and name HB2 )) 4.700 2.700 1.300 peak 3670 spectrum 1 weight 0.10000E+01 volume 0.29778E-03 ppm1 4.185 ppm2 2.580 CV 1 ASSI { 3671} (( segid " " and resid 81 and name HA )) (( segid " " and resid 80 and name HB1 )) 5.200 3.400 0.800 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.17918E-03 ppm1 4.185 ppm2 2.342 CV 1 ASSI { 3675} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.700 0.900 0.900 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.33119E-02 ppm1 4.181 ppm2 8.306 CV 1 ASSI { 3681} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.73377E-02 ppm1 1.435 ppm2 8.305 CV 1 ASSI { 3684} (( segid " " and resid 1 and name HA )) ( segid " " and resid 1 and name HB% ) 2.400 0.700 0.700 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.65835E-02 ppm1 4.034 ppm2 1.519 CV 1 ASSI { 3685} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HG1 )) 4.500 2.500 1.500 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.31487E-03 ppm1 4.032 ppm2 2.707 CV 1 ASSI { 3686} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HB1 )) 3.500 1.500 1.500 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.73450E-03 ppm1 4.034 ppm2 2.342 CV 1 ASSI { 3690} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HB2 )) 5.000 3.100 1.000 peak 3690 spectrum 1 weight 0.10000E+01 volume 0.39877E-03 ppm1 4.034 ppm2 2.134 CV 1 ASSI { 3691} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HG2 )) 5.100 3.200 0.900 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.48638E-03 ppm1 4.035 ppm2 2.580 CV 1 ASSI { 3695} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 3 and name HA )) 4.400 2.400 1.600 peak 3695 spectrum 1 weight 0.10000E+01 volume 0.34813E-03 ppm1 1.517 ppm2 4.433 CV 1 ASSI { 3696} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 2 and name HA )) 4.300 2.300 1.700 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.73085E-03 ppm1 1.520 ppm2 4.832 CV 1 ASSI { 3697} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name HA )) 4.000 2.000 2.000 peak 3697 spectrum 1 weight 0.10000E+01 volume 0.74121E-03 ppm1 4.038 ppm2 4.805 CV 1 ASSI { 3700} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HE21)) 4.000 2.000 2.000 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.22409E-02 ppm1 1.517 ppm2 7.655 CV 1 ASSI { 3701} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HE22)) 4.700 2.800 1.300 peak 3701 spectrum 1 weight 0.10000E+01 volume 0.23477E-03 ppm1 4.033 ppm2 7.762 CV 1 ASSI { 3703} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HE21)) 4.500 2.500 1.500 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.60203E-03 ppm1 4.032 ppm2 7.657 CV 1 ASSI { 3707} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 3707 spectrum 1 weight 0.10000E+01 volume 0.34484E-02 ppm1 2.538 ppm2 8.279 CV 1 ASSI { 3708} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 3708 spectrum 1 weight 0.10000E+01 volume 0.26713E-02 ppm1 2.220 ppm2 8.278 CV 1 ASSI { 3710} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 79 and name HA )) 6.000 5.500 0.000 peak 3710 spectrum 1 weight 0.10000E+01 volume 0.96618E-04 ppm1 2.231 ppm2 4.626 CV 1 ASSI { 3715} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 3715 spectrum 1 weight 0.10000E+01 volume 0.28979E-02 ppm1 2.534 ppm2 4.383 CV 1 ASSI { 3717} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 75 and name HA )) 3.200 1.300 1.300 peak 3717 spectrum 1 weight 0.10000E+01 volume 0.11207E-02 ppm1 2.545 ppm2 4.224 CV 1 ASSI { 3719} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 2.400 0.700 0.700 peak 3719 spectrum 1 weight 0.10000E+01 volume 0.72198E-02 ppm1 4.384 ppm2 2.219 CV 1 ASSI { 3724} (( segid " " and resid 78 and name HA )) ( segid " " and resid 77 and name HD1%) 4.400 2.400 1.600 peak 3724 spectrum 1 weight 0.10000E+01 volume 0.35337E-03 ppm1 4.384 ppm2 0.831 CV 1 OR { 3724} (( segid " " and resid 78 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 3725} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 77 and name HG )) 5.600 4.000 0.400 peak 3725 spectrum 1 weight 0.10000E+01 volume 0.18923E-03 ppm1 2.220 ppm2 1.653 CV 1 OR { 3725} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 77 and name HB2 )) ASSI { 3729} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 79 and name HD2 )) 5.800 4.200 0.200 peak 3729 spectrum 1 weight 0.10000E+01 volume 0.32663E-03 ppm1 2.224 ppm2 7.015 CV 1 ASSI { 3732} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 79 and name HN )) 3.200 1.300 1.300 peak 3732 spectrum 1 weight 0.10000E+01 volume 0.83947E-03 ppm1 2.534 ppm2 7.710 CV 1 ASSI { 3733} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 79 and name HN )) 4.600 2.600 1.400 peak 3733 spectrum 1 weight 0.10000E+01 volume 0.73021E-03 ppm1 2.214 ppm2 7.708 CV 1 ASSI { 3743} (( segid " " and resid 79 and name HA )) (( segid " " and resid 80 and name HN )) 3.200 1.300 1.300 peak 3743 spectrum 1 weight 0.10000E+01 volume 0.15504E-02 ppm1 4.628 ppm2 7.883 CV 1 ASSI { 3746} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 80 and name HN )) 4.200 2.200 1.800 peak 3746 spectrum 1 weight 0.10000E+01 volume 0.53091E-03 ppm1 3.588 ppm2 7.877 CV 1 ASSI { 3747} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HN )) 4.000 2.000 2.000 peak 3747 spectrum 1 weight 0.10000E+01 volume 0.16899E-02 ppm1 3.590 ppm2 7.710 CV 1 ASSI { 3749} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 75 and name HD% ) 4.900 3.100 1.100 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.26637E-03 ppm1 3.597 ppm2 6.813 CV 1 ASSI { 3750} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 75 and name HE% ) 4.100 2.100 1.900 peak 3750 spectrum 1 weight 0.10000E+01 volume 0.43362E-03 ppm1 3.590 ppm2 6.558 CV 1 ASSI { 3751} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 80 and name HN )) 3.700 1.700 1.700 peak 3751 spectrum 1 weight 0.10000E+01 volume 0.60683E-03 ppm1 2.524 ppm2 7.880 CV 1 ASSI { 3753} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD2 )) 3.200 1.300 1.300 peak 3753 spectrum 1 weight 0.10000E+01 volume 0.90127E-03 ppm1 2.519 ppm2 7.009 CV 1 ASSI { 3754} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 75 and name HD% ) 3.800 1.800 1.800 peak 3754 spectrum 1 weight 0.10000E+01 volume 0.47162E-03 ppm1 2.516 ppm2 6.819 CV 1 ASSI { 3755} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 75 and name HE% ) 3.700 1.700 1.700 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.51616E-03 ppm1 2.523 ppm2 6.557 CV 1 ASSI { 3756} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HD2 )) 3.900 1.900 1.900 peak 3756 spectrum 1 weight 0.10000E+01 volume 0.77200E-03 ppm1 4.631 ppm2 7.010 CV 1 ASSI { 3760} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 2.600 0.800 0.800 peak 3760 spectrum 1 weight 0.10000E+01 volume 0.42644E-02 ppm1 4.631 ppm2 3.588 CV 1 ASSI { 3766} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 56 and name HB )) 4.400 2.400 1.600 peak 3766 spectrum 1 weight 0.10000E+01 volume 0.39858E-03 ppm1 3.585 ppm2 2.009 CV 1 ASSI { 3769} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) 3.100 1.200 1.200 peak 3769 spectrum 1 weight 0.10000E+01 volume 0.31251E-02 ppm1 4.635 ppm2 2.517 CV 1 ASSI { 3770} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 56 and name HG2%) 3.200 1.300 1.300 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.15390E-02 ppm1 3.590 ppm2 0.955 CV 1 OR { 3770} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 56 and name HG1%) ASSI { 3771} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 56 and name HG2%) 3.000 1.100 1.100 peak 3771 spectrum 1 weight 0.10000E+01 volume 0.20969E-02 ppm1 2.518 ppm2 0.952 CV 1 OR { 3771} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 56 and name HG1%) ASSI { 3772} (( segid " " and resid 79 and name HA )) ( segid " " and resid 56 and name HG2%) 4.100 2.100 1.900 peak 3772 spectrum 1 weight 0.10000E+01 volume 0.10154E-02 ppm1 4.634 ppm2 0.981 CV 1 OR { 3772} (( segid " " and resid 79 and name HA )) ( segid " " and resid 56 and name HG1%) ASSI { 3774} (( segid " " and resid 79 and name HA )) (( segid " " and resid 78 and name HN )) 5.100 3.200 0.900 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.33271E-03 ppm1 4.632 ppm2 8.304 CV 1 ASSI { 3778} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HB1 )) 3.800 1.800 1.800 peak 3778 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 7.010 ppm2 3.588 CV 1 ASSI { 3782} (( segid " " and resid 79 and name HD2 )) ( segid " " and resid 75 and name HE% ) 4.400 2.400 1.600 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.28876E-03 ppm1 7.010 ppm2 6.559 CV 1 ASSI { 3783} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 81 and name HN )) 3.100 1.200 1.200 peak 3783 spectrum 1 weight 0.10000E+01 volume 0.16875E-02 ppm1 2.341 ppm2 8.306 CV 1 ASSI { 3788} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HN )) 2.100 0.500 0.500 peak 3788 spectrum 1 weight 0.10000E+01 volume 0.11103E-01 ppm1 4.418 ppm2 8.307 CV 1 ASSI { 3802} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG1 )) 3.400 1.500 1.500 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.21146E-02 ppm1 4.418 ppm2 2.711 CV 1 ASSI { 3803} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG2 )) 2.600 0.800 0.800 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.21752E-02 ppm1 4.418 ppm2 2.582 CV 1 ASSI { 3805} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB1 )) 2.300 0.700 0.700 peak 3805 spectrum 1 weight 0.10000E+01 volume 0.59961E-02 ppm1 4.418 ppm2 2.338 CV 1 ASSI { 3806} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.500 0.800 0.800 peak 3806 spectrum 1 weight 0.10000E+01 volume 0.61729E-02 ppm1 4.419 ppm2 2.141 CV 1 ASSI { 3807} (( segid " " and resid 80 and name HA )) (( segid " " and resid 56 and name HB )) 3.100 1.200 1.200 peak 3807 spectrum 1 weight 0.10000E+01 volume 0.13264E-02 ppm1 4.419 ppm2 2.009 CV 1 ASSI { 3808} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HG1 )) 2.600 0.800 0.800 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.32410E-02 ppm1 2.341 ppm2 2.708 CV 1 ASSI { 3809} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HG1 )) 2.500 0.800 0.800 peak 3809 spectrum 1 weight 0.10000E+01 volume 0.32249E-02 ppm1 2.145 ppm2 2.709 CV 1 ASSI { 3810} (( segid " " and resid 80 and name HB1 )) (( segid " " and resid 80 and name HG2 )) 2.800 1.000 1.000 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.41564E-02 ppm1 2.340 ppm2 2.583 CV 1 ASSI { 3811} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 80 and name HG2 )) 2.400 0.700 0.700 peak 3811 spectrum 1 weight 0.10000E+01 volume 0.36079E-02 ppm1 2.144 ppm2 2.582 CV 1 ASSI { 3815} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 1 and name HB% ) 4.000 2.000 2.000 peak 3815 spectrum 1 weight 0.10000E+01 volume 0.55065E-03 ppm1 2.338 ppm2 1.515 CV 1 ASSI { 3817} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 81 and name HB% ) 4.300 2.300 1.700 peak 3817 spectrum 1 weight 0.10000E+01 volume 0.29097E-03 ppm1 2.348 ppm2 1.441 CV 1 ASSI { 3823} (( segid " " and resid 80 and name HA )) ( segid " " and resid 76 and name HG2%) 3.900 1.900 1.900 peak 3823 spectrum 1 weight 0.10000E+01 volume 0.51438E-03 ppm1 4.420 ppm2 0.533 CV 1 ASSI { 3833} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 56 and name HG2%) 5.000 3.100 1.000 peak 3833 spectrum 1 weight 0.10000E+01 volume 0.53009E-03 ppm1 2.715 ppm2 0.969 CV 1 OR { 3833} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 56 and name HG1%) ASSI { 3834} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 56 and name HG2%) 4.300 2.300 1.700 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.47720E-03 ppm1 2.591 ppm2 0.967 CV 1 OR { 3834} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 56 and name HG1%) ASSI { 3835} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 77 and name HD1%) 4.300 2.300 1.700 peak 3835 spectrum 1 weight 0.10000E+01 volume 0.31165E-03 ppm1 2.712 ppm2 0.816 CV 1 ASSI { 3836} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 77 and name HD1%) 4.500 2.600 1.500 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.31574E-03 ppm1 2.595 ppm2 0.819 CV 1 ASSI { 3847} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 77 and name HA )) 3.600 1.600 1.600 peak 3847 spectrum 1 weight 0.10000E+01 volume 0.10756E-02 ppm1 2.714 ppm2 3.895 CV 1 ASSI { 3850} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HN )) 2.700 0.900 0.900 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.20865E-02 ppm1 2.587 ppm2 7.876 CV 1 ASSI { 3854} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HE21)) 2.600 0.800 0.800 peak 3854 spectrum 1 weight 0.10000E+01 volume 0.83239E-03 ppm1 2.588 ppm2 7.655 CV 1 ASSI { 3857} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 69 and name HA )) 2.600 2.600 3.400 peak 3857 spectrum 1 weight 0.10000E+01 volume 0.13219E-02 ppm1 1.109 ppm2 3.384 CV 1 ASSI { 3858} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 73 and name HB )) 2.000 0.500 0.500 peak 3858 spectrum 1 weight 0.10000E+01 volume 0.96079E-02 ppm1 1.108 ppm2 4.185 CV 1 ASSI { 3861} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 70 and name HA2 )) 3.600 1.700 1.700 peak 3861 spectrum 1 weight 0.10000E+01 volume 0.14878E-02 ppm1 1.108 ppm2 3.794 CV 1 ASSI { 3863} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HE21)) 3.600 1.600 1.600 peak 3863 spectrum 1 weight 0.10000E+01 volume 0.41809E-03 ppm1 1.109 ppm2 6.836 CV 1 ASSI { 3864} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 5 and name HN )) 3.700 1.700 1.700 peak 3864 spectrum 1 weight 0.10000E+01 volume 0.17880E-03 ppm1 1.113 ppm2 8.902 CV 1 ASSI { 3866} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 73 and name HN )) 3.500 1.500 1.500 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.22514E-02 ppm1 1.108 ppm2 8.641 CV 1 ASSI { 3871} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HN )) 3.300 1.400 1.400 peak 3871 spectrum 1 weight 0.10000E+01 volume 0.19895E-02 ppm1 1.109 ppm2 8.039 CV 1 ASSI { 3872} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 75 and name HN )) 4.400 2.400 1.600 peak 3872 spectrum 1 weight 0.10000E+01 volume 0.47829E-03 ppm1 1.110 ppm2 7.938 CV 1 ASSI { 3874} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HN )) 4.500 2.500 1.500 peak 3874 spectrum 1 weight 0.10000E+01 volume 0.49972E-03 ppm1 1.107 ppm2 9.237 CV 1 ASSI { 3876} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HG2 )) 2.100 0.600 0.600 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.65863E-02 ppm1 1.109 ppm2 2.167 CV 1 ASSI { 3886} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HG12)) 5.300 3.600 0.700 peak 3886 spectrum 1 weight 0.10000E+01 volume 0.36453E-03 ppm1 1.108 ppm2 0.222 CV 1 ASSI { 3888} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 54 and name HA )) 2.400 0.700 0.700 peak 3888 spectrum 1 weight 0.10000E+01 volume 0.48852E-02 ppm1 7.471 ppm2 4.846 CV 1 ASSI { 3889} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 10 and name HA1 )) 5.300 3.500 0.700 peak 3889 spectrum 1 weight 0.10000E+01 volume 0.18639E-03 ppm1 7.463 ppm2 4.062 CV 1 ASSI { 3890} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 50 and name HA )) 2.900 1.100 1.100 peak 3890 spectrum 1 weight 0.10000E+01 volume 0.24195E-02 ppm1 7.470 ppm2 3.958 CV 1 ASSI { 3892} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 53 and name HD1 )) 4.500 2.600 1.500 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.22264E-03 ppm1 7.469 ppm2 2.868 CV 1 ASSI { 3893} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 54 and name HB2 )) 2.200 0.600 0.600 peak 3893 spectrum 1 weight 0.10000E+01 volume 0.54233E-02 ppm1 7.470 ppm2 2.742 CV 1 ASSI { 3896} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 55 and name HN )) 4.900 3.000 1.100 peak 3896 spectrum 1 weight 0.10000E+01 volume 0.42886E-03 ppm1 7.471 ppm2 7.838 CV 1 ASSI { 3902} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 50 and name HB% ) 2.400 0.700 0.700 peak 3902 spectrum 1 weight 0.10000E+01 volume 0.33956E-02 ppm1 7.469 ppm2 1.507 CV 1 ASSI { 3905} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 14 and name HD1%) 2.900 2.900 3.100 peak 3905 spectrum 1 weight 0.10000E+01 volume 0.74697E-03 ppm1 7.472 ppm2 0.733 CV 1 ASSI { 3908} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 7 and name HG12)) 3.500 1.500 1.500 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.55974E-03 ppm1 7.466 ppm2 0.230 CV 1 ASSI { 3910} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 54 and name HE% ) 2.000 0.500 0.500 peak 3910 spectrum 1 weight 0.10000E+01 volume 0.87089E-02 ppm1 7.470 ppm2 7.126 CV 1 ASSI { 3917} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 54 and name HA )) 5.200 3.400 0.800 peak 3917 spectrum 1 weight 0.10000E+01 volume 0.33479E-03 ppm1 7.129 ppm2 4.848 CV 1 ASSI { 3925} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 11 and name HG )) 3.000 1.100 1.100 peak 3925 spectrum 1 weight 0.10000E+01 volume 0.99358E-03 ppm1 7.126 ppm2 1.986 CV 1 ASSI { 3932} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 7 and name HG12)) 3.500 1.500 1.500 peak 3932 spectrum 1 weight 0.10000E+01 volume 0.49072E-03 ppm1 7.128 ppm2 0.233 CV 1 ASSI { 3933} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 54 and name HD% ) 1.900 0.400 0.400 peak 3933 spectrum 1 weight 0.10000E+01 volume 0.12936E-01 ppm1 7.127 ppm2 7.468 CV 1 OR { 3933} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 54 and name HZ )) ASSI { 3934} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 11 and name HN )) 4.200 2.200 1.800 peak 3934 spectrum 1 weight 0.10000E+01 volume 0.52237E-03 ppm1 7.126 ppm2 9.243 CV 1 ASSI { 3940} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 11 and name HG )) 3.600 1.600 1.600 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.41236E-03 ppm1 7.463 ppm2 1.984 CV 1 ASSI { 3941} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 7 and name HG11)) 4.500 2.600 1.500 peak 3941 spectrum 1 weight 0.10000E+01 volume 0.35337E-03 ppm1 7.464 ppm2 1.550 CV 1 ASSI { 3942} (( segid " " and resid 54 and name HZ )) ( segid " " and resid 54 and name HE% ) 2.100 0.500 0.500 peak 3942 spectrum 1 weight 0.10000E+01 volume 0.71472E-02 ppm1 7.464 ppm2 7.127 CV 1 ASSI { 3945} (( segid " " and resid 54 and name HZ )) ( segid " " and resid 7 and name HG2%) 3.500 1.600 1.600 peak 3945 spectrum 1 weight 0.10000E+01 volume 0.52689E-03 ppm1 7.463 ppm2 0.560 CV 1 ASSI { 3946} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 11 and name HN )) 3.600 1.600 1.600 peak 3946 spectrum 1 weight 0.10000E+01 volume 0.53781E-03 ppm1 7.463 ppm2 9.233 CV 1 ASSI { 3950} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 59 and name HD2 )) 5.200 3.400 0.800 peak 3950 spectrum 1 weight 0.10000E+01 volume 0.26110E-03 ppm1 6.814 ppm2 3.823 CV 1 ASSI { 3952} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB1 )) 2.300 0.600 0.600 peak 3952 spectrum 1 weight 0.10000E+01 volume 0.59957E-02 ppm1 6.821 ppm2 3.111 CV 1 OR { 3952} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB2 )) ASSI { 3954} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 62 and name HB2 )) 3.600 1.600 1.600 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.67991E-03 ppm1 6.822 ppm2 2.414 CV 1 OR { 3954} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 62 and name HB1 )) ASSI { 3960} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 58 and name HA )) 4.600 2.700 1.400 peak 3960 spectrum 1 weight 0.10000E+01 volume 0.51611E-03 ppm1 6.826 ppm2 4.522 CV 1 ASSI { 3962} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 74 and name HN )) 5.300 3.500 0.700 peak 3962 spectrum 1 weight 0.10000E+01 volume 0.48556E-03 ppm1 6.822 ppm2 8.065 CV 1 ASSI { 3963} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HN )) 4.500 2.500 1.500 peak 3963 spectrum 1 weight 0.10000E+01 volume 0.80224E-03 ppm1 6.822 ppm2 7.942 CV 1 ASSI { 3964} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 79 and name HD2 )) 3.700 1.800 1.800 peak 3964 spectrum 1 weight 0.10000E+01 volume 0.45177E-03 ppm1 6.821 ppm2 7.011 CV 1 ASSI { 3967} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HN )) 6.000 4.700 0.000 peak 3967 spectrum 1 weight 0.10000E+01 volume 0.20194E-03 ppm1 6.549 ppm2 7.963 CV 1 ASSI { 3969} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 75 and name HD% ) 1.800 0.400 0.400 peak 3969 spectrum 1 weight 0.10000E+01 volume 0.26397E-01 ppm1 6.552 ppm2 6.819 CV 1 ASSI { 3971} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 57 and name HA )) 3.400 3.400 2.600 peak 3971 spectrum 1 weight 0.10000E+01 volume 0.29927E-03 ppm1 6.556 ppm2 4.762 CV 1 ASSI { 3974} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 59 and name HD2 )) 3.600 1.600 1.600 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.12815E-02 ppm1 6.552 ppm2 3.814 CV 1 ASSI { 3977} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HB1 )) 3.700 1.700 1.700 peak 3977 spectrum 1 weight 0.10000E+01 volume 0.21334E-02 ppm1 6.551 ppm2 3.115 CV 1 OR { 3977} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HB2 )) ASSI { 3981} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 58 and name HB )) 4.300 2.300 1.700 peak 3981 spectrum 1 weight 0.10000E+01 volume 0.81617E-03 ppm1 6.552 ppm2 1.679 CV 1 ASSI { 3982} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 58 and name HG11)) 2.600 0.900 0.900 peak 3982 spectrum 1 weight 0.10000E+01 volume 0.16806E-02 ppm1 6.552 ppm2 1.531 CV 1 ASSI { 3984} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 58 and name HB )) 5.500 3.700 0.500 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.22912E-03 ppm1 6.823 ppm2 1.660 CV 1 ASSI { 3989} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 66 and name HD1%) 3.200 1.300 1.300 peak 3989 spectrum 1 weight 0.10000E+01 volume 0.92534E-03 ppm1 6.824 ppm2 0.400 CV 1 ASSI { 3994} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 3994 spectrum 1 weight 0.10000E+01 volume 0.23752E-02 ppm1 6.549 ppm2 0.338 CV 1 ASSI { 3995} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 58 and name HG12)) 2.800 1.000 1.000 peak 3995 spectrum 1 weight 0.10000E+01 volume 0.39312E-02 ppm1 6.552 ppm2 0.855 CV 1 ASSI { 3999} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 27 and name HN )) 4.600 2.600 1.400 peak 3999 spectrum 1 weight 0.10000E+01 volume 0.49876E-03 ppm1 1.574 ppm2 6.345 CV 1 ASSI { 4000} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 27 and name HN )) 5.000 3.200 1.000 peak 4000 spectrum 1 weight 0.10000E+01 volume 0.43399E-03 ppm1 1.482 ppm2 6.344 CV 1 ASSI { 4001} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HN )) 4.800 2.900 1.200 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.30961E-03 ppm1 1.483 ppm2 7.510 CV 1 ASSI { 4008} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H38A)) 4.800 2.900 1.200 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.20664E-03 ppm1 4.154 ppm2 2.451 CV 1 OR { 4008} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H38B)) OR { 4008} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H38A)) OR { 4008} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H38B)) ASSI { 4013} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HN )) 2.500 0.800 0.800 peak 4013 spectrum 1 weight 0.10000E+01 volume 0.27318E-02 ppm1 1.686 ppm2 9.880 CV 1 ASSI { 4024} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 16 and name HN )) 5.800 4.300 0.200 peak 4024 spectrum 1 weight 0.10000E+01 volume 0.18101E-03 ppm1 1.687 ppm2 8.721 CV 1 ASSI { 4028} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 49 and name HB% ) 2.400 0.700 0.700 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.59025E-02 ppm1 1.067 ppm2 1.534 CV 1 ASSI { 4033} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.500 0.800 0.800 peak 4033 spectrum 1 weight 0.10000E+01 volume 0.48693E-02 ppm1 4.044 ppm2 9.247 CV 1 ASSI { 4034} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HN )) 5.300 3.500 0.700 peak 4034 spectrum 1 weight 0.10000E+01 volume 0.18421E-03 ppm1 4.041 ppm2 8.501 CV 1 ASSI { 4035} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 3.400 1.400 1.400 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.14042E-02 ppm1 4.044 ppm2 7.748 CV 1 ASSI { 4036} (( segid " " and resid 24 and name HA )) (( segid " " and resid 26 and name HN )) 3.700 1.700 1.700 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.10235E-02 ppm1 4.043 ppm2 7.489 CV 1 ASSI { 4037} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HA )) 4.300 2.300 1.700 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.47884E-03 ppm1 4.046 ppm2 4.606 CV 1 ASSI { 4038} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HA )) 3.900 1.900 1.900 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.55170E-03 ppm1 4.047 ppm2 3.610 CV 1 ASSI { 4040} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HB1 )) 5.600 3.900 0.400 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.25021E-03 ppm1 4.044 ppm2 2.695 CV 1 ASSI { 4041} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.100 0.600 0.600 peak 4041 spectrum 1 weight 0.10000E+01 volume 0.16590E-01 ppm1 4.044 ppm2 1.999 CV 1 OR { 4041} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) ASSI { 4044} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 27 and name HE2 )) 4.600 2.700 1.400 peak 4044 spectrum 1 weight 0.10000E+01 volume 0.24687E-03 ppm1 1.996 ppm2 3.062 CV 1 OR { 4044} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 27 and name HE2 )) OR { 4044} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 27 and name HE1 )) OR { 4044} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 27 and name HE1 )) ASSI { 4045} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HG1 )) 2.000 0.500 0.500 peak 4045 spectrum 1 weight 0.10000E+01 volume 0.23135E-01 ppm1 2.000 ppm2 2.282 CV 1 OR { 4045} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HG2 )) OR { 4045} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HG2 )) OR { 4045} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HG1 )) ASSI { 4050} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 23 and name HN )) 4.500 2.600 1.500 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.42589E-03 ppm1 1.997 ppm2 8.518 CV 1 OR { 4050} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 23 and name HN )) ASSI { 4051} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 22 and name HB2 )) 3.600 1.600 1.600 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.74967E-03 ppm1 2.284 ppm2 1.768 CV 1 OR { 4051} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 22 and name HB2 )) ASSI { 4052} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 25 and name HA )) 4.700 2.800 1.300 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.31979E-03 ppm1 2.287 ppm2 4.606 CV 1 OR { 4052} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 25 and name HA )) ASSI { 4053} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 26 and name HN )) 5.400 3.700 0.600 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.24229E-03 ppm1 2.290 ppm2 7.478 CV 1 OR { 4053} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 26 and name HN )) ASSI { 4054} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 4054 spectrum 1 weight 0.10000E+01 volume 0.30442E-02 ppm1 2.288 ppm2 9.246 CV 1 OR { 4054} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 24 and name HN )) ASSI { 4055} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 23 and name HN )) 4.400 2.400 1.600 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.33865E-03 ppm1 2.284 ppm2 8.504 CV 1 OR { 4055} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 23 and name HN )) ASSI { 4059} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 3.000 1.100 1.100 peak 4059 spectrum 1 weight 0.10000E+01 volume 0.24966E-02 ppm1 4.635 ppm2 1.534 CV 1 ASSI { 4061} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG1 )) 2.500 0.800 0.800 peak 4061 spectrum 1 weight 0.10000E+01 volume 0.46865E-02 ppm1 4.637 ppm2 1.338 CV 1 OR { 4061} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG2 )) ASSI { 4063} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) 2.400 0.700 0.700 peak 4063 spectrum 1 weight 0.10000E+01 volume 0.49177E-02 ppm1 4.635 ppm2 2.056 CV 1 ASSI { 4064} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HA )) 3.600 1.600 1.600 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.86879E-03 ppm1 4.638 ppm2 3.562 CV 1 ASSI { 4065} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.22608E-02 ppm1 4.636 ppm2 6.352 CV 1 ASSI { 4066} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) 2.500 0.800 0.800 peak 4066 spectrum 1 weight 0.10000E+01 volume 0.45142E-02 ppm1 4.634 ppm2 8.462 CV 1 ASSI { 4067} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HA )) 4.700 2.800 1.300 peak 4067 spectrum 1 weight 0.10000E+01 volume 0.26708E-03 ppm1 2.073 ppm2 3.580 CV 1 ASSI { 4068} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HE2 )) 4.600 2.600 1.400 peak 4068 spectrum 1 weight 0.10000E+01 volume 0.69755E-03 ppm1 2.062 ppm2 3.040 CV 1 OR { 4068} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HE1 )) ASSI { 4069} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HE1 )) 4.600 2.600 1.400 peak 4069 spectrum 1 weight 0.10000E+01 volume 0.66132E-03 ppm1 1.544 ppm2 3.034 CV 1 OR { 4069} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HE2 )) ASSI { 4070} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 30 and name HE2 )) 3.700 1.700 1.700 peak 4070 spectrum 1 weight 0.10000E+01 volume 0.66128E-03 ppm1 1.537 ppm2 2.977 CV 1 ASSI { 4071} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HG1 )) 2.300 0.700 0.700 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.80685E-02 ppm1 2.064 ppm2 1.338 CV 1 OR { 4071} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HG2 )) ASSI { 4072} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HG2 )) 2.100 0.500 0.500 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.95015E-02 ppm1 1.540 ppm2 1.338 CV 1 OR { 4072} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HG1 )) ASSI { 4079} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 26 and name HN )) 4.700 2.800 1.300 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.27632E-03 ppm1 1.538 ppm2 7.493 CV 1 ASSI { 4084} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 29 and name HN )) 3.300 1.400 1.400 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.91630E-03 ppm1 2.064 ppm2 8.378 CV 1 ASSI { 4087} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HG2 )) 2.500 0.800 0.800 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.52109E-02 ppm1 1.736 ppm2 1.340 CV 1 OR { 4087} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HG1 )) ASSI { 4088} (( segid " " and resid 27 and name HD1 )) (( segid " " and resid 27 and name HN )) 5.500 3.800 0.500 peak 4088 spectrum 1 weight 0.10000E+01 volume 0.18728E-03 ppm1 1.736 ppm2 6.364 CV 1 ASSI { 4089} (( segid " " and resid 27 and name HD2 )) (( segid " " and resid 27 and name HN )) 5.600 3.900 0.400 peak 4089 spectrum 1 weight 0.10000E+01 volume 0.14473E-03 ppm1 1.634 ppm2 6.358 CV 1 ASSI { 4091} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB1 )) 4.500 2.500 1.500 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.51557E-03 ppm1 4.485 ppm2 2.050 CV 1 OR { 4091} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI { 4093} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HN )) 2.800 1.000 1.000 peak 4093 spectrum 1 weight 0.10000E+01 volume 0.19400E-02 ppm1 4.487 ppm2 7.713 CV 1 ASSI { 4098} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 4.700 2.800 1.300 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.41725E-03 ppm1 2.599 ppm2 7.508 CV 1 ASSI { 4100} (( segid " " and resid 80 and name HA )) ( segid " " and resid 56 and name HG2%) 2.600 0.900 0.900 peak 4100 spectrum 1 weight 0.10000E+01 volume 0.40660E-02 ppm1 4.418 ppm2 0.955 CV 1 OR { 4100} (( segid " " and resid 80 and name HA )) ( segid " " and resid 56 and name HG1%) ASSI { 4101} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H42A)) 4.500 2.500 1.500 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.32133E-03 ppm1 1.123 ppm2 3.181 CV 1 OR { 4101} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H42B)) ASSI { 4104} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H3A )) 3.900 1.900 1.900 peak 4104 spectrum 1 weight 0.10000E+01 volume 0.52196E-03 ppm1 1.595 ppm2 1.159 CV 1 OR { 4104} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H3B )) ASSI { 4106} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H3A )) 3.600 1.700 1.700 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.48158E-03 ppm1 1.592 ppm2 1.226 CV 1 ASSI { 4109} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 2.400 0.700 0.700 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.24187E-02 ppm1 4.439 ppm2 8.551 CV 1 ASSI { 4111} (( segid " " and resid 3 and name HA )) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.94928E-03 ppm1 4.440 ppm2 8.862 CV 1 ASSI { 4112} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.300 0.700 0.700 peak 4112 spectrum 1 weight 0.10000E+01 volume 0.71892E-02 ppm1 4.440 ppm2 9.235 CV 1 ASSI { 4114} (( segid " " and resid 3 and name HA )) (( segid " " and resid 6 and name HN )) 4.300 2.300 1.700 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.47130E-03 ppm1 4.441 ppm2 7.688 CV 1 ASSI { 4115} (( segid " " and resid 3 and name HA )) (( segid " " and resid 2 and name HA )) 3.900 1.900 1.900 peak 4115 spectrum 1 weight 0.10000E+01 volume 0.72162E-03 ppm1 4.439 ppm2 4.836 CV 1 ASSI { 4116} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB1 )) 4.300 2.300 1.700 peak 4116 spectrum 1 weight 0.10000E+01 volume 0.13841E-02 ppm1 4.439 ppm2 2.198 CV 1 ASSI { 4117} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB2 )) 4.100 2.100 1.900 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 4.439 ppm2 2.044 CV 1 ASSI { 4119} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HG2%) 2.300 0.600 0.600 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.93165E-02 ppm1 4.440 ppm2 1.363 CV 1 ASSI { 4121} (( segid " " and resid 3 and name HA )) ( segid " " and resid 77 and name HD2%) 2.700 0.900 0.900 peak 4121 spectrum 1 weight 0.10000E+01 volume 0.20603E-02 ppm1 4.439 ppm2 0.823 CV 1 OR { 4121} (( segid " " and resid 3 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 4123} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HB )) 2.200 0.600 0.600 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.90840E-02 ppm1 1.365 ppm2 4.723 CV 1 ASSI { 4125} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HA )) 5.500 3.700 0.500 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.34459E-03 ppm1 1.359 ppm2 4.156 CV 1 ASSI { 4126} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 4 and name HN )) 4.500 2.500 1.500 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.12859E-02 ppm1 1.366 ppm2 9.232 CV 1 ASSI { 4127} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 2 and name HN )) 4.000 2.000 2.000 peak 4127 spectrum 1 weight 0.10000E+01 volume 0.59395E-03 ppm1 1.365 ppm2 8.855 CV 1 ASSI { 4129} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HN )) 2.400 0.700 0.700 peak 4129 spectrum 1 weight 0.10000E+01 volume 0.59258E-02 ppm1 1.366 ppm2 8.552 CV 1 ASSI { 4130} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HN )) 4.800 2.800 1.200 peak 4130 spectrum 1 weight 0.10000E+01 volume 0.63602E-03 ppm1 1.362 ppm2 7.692 CV 1 ASSI { 4133} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 5 and name HB1 )) 5.300 3.500 0.700 peak 4133 spectrum 1 weight 0.10000E+01 volume 0.48167E-03 ppm1 1.368 ppm2 2.098 CV 1 ASSI { 4134} ( segid " " and resid 38 and name HG1%) ( segid " " and resid 32 and name HD% ) 3.100 1.200 1.200 peak 4134 spectrum 1 weight 0.10000E+01 volume 0.33939E-02 ppm1 0.945 ppm2 7.191 CV 1 OR { 4134} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 32 and name HD% ) ASSI { 4135} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 2.300 0.600 0.600 peak 4135 spectrum 1 weight 0.10000E+01 volume 0.65680E-02 ppm1 0.947 ppm2 8.088 CV 1 OR { 4135} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 38 and name HN )) ASSI { 4136} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 37 and name HN )) 4.200 2.200 1.800 peak 4136 spectrum 1 weight 0.10000E+01 volume 0.64648E-03 ppm1 0.943 ppm2 7.337 CV 1 ASSI { 4140} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HE22)) 5.500 3.800 0.500 peak 4140 spectrum 1 weight 0.10000E+01 volume 0.38865E-03 ppm1 2.042 ppm2 7.513 CV 1 ASSI { 4141} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 54 and name HB1 )) 4.900 3.000 1.100 peak 4141 spectrum 1 weight 0.10000E+01 volume 0.24865E-03 ppm1 1.572 ppm2 3.438 CV 1 ASSI { 4143} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HN )) 4.300 2.300 1.700 peak 4143 spectrum 1 weight 0.10000E+01 volume 0.31705E-03 ppm1 3.709 ppm2 8.513 CV 1 ASSI { 4144} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HB )) 5.300 3.500 0.700 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.34543E-03 ppm1 3.701 ppm2 4.721 CV 1 ASSI { 4147} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HE21)) 4.600 2.700 1.400 peak 4147 spectrum 1 weight 0.10000E+01 volume 0.33406E-03 ppm1 2.229 ppm2 6.834 CV 1 ASSI { 4148} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HE21)) 3.200 1.300 1.300 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.32384E-03 ppm1 2.156 ppm2 6.832 CV 1 ASSI { 4152} (( segid " " and resid 6 and name HG2 )) ( segid " " and resid 3 and name HG2%) 4.700 2.800 1.300 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.33386E-03 ppm1 2.377 ppm2 1.367 CV 1 ASSI { 4153} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 7 and name HG11)) 4.600 2.700 1.400 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.73834E-03 ppm1 2.378 ppm2 1.556 CV 1 ASSI { 4154} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 2 and name HA )) 4.000 2.000 2.000 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.62263E-03 ppm1 2.498 ppm2 4.829 CV 1 ASSI { 4158} (( segid " " and resid 8 and name HB )) ( segid " " and resid 7 and name HG2%) 4.800 2.900 1.200 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.44511E-03 ppm1 2.019 ppm2 0.563 CV 1 ASSI { 4160} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 6 and name HA )) 2.600 0.800 0.800 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.57157E-02 ppm1 1.521 ppm2 4.139 CV 1 ASSI { 4168} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 44 and name HA )) 3.100 1.200 1.200 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.22210E-02 ppm1 0.905 ppm2 3.588 CV 1 ASSI { 4169} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name H28A)) 3.900 1.900 1.900 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.86317E-03 ppm1 0.906 ppm2 3.746 CV 1 ASSI { 4170} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name H28B)) 5.000 3.100 1.000 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.28443E-03 ppm1 1.726 ppm2 3.428 CV 1 ASSI { 4178} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 76 and name HD1%) 2.800 1.000 1.000 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.16955E-02 ppm1 0.535 ppm2 0.639 CV 1 ASSI { 4182} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HA )) 2.900 1.100 1.100 peak 4182 spectrum 1 weight 0.10000E+01 volume 0.24812E-02 ppm1 1.450 ppm2 3.975 CV 1 ASSI { 4183} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HN )) 3.600 1.600 1.600 peak 4183 spectrum 1 weight 0.10000E+01 volume 0.76227E-03 ppm1 1.450 ppm2 8.371 CV 1 ASSI { 4184} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name HA )) 3.200 1.200 1.200 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.13451E-02 ppm1 1.455 ppm2 4.148 CV 1 ASSI { 4185} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 33 and name HA )) 3.300 3.300 2.700 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.37676E-03 ppm1 1.453 ppm2 4.486 CV 1 ASSI { 4187} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H28A)) 3.200 3.200 2.800 peak 4187 spectrum 1 weight 0.10000E+01 volume 0.42961E-03 ppm1 1.453 ppm2 3.745 CV 1 ASSI { 4189} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H28B)) 3.000 3.000 3.000 peak 4189 spectrum 1 weight 0.10000E+01 volume 0.61514E-03 ppm1 1.452 ppm2 3.436 CV 1 ASSI { 4190} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HG1 )) 2.300 0.700 0.700 peak 4190 spectrum 1 weight 0.10000E+01 volume 0.86518E-02 ppm1 1.450 ppm2 2.286 CV 1 OR { 4190} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HG2 )) ASSI { 4193} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H43A)) 3.000 1.100 1.100 peak 4193 spectrum 1 weight 0.10000E+01 volume 0.13844E-02 ppm1 1.451 ppm2 2.813 CV 1 OR { 4193} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H43B)) ASSI { 4198} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 32 and name HD% ) 3.000 1.100 1.100 peak 4198 spectrum 1 weight 0.10000E+01 volume 0.16125E-02 ppm1 1.450 ppm2 7.190 CV 1 ASSI { 4200} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 32 and name HE% ) 3.300 1.300 1.300 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 1.450 ppm2 6.987 CV 1 ASSI { 4201} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 32 and name HZ )) 3.000 3.000 3.000 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.56430E-03 ppm1 1.451 ppm2 6.850 CV 1 ASSI { 4204} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H3B )) 2.600 0.900 0.900 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.16779E-02 ppm1 1.449 ppm2 1.104 CV 1 ASSI { 5} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HG1 )) 4.900 3.000 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.41707E-03 ppm1 8.389 ppm2 1.808 CV 1 ASSI { 6} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HD2 )) 5.300 3.500 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.13886E-03 ppm1 8.390 ppm2 1.647 CV 1 ASSI { 8} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 8.379 ppm2 1.521 CV 1 ASSI { 9} (( segid " " and resid 29 and name HN )) ( segid " " and resid 68 and name HG2%) 5.400 3.700 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.17222E-03 ppm1 8.380 ppm2 1.068 CV 1 ASSI { 10} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD2%) 4.900 3.000 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.41944E-03 ppm1 8.386 ppm2 0.908 CV 1 ASSI { 11} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HE2 )) 5.300 3.500 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.12551E-03 ppm1 8.388 ppm2 2.940 CV 1 ASSI { 12} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.18257E-02 ppm1 8.385 ppm2 2.780 CV 1 ASSI { 13} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 2.900 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.24356E-02 ppm1 8.386 ppm2 2.593 CV 1 ASSI { 17} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.000 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.24494E-02 ppm1 8.386 ppm2 1.736 CV 1 ASSI { 18} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.600 1.600 1.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.14337E-02 ppm1 8.386 ppm2 1.465 CV 1 ASSI { 19} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.900 1.900 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.62633E-03 ppm1 8.388 ppm2 1.372 CV 1 ASSI { 20} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HG2 )) 4.500 2.600 1.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.98865E-03 ppm1 8.389 ppm2 1.340 CV 1 OR { 20} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HG1 )) ASSI { 21} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 3.400 1.400 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.86651E-03 ppm1 8.386 ppm2 3.580 CV 1 ASSI { 23} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 2.600 0.800 0.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.31736E-02 ppm1 8.387 ppm2 7.500 CV 1 ASSI { 27} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 2.600 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.21809E-02 ppm1 8.389 ppm2 8.467 CV 1 ASSI { 35} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.900 1.900 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.11958E-02 ppm1 7.837 ppm2 3.255 CV 1 ASSI { 43} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.84655E-03 ppm1 7.837 ppm2 4.123 CV 1 ASSI { 44} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.100 0.600 0.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.10124E-01 ppm1 7.837 ppm2 4.490 CV 1 ASSI { 47} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.500 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 7.838 ppm2 4.846 CV 1 ASSI { 56} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 2.300 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.37277E-02 ppm1 7.837 ppm2 8.127 CV 1 ASSI { 60} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12509E-02 ppm1 8.840 ppm2 4.821 CV 1 ASSI { 65} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.38687E-02 ppm1 8.841 ppm2 4.031 CV 1 ASSI { 71} (( segid " " and resid 2 and name HN )) (( segid " " and resid 80 and name HG2 )) 5.100 3.300 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.21812E-03 ppm1 8.841 ppm2 2.584 CV 1 ASSI { 79} (( segid " " and resid 2 and name HN )) ( segid " " and resid 77 and name HD2%) 4.800 2.900 1.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.19340E-03 ppm1 8.838 ppm2 0.821 CV 1 OR { 79} (( segid " " and resid 2 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 83} (( segid " " and resid 2 and name HN )) (( segid " " and resid 80 and name HE22)) 3.800 1.800 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.60313E-03 ppm1 8.843 ppm2 7.740 CV 1 ASSI { 84} (( segid " " and resid 2 and name HN )) (( segid " " and resid 80 and name HE21)) 3.500 1.600 1.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.13328E-02 ppm1 8.842 ppm2 7.652 CV 1 ASSI { 86} (( segid " " and resid 2 and name HN )) ( segid " " and resid 54 and name HD% ) 5.200 3.400 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.18156E-03 ppm1 8.844 ppm2 7.473 CV 1 OR { 86} (( segid " " and resid 2 and name HN )) (( segid " " and resid 54 and name HZ )) ASSI { 89} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.200 0.600 0.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.74523E-02 ppm1 8.552 ppm2 4.828 CV 1 ASSI { 90} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 3.800 1.800 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.55992E-03 ppm1 8.547 ppm2 4.715 CV 1 ASSI { 97} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HA )) 5.600 3.900 0.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.30973E-03 ppm1 8.549 ppm2 4.136 CV 1 ASSI { 100} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HB1 )) 1.900 0.400 0.400 peak 100 spectrum 1 weight 0.10000E+01 volume 0.34299E-02 ppm1 8.552 ppm2 2.495 CV 1 ASSI { 101} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HG2 )) 3.800 1.800 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 8.552 ppm2 2.386 CV 1 OR { 101} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HG1 )) ASSI { 105} (( segid " " and resid 3 and name HN )) ( segid " " and resid 77 and name HD2%) 4.800 2.900 1.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.16776E-03 ppm1 8.553 ppm2 0.815 CV 1 OR { 105} (( segid " " and resid 3 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 107} (( segid " " and resid 3 and name HN )) (( segid " " and resid 7 and name HG12)) 6.000 4.500 0.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.12671E-03 ppm1 8.551 ppm2 0.243 CV 1 ASSI { 108} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 4.600 2.600 1.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.24544E-03 ppm1 8.549 ppm2 9.249 CV 1 ASSI { 122} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.500 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.38739E-02 ppm1 9.236 ppm2 2.177 CV 1 OR { 122} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HG2 )) ASSI { 123} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.29519E-02 ppm1 9.237 ppm2 2.035 CV 1 ASSI { 126} (( segid " " and resid 4 and name HN )) (( segid " " and resid 77 and name HB2 )) 5.600 3.900 0.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16704E-03 ppm1 9.239 ppm2 1.635 CV 1 OR { 126} (( segid " " and resid 4 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 134} (( segid " " and resid 4 and name HN )) ( segid " " and resid 77 and name HD2%) 3.400 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.17692E-02 ppm1 9.235 ppm2 0.823 CV 1 OR { 134} (( segid " " and resid 4 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 139} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB )) 2.100 0.500 0.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.37123E-02 ppm1 9.236 ppm2 4.723 CV 1 ASSI { 142} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.15034E-02 ppm1 9.234 ppm2 8.865 CV 1 ASSI { 145} (( segid " " and resid 4 and name HN )) (( segid " " and resid 6 and name HN )) 4.200 2.200 1.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.35404E-03 ppm1 9.236 ppm2 7.691 CV 1 ASSI { 155} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HN )) 3.900 1.900 1.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.15638E-02 ppm1 8.865 ppm2 8.587 CV 1 ASSI { 160} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.28740E-02 ppm1 8.865 ppm2 7.693 CV 1 ASSI { 163} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HB )) 3.300 1.400 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.17908E-02 ppm1 8.863 ppm2 4.722 CV 1 ASSI { 167} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG1 )) 5.800 4.300 0.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.26194E-03 ppm1 8.865 ppm2 2.406 CV 1 OR { 167} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG2 )) ASSI { 168} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG2 )) 3.500 1.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.17313E-02 ppm1 8.864 ppm2 2.318 CV 1 ASSI { 172} (( segid " " and resid 5 and name HN )) ( segid " " and resid 3 and name HG2%) 5.200 3.300 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.47788E-03 ppm1 8.862 ppm2 1.367 CV 1 ASSI { 174} (( segid " " and resid 5 and name HN )) ( segid " " and resid 8 and name HG2%) 4.900 3.000 1.100 peak 174 spectrum 1 weight 0.10000E+01 volume 0.34049E-03 ppm1 8.860 ppm2 1.050 CV 1 ASSI { 175} (( segid " " and resid 5 and name HN )) ( segid " " and resid 77 and name HD2%) 5.200 3.400 0.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.32771E-03 ppm1 8.857 ppm2 0.819 CV 1 OR { 175} (( segid " " and resid 5 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 179} (( segid " " and resid 6 and name HN )) ( segid " " and resid 8 and name HG2%) 5.300 3.600 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.14338E-03 ppm1 7.689 ppm2 1.046 CV 1 ASSI { 182} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG1 )) 3.500 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.33461E-02 ppm1 7.694 ppm2 2.420 CV 1 OR { 182} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG2 )) ASSI { 183} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HB1 )) 5.500 3.800 0.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.19425E-03 ppm1 7.689 ppm2 2.216 CV 1 OR { 183} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HG1 )) ASSI { 190} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG12)) 6.000 5.900 0.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.15582E-03 ppm1 7.690 ppm2 0.230 CV 1 ASSI { 191} (( segid " " and resid 6 and name HN )) (( segid " " and resid 2 and name HA )) 6.000 4.800 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.22370E-03 ppm1 7.695 ppm2 4.818 CV 1 ASSI { 192} (( segid " " and resid 6 and name HN )) (( segid " " and resid 3 and name HB )) 4.300 2.300 1.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.44477E-03 ppm1 7.695 ppm2 4.720 CV 1 ASSI { 208} (( segid " " and resid 6 and name HN )) (( segid " " and resid 3 and name HN )) 3.800 1.800 1.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.79781E-03 ppm1 7.695 ppm2 8.555 CV 1 ASSI { 223} (( segid " " and resid 7 and name HN )) (( segid " " and resid 54 and name HZ )) 5.600 3.900 0.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.19034E-03 ppm1 8.396 ppm2 7.457 CV 1 ASSI { 224} (( segid " " and resid 7 and name HN )) ( segid " " and resid 54 and name HE% ) 4.800 2.900 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.24989E-03 ppm1 8.402 ppm2 7.128 CV 1 ASSI { 239} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HA )) 4.900 3.000 1.100 peak 239 spectrum 1 weight 0.10000E+01 volume 0.27594E-03 ppm1 8.403 ppm2 3.387 CV 1 ASSI { 242} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB1 )) 2.300 2.300 3.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 8.399 ppm2 2.491 CV 1 ASSI { 243} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG1 )) 4.400 2.400 1.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.54571E-03 ppm1 8.400 ppm2 2.388 CV 1 OR { 243} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG2 )) ASSI { 245} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 3.400 1.500 1.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.12829E-02 ppm1 8.399 ppm2 2.112 CV 1 ASSI { 249} (( segid " " and resid 7 and name HN )) (( segid " " and resid 77 and name HB2 )) 5.500 3.800 0.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.24468E-03 ppm1 8.403 ppm2 1.692 CV 1 ASSI { 250} (( segid " " and resid 7 and name HN )) (( segid " " and resid 77 and name HB2 )) 6.000 4.500 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.15639E-03 ppm1 8.404 ppm2 1.626 CV 1 OR { 250} (( segid " " and resid 7 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 252} (( segid " " and resid 7 and name HN )) ( segid " " and resid 3 and name HG2%) 6.000 4.800 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.14733E-03 ppm1 8.395 ppm2 1.374 CV 1 ASSI { 255} (( segid " " and resid 7 and name HN )) ( segid " " and resid 73 and name HG2%) 4.300 2.300 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.55987E-03 ppm1 8.401 ppm2 1.105 CV 1 ASSI { 256} (( segid " " and resid 7 and name HN )) ( segid " " and resid 8 and name HG2%) 4.400 2.400 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.48601E-03 ppm1 8.401 ppm2 1.039 CV 1 ASSI { 264} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HG12)) 5.500 3.800 0.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.24196E-03 ppm1 8.392 ppm2 0.231 CV 1 ASSI { 266} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HG2%) 2.300 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.68759E-02 ppm1 8.391 ppm2 1.044 CV 1 ASSI { 270} (( segid " " and resid 8 and name HN )) ( segid " " and resid 9 and name HB% ) 4.200 2.300 1.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.12937E-02 ppm1 8.390 ppm2 1.529 CV 1 ASSI { 275} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.30265E-02 ppm1 8.391 ppm2 3.385 CV 1 ASSI { 281} (( segid " " and resid 8 and name HN )) (( segid " " and resid 3 and name HN )) 3.700 1.700 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.21578E-02 ppm1 8.389 ppm2 8.569 CV 1 ASSI { 285} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 4.600 2.600 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.51954E-03 ppm1 7.730 ppm2 9.240 CV 1 ASSI { 286} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HN )) 5.300 3.500 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.14183E-03 ppm1 7.743 ppm2 8.957 CV 1 ASSI { 295} (( segid " " and resid 9 and name HN )) (( segid " " and resid 13 and name HN )) 3.300 3.300 2.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.30509E-02 ppm1 7.728 ppm2 7.911 CV 1 ASSI { 297} (( segid " " and resid 9 and name HN )) ( segid " " and resid 54 and name HE% ) 5.000 3.100 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.34268E-03 ppm1 7.728 ppm2 7.121 CV 1 ASSI { 302} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 3.100 3.100 2.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.20212E-02 ppm1 7.729 ppm2 7.653 CV 1 ASSI { 303} (( segid " " and resid 9 and name HN )) (( segid " " and resid 4 and name HE22)) 3.800 3.800 2.200 peak 303 spectrum 1 weight 0.10000E+01 volume 0.27229E-02 ppm1 7.729 ppm2 7.547 CV 1 ASSI { 309} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.14267E-02 ppm1 7.731 ppm2 4.132 CV 1 ASSI { 310} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HA1 )) 5.300 3.500 0.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.30780E-03 ppm1 7.728 ppm2 4.047 CV 1 ASSI { 314} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HG2%) 4.200 2.200 1.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.10872E-02 ppm1 7.728 ppm2 1.044 CV 1 ASSI { 326} (( segid " " and resid 9 and name HN )) ( segid " " and resid 12 and name HB% ) 4.400 2.500 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.43865E-03 ppm1 7.729 ppm2 1.684 CV 1 ASSI { 331} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB1 )) 4.400 2.400 1.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.23360E-03 ppm1 7.731 ppm2 2.497 CV 1 ASSI { 332} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HG1 )) 4.800 2.900 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.18423E-03 ppm1 7.730 ppm2 2.428 CV 1 ASSI { 338} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HG1 )) 6.000 5.300 0.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.10753E-03 ppm1 8.393 ppm2 2.623 CV 1 ASSI { 342} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 5.200 3.400 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.51493E-03 ppm1 8.391 ppm2 2.113 CV 1 ASSI { 347} (( segid " " and resid 10 and name HN )) ( segid " " and resid 12 and name HB% ) 4.700 2.800 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.31577E-03 ppm1 8.391 ppm2 1.690 CV 1 ASSI { 352} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) 5.300 3.600 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.22685E-03 ppm1 8.390 ppm2 1.266 CV 1 ASSI { 365} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HA )) 4.100 2.100 1.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.35210E-03 ppm1 8.386 ppm2 3.381 CV 1 ASSI { 368} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HN )) 3.900 1.900 1.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.66681E-03 ppm1 8.390 ppm2 7.911 CV 1 ASSI { 370} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 2.400 0.700 0.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.36275E-02 ppm1 8.390 ppm2 7.728 CV 1 ASSI { 373} (( segid " " and resid 10 and name HN )) (( segid " " and resid 54 and name HZ )) 3.700 1.700 1.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.74364E-03 ppm1 8.389 ppm2 7.469 CV 1 ASSI { 375} (( segid " " and resid 10 and name HN )) ( segid " " and resid 54 and name HE% ) 4.600 2.700 1.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.45682E-03 ppm1 8.390 ppm2 7.131 CV 1 ASSI { 378} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.300 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.38071E-02 ppm1 8.390 ppm2 9.234 CV 1 ASSI { 381} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HN )) 4.200 2.300 1.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.52781E-03 ppm1 8.392 ppm2 8.910 CV 1 ASSI { 387} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.400 0.700 0.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.40007E-02 ppm1 9.234 ppm2 8.916 CV 1 ASSI { 396} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HN )) 4.000 2.000 2.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.46495E-03 ppm1 9.235 ppm2 7.924 CV 1 ASSI { 400} (( segid " " and resid 11 and name HN )) (( segid " " and resid 54 and name HZ )) 3.400 1.400 1.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.86824E-03 ppm1 9.234 ppm2 7.470 CV 1 OR { 400} (( segid " " and resid 11 and name HN )) ( segid " " and resid 54 and name HD% ) ASSI { 420} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.100 1.200 1.200 peak 420 spectrum 1 weight 0.10000E+01 volume 0.46098E-02 ppm1 9.235 ppm2 2.118 CV 1 ASSI { 421} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG )) 2.400 0.700 0.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.36990E-02 ppm1 9.235 ppm2 1.986 CV 1 ASSI { 427} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 2.400 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.22843E-02 ppm1 9.235 ppm2 1.268 CV 1 ASSI { 435} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) 3.900 1.900 1.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.67197E-03 ppm1 9.236 ppm2 0.557 CV 1 ASSI { 440} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 3.200 1.300 1.300 peak 440 spectrum 1 weight 0.10000E+01 volume 0.24237E-02 ppm1 8.923 ppm2 2.119 CV 1 ASSI { 452} (( segid " " and resid 12 and name HN )) ( segid " " and resid 69 and name HG2%) 5.400 3.600 0.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.36978E-03 ppm1 8.920 ppm2 0.636 CV 1 ASSI { 453} (( segid " " and resid 12 and name HN )) ( segid " " and resid 7 and name HG2%) 5.500 3.800 0.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.19082E-03 ppm1 8.920 ppm2 0.556 CV 1 ASSI { 472} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HN )) 3.700 1.700 1.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.58427E-03 ppm1 8.920 ppm2 8.191 CV 1 ASSI { 474} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HG1 )) 5.400 3.700 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.16810E-03 ppm1 8.921 ppm2 2.626 CV 1 ASSI { 487} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG1 )) 3.000 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.31424E-02 ppm1 7.927 ppm2 2.616 CV 1 ASSI { 499} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.40008E-02 ppm1 7.927 ppm2 8.182 CV 1 ASSI { 507} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.35304E-02 ppm1 7.927 ppm2 8.921 CV 1 ASSI { 511} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.43523E-03 ppm1 8.183 ppm2 9.404 CV 1 ASSI { 515} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.28391E-02 ppm1 8.183 ppm2 8.638 CV 1 ASSI { 516} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HN )) 3.800 3.800 2.200 peak 516 spectrum 1 weight 0.10000E+01 volume 0.12398E-02 ppm1 8.181 ppm2 8.535 CV 1 ASSI { 517} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 2.500 0.800 0.800 peak 517 spectrum 1 weight 0.10000E+01 volume 0.36073E-02 ppm1 8.183 ppm2 8.341 CV 1 ASSI { 520} (( segid " " and resid 57 and name HN )) ( segid " " and resid 54 and name HD% ) 4.400 2.400 1.600 peak 520 spectrum 1 weight 0.10000E+01 volume 0.73185E-03 ppm1 8.184 ppm2 7.453 CV 1 ASSI { 522} (( segid " " and resid 72 and name HN )) ( segid " " and resid 32 and name HD% ) 3.700 1.700 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.18195E-03 ppm1 8.183 ppm2 7.188 CV 1 ASSI { 523} (( segid " " and resid 72 and name HN )) ( segid " " and resid 32 and name HE% ) 3.800 1.800 1.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.76698E-03 ppm1 8.183 ppm2 6.989 CV 1 ASSI { 529} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA1 )) 4.700 2.800 1.300 peak 529 spectrum 1 weight 0.10000E+01 volume 0.32449E-03 ppm1 8.183 ppm2 4.013 CV 1 ASSI { 532} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA2 )) 4.200 2.200 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.46961E-03 ppm1 8.183 ppm2 3.787 CV 1 ASSI { 533} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) 4.100 2.100 1.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.90045E-03 ppm1 8.182 ppm2 3.650 CV 1 ASSI { 536} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.16619E-02 ppm1 8.183 ppm2 4.500 CV 1 ASSI { 537} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 5.700 4.000 0.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.26200E-03 ppm1 8.190 ppm2 4.844 CV 1 ASSI { 538} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.600 0.800 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.54914E-02 ppm1 8.188 ppm2 4.680 CV 1 ASSI { 539} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 2.800 1.000 1.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.11662E-02 ppm1 8.183 ppm2 3.385 CV 1 ASSI { 541} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 2.300 0.600 0.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.31319E-02 ppm1 8.183 ppm2 3.117 CV 1 ASSI { 542} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HE2 )) 5.200 3.300 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18207E-03 ppm1 8.179 ppm2 3.022 CV 1 OR { 542} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HE1 )) ASSI { 543} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.400 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.19781E-02 ppm1 8.183 ppm2 2.921 CV 1 ASSI { 547} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HB )) 4.300 2.400 1.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.44437E-03 ppm1 8.180 ppm2 2.286 CV 1 ASSI { 549} (( segid " " and resid 72 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.300 1.300 1.300 peak 549 spectrum 1 weight 0.10000E+01 volume 0.42373E-03 ppm1 8.183 ppm2 2.148 CV 1 ASSI { 552} (( segid " " and resid 72 and name HN )) (( segid " " and resid 66 and name HG )) 6.000 4.900 0.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.17128E-03 ppm1 8.183 ppm2 1.834 CV 1 ASSI { 559} (( segid " " and resid 72 and name HN )) ( segid " " and resid 73 and name HG2%) 5.000 3.100 1.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.45166E-03 ppm1 8.184 ppm2 1.087 CV 1 ASSI { 561} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG1 )) 4.000 2.000 2.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.12016E-02 ppm1 8.188 ppm2 1.364 CV 1 ASSI { 564} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HG1%) 2.800 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.26431E-02 ppm1 8.188 ppm2 0.938 CV 1 ASSI { 577} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HG1 )) 6.000 4.400 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.86893E-04 ppm1 8.808 ppm2 2.417 CV 1 ASSI { 581} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG11)) 4.300 2.400 1.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.62373E-03 ppm1 8.810 ppm2 2.000 CV 1 ASSI { 590} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HB2 )) 4.800 2.800 1.200 peak 590 spectrum 1 weight 0.10000E+01 volume 0.37013E-03 ppm1 8.811 ppm2 1.267 CV 1 ASSI { 592} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HG2%) 3.400 1.500 1.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.21549E-02 ppm1 8.811 ppm2 1.074 CV 1 OR { 592} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 597} (( segid " " and resid 15 and name HN )) ( segid " " and resid 46 and name HG1%) 4.400 2.400 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.43893E-03 ppm1 8.810 ppm2 0.665 CV 1 ASSI { 604} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.28936E-02 ppm1 8.811 ppm2 8.177 CV 1 ASSI { 606} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HN )) 4.300 2.300 1.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.42939E-03 ppm1 8.815 ppm2 7.927 CV 1 ASSI { 611} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HN )) 3.400 1.500 1.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.14977E-02 ppm1 8.810 ppm2 8.903 CV 1 ASSI { 616} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.29180E-02 ppm1 8.694 ppm2 8.360 CV 1 ASSI { 619} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HD22)) 4.000 2.000 2.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.62784E-03 ppm1 8.692 ppm2 8.077 CV 1 ASSI { 620} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HN )) 4.200 2.200 1.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.47103E-03 ppm1 8.694 ppm2 7.943 CV 1 ASSI { 629} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.200 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.52205E-02 ppm1 8.694 ppm2 8.805 CV 1 ASSI { 635} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA )) 4.100 2.100 1.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.34528E-03 ppm1 8.693 ppm2 3.826 CV 1 ASSI { 646} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.55384E-02 ppm1 8.694 ppm2 2.750 CV 1 ASSI { 650} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG1 )) 5.200 3.400 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.27812E-03 ppm1 8.692 ppm2 2.425 CV 1 ASSI { 669} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.400 0.700 0.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.42147E-02 ppm1 8.362 ppm2 2.139 CV 1 ASSI { 681} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 681 spectrum 1 weight 0.10000E+01 volume 0.33132E-02 ppm1 8.368 ppm2 1.949 CV 1 ASSI { 684} (( segid " " and resid 43 and name HN )) (( segid " " and resid 60 and name HB2 )) 5.300 3.500 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.24366E-03 ppm1 8.364 ppm2 2.649 CV 1 OR { 684} (( segid " " and resid 43 and name HN )) (( segid " " and resid 60 and name HB1 )) ASSI { 686} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.800 1.800 1.800 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14390E-02 ppm1 8.363 ppm2 3.107 CV 1 ASSI { 700} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HD21)) 5.200 3.400 0.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.24199E-03 ppm1 8.361 ppm2 6.845 CV 1 ASSI { 701} (( segid " " and resid 17 and name HN )) (( segid " " and resid 21 and name HN )) 5.000 3.100 1.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.21067E-03 ppm1 8.366 ppm2 6.461 CV 1 ASSI { 703} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 2.600 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.22474E-02 ppm1 8.369 ppm2 7.266 CV 1 ASSI { 704} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.200 0.600 0.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.59125E-02 ppm1 8.362 ppm2 8.204 CV 1 ASSI { 708} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 708 spectrum 1 weight 0.10000E+01 volume 0.10733E-02 ppm1 8.363 ppm2 8.802 CV 1 ASSI { 715} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HA )) 4.500 2.500 1.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.34062E-03 ppm1 8.202 ppm2 3.837 CV 1 ASSI { 718} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12272E-02 ppm1 8.202 ppm2 3.596 CV 1 ASSI { 720} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB1 )) 6.000 5.200 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.10110E-03 ppm1 8.198 ppm2 3.104 CV 1 ASSI { 721} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB2 )) 5.600 3.900 0.400 peak 721 spectrum 1 weight 0.10000E+01 volume 0.15272E-03 ppm1 8.198 ppm2 2.739 CV 1 ASSI { 722} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG1 )) 5.500 3.800 0.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.32735E-03 ppm1 8.204 ppm2 2.429 CV 1 ASSI { 730} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HG11)) 1.900 0.500 0.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.98043E-02 ppm1 8.203 ppm2 1.635 CV 1 OR { 730} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB )) ASSI { 735} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HG2%) 5.300 3.500 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.23127E-03 ppm1 8.203 ppm2 1.168 CV 1 ASSI { 736} (( segid " " and resid 18 and name HN )) ( segid " " and resid 14 and name HG2%) 4.100 2.100 1.900 peak 736 spectrum 1 weight 0.10000E+01 volume 0.57842E-03 ppm1 8.206 ppm2 1.060 CV 1 OR { 736} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 742} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HN )) 3.800 1.800 1.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.42779E-03 ppm1 8.202 ppm2 7.831 CV 1 ASSI { 747} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HN )) 5.800 4.200 0.200 peak 747 spectrum 1 weight 0.10000E+01 volume 0.11921E-03 ppm1 8.198 ppm2 6.471 CV 1 ASSI { 748} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA )) 5.600 4.000 0.400 peak 748 spectrum 1 weight 0.10000E+01 volume 0.17091E-03 ppm1 8.205 ppm2 4.815 CV 1 ASSI { 749} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA )) 5.400 3.700 0.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.85915E-04 ppm1 8.199 ppm2 4.646 CV 1 ASSI { 754} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HN )) 4.000 2.000 2.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.75953E-03 ppm1 8.203 ppm2 8.708 CV 1 ASSI { 755} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.400 0.700 0.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.40348E-02 ppm1 8.203 ppm2 8.511 CV 1 ASSI { 757} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HN )) 4.300 2.300 1.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.61030E-03 ppm1 8.514 ppm2 6.456 CV 1 ASSI { 759} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 2.800 1.000 1.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.22004E-02 ppm1 8.514 ppm2 4.817 CV 1 ASSI { 762} (( segid " " and resid 19 and name HN )) (( segid " " and resid 42 and name HA )) 6.000 6.000 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.60980E-04 ppm1 8.510 ppm2 4.328 CV 1 ASSI { 768} (( segid " " and resid 19 and name HN )) (( segid " " and resid 42 and name HB2 )) 5.200 3.400 0.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.12593E-03 ppm1 8.521 ppm2 3.688 CV 1 ASSI { 774} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB )) 2.100 0.600 0.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.40938E-02 ppm1 8.515 ppm2 1.635 CV 1 OR { 774} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 785} (( segid " " and resid 19 and name HN )) ( segid " " and resid 46 and name HG1%) 6.000 5.000 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.11341E-03 ppm1 8.504 ppm2 0.681 CV 1 ASSI { 790} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.200 0.600 0.600 peak 790 spectrum 1 weight 0.10000E+01 volume 0.51246E-02 ppm1 8.515 ppm2 7.827 CV 1 ASSI { 797} (( segid " " and resid 19 and name HN )) (( segid " " and resid 16 and name HN )) 3.400 3.400 2.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.16251E-02 ppm1 8.513 ppm2 8.693 CV 1 ASSI { 803} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA )) 5.400 3.600 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.25250E-03 ppm1 6.455 ppm2 4.834 CV 1 ASSI { 814} (( segid " " and resid 21 and name HN )) (( segid " " and resid 15 and name HA )) 5.600 3.900 0.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.16893E-03 ppm1 6.464 ppm2 3.599 CV 1 ASSI { 819} (( segid " " and resid 21 and name HN )) (( segid " " and resid 15 and name HB )) 4.900 3.000 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.21937E-03 ppm1 6.451 ppm2 2.247 CV 1 ASSI { 824} (( segid " " and resid 21 and name HN )) (( segid " " and resid 38 and name HB )) 6.000 6.000 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.42963E-04 ppm1 6.448 ppm2 1.861 CV 1 ASSI { 830} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG11)) 2.000 0.500 0.500 peak 830 spectrum 1 weight 0.10000E+01 volume 0.50136E-02 ppm1 6.457 ppm2 1.312 CV 1 OR { 830} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HG12)) ASSI { 831} (( segid " " and resid 21 and name HN )) ( segid " " and resid 15 and name HG2%) 5.600 4.000 0.400 peak 831 spectrum 1 weight 0.10000E+01 volume 0.32137E-03 ppm1 6.457 ppm2 1.174 CV 1 ASSI { 837} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HN )) 4.500 2.500 1.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.33325E-03 ppm1 6.457 ppm2 8.694 CV 1 ASSI { 848} (( segid " " and resid 21 and name HN )) ( segid " " and resid 32 and name HD% ) 5.600 3.900 0.400 peak 848 spectrum 1 weight 0.10000E+01 volume 0.29869E-03 ppm1 6.462 ppm2 7.172 CV 1 ASSI { 849} (( segid " " and resid 21 and name HN )) ( segid " " and resid 32 and name HE% ) 6.000 5.500 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.13706E-03 ppm1 6.452 ppm2 6.970 CV 1 ASSI { 851} (( segid " " and resid 23 and name HN )) (( segid " " and resid 16 and name HD21)) 3.700 1.700 1.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.10266E-02 ppm1 8.515 ppm2 6.859 CV 1 ASSI { 853} (( segid " " and resid 23 and name HN )) (( segid " " and resid 16 and name HD22)) 3.500 1.500 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.81768E-03 ppm1 8.515 ppm2 8.069 CV 1 ASSI { 855} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HN )) 4.500 2.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.78671E-03 ppm1 8.513 ppm2 7.771 CV 1 ASSI { 863} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.700 0.900 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.32776E-02 ppm1 8.514 ppm2 3.615 CV 1 ASSI { 865} (( segid " " and resid 23 and name HN )) (( segid " " and resid 16 and name HB2 )) 4.800 2.900 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.35919E-03 ppm1 8.516 ppm2 2.755 CV 1 ASSI { 868} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HA )) 3.400 1.500 1.500 peak 868 spectrum 1 weight 0.10000E+01 volume 0.57805E-03 ppm1 8.508 ppm2 4.116 CV 1 ASSI { 869} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.600 0.800 0.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.28126E-02 ppm1 8.509 ppm2 3.134 CV 1 OR { 869} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 893} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.26818E-02 ppm1 8.515 ppm2 9.246 CV 1 ASSI { 909} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 2.300 0.600 0.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.22839E-02 ppm1 9.246 ppm2 7.746 CV 1 ASSI { 912} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HN )) 4.500 2.500 1.500 peak 912 spectrum 1 weight 0.10000E+01 volume 0.44327E-03 ppm1 9.248 ppm2 7.490 CV 1 ASSI { 916} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HA )) 6.000 5.700 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.10109E-03 ppm1 9.250 ppm2 4.623 CV 1 ASSI { 924} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HD2 )) 5.400 3.600 0.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.14164E-03 ppm1 9.243 ppm2 3.713 CV 1 ASSI { 927} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB1 )) 5.700 4.000 0.300 peak 927 spectrum 1 weight 0.10000E+01 volume 0.26191E-03 ppm1 9.243 ppm2 2.698 CV 1 ASSI { 928} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB2 )) 5.700 4.100 0.300 peak 928 spectrum 1 weight 0.10000E+01 volume 0.16504E-03 ppm1 9.244 ppm2 2.611 CV 1 ASSI { 932} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB1 )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.67370E-02 ppm1 9.246 ppm2 2.003 CV 1 OR { 932} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 935} (( segid " " and resid 24 and name HN )) ( segid " " and resid 12 and name HB% ) 5.200 3.300 0.800 peak 935 spectrum 1 weight 0.10000E+01 volume 0.20296E-03 ppm1 9.241 ppm2 1.672 CV 1 ASSI { 938} (( segid " " and resid 24 and name HN )) ( segid " " and resid 23 and name HG2%) 2.900 1.000 1.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.34213E-02 ppm1 9.245 ppm2 0.995 CV 1 ASSI { 941} (( segid " " and resid 25 and name HN )) ( segid " " and resid 21 and name HG2%) 3.400 1.500 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.13824E-02 ppm1 7.747 ppm2 1.008 CV 1 ASSI { 942} (( segid " " and resid 25 and name HN )) ( segid " " and resid 26 and name HG2%) 4.000 2.000 2.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.11335E-02 ppm1 7.745 ppm2 0.920 CV 1 ASSI { 943} (( segid " " and resid 25 and name HN )) ( segid " " and resid 21 and name HD1%) 6.000 5.600 0.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.13265E-03 ppm1 7.746 ppm2 0.831 CV 1 ASSI { 946} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.500 0.800 0.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.40464E-02 ppm1 7.746 ppm2 2.686 CV 1 ASSI { 953} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HG1 )) 5.200 3.400 0.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.68572E-03 ppm1 7.744 ppm2 2.119 CV 1 ASSI { 954} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 3.400 1.400 1.400 peak 954 spectrum 1 weight 0.10000E+01 volume 0.15231E-02 ppm1 7.746 ppm2 2.001 CV 1 OR { 954} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 956} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HB2 )) 3.100 1.200 1.200 peak 956 spectrum 1 weight 0.10000E+01 volume 0.15617E-02 ppm1 7.747 ppm2 1.760 CV 1 ASSI { 959} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HD2 )) 4.200 2.200 1.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.27195E-03 ppm1 7.747 ppm2 3.702 CV 1 ASSI { 961} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HA )) 5.000 3.200 1.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.28453E-03 ppm1 7.747 ppm2 3.523 CV 1 ASSI { 971} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.200 0.600 0.600 peak 971 spectrum 1 weight 0.10000E+01 volume 0.50620E-02 ppm1 7.746 ppm2 7.489 CV 1 ASSI { 977} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.400 1.400 1.400 peak 977 spectrum 1 weight 0.10000E+01 volume 0.13399E-02 ppm1 7.489 ppm2 4.607 CV 1 ASSI { 979} (( segid " " and resid 26 and name HN )) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.97678E-04 ppm1 7.485 ppm2 4.307 CV 1 ASSI { 985} (( segid " " and resid 26 and name HN )) (( segid " " and resid 22 and name HD2 )) 5.700 4.000 0.300 peak 985 spectrum 1 weight 0.10000E+01 volume 0.82366E-04 ppm1 7.485 ppm2 3.709 CV 1 ASSI { 986} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HA )) 3.500 1.500 1.500 peak 986 spectrum 1 weight 0.10000E+01 volume 0.93183E-03 ppm1 7.488 ppm2 3.619 CV 1 ASSI { 987} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.600 0.800 0.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.23802E-02 ppm1 7.487 ppm2 3.539 CV 1 ASSI { 991} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.800 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 7.489 ppm2 2.685 CV 1 ASSI { 1000} (( segid " " and resid 26 and name HN )) ( segid " " and resid 12 and name HB% ) 4.100 2.100 1.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 7.488 ppm2 1.686 CV 1 ASSI { 1003} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HB2 )) 6.000 5.000 0.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.94302E-04 ppm1 7.491 ppm2 1.420 CV 1 ASSI { 1006} (( segid " " and resid 26 and name HN )) ( segid " " and resid 15 and name HG2%) 6.000 5.000 0.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.23104E-03 ppm1 7.489 ppm2 1.174 CV 1 ASSI { 1009} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HG2%) 2.000 0.500 0.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.74843E-02 ppm1 7.488 ppm2 0.927 CV 1 ASSI { 1010} (( segid " " and resid 26 and name HN )) ( segid " " and resid 21 and name HD1%) 5.900 4.400 0.100 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.30886E-03 ppm1 7.491 ppm2 0.833 CV 1 ASSI { 1013} (( segid " " and resid 26 and name HN )) ( segid " " and resid 69 and name HG1%) 6.000 5.400 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.97038E-04 ppm1 7.491 ppm2 0.433 CV 1 ASSI { 1016} (( segid " " and resid 26 and name HN )) ( segid " " and resid 32 and name HE% ) 5.600 4.000 0.400 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.30192E-03 ppm1 7.493 ppm2 6.977 CV 1 ASSI { 1019} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HN )) 4.600 2.600 1.400 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.50702E-04 ppm1 7.487 ppm2 8.528 CV 1 ASSI { 1030} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 3.700 1.700 1.700 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.94626E-03 ppm1 6.352 ppm2 7.494 CV 1 ASSI { 1043} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB )) 4.400 2.400 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.38351E-03 ppm1 6.353 ppm2 2.328 CV 1 ASSI { 1046} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.21655E-02 ppm1 6.351 ppm2 2.058 CV 1 ASSI { 1049} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HG1 )) 3.100 1.200 1.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.23885E-02 ppm1 6.351 ppm2 1.801 CV 1 ASSI { 1051} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.400 0.700 0.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.20928E-02 ppm1 6.348 ppm2 1.543 CV 1 ASSI { 1053} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG2 )) 2.700 0.900 0.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.39626E-02 ppm1 6.351 ppm2 1.341 CV 1 OR { 1053} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG1 )) ASSI { 1057} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HG2%) 4.400 2.400 1.600 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.88076E-03 ppm1 6.351 ppm2 0.922 CV 1 ASSI { 1062} (( segid " " and resid 28 and name HN )) (( segid " " and resid 69 and name HB )) 4.200 2.200 1.800 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.28243E-03 ppm1 8.459 ppm2 2.277 CV 1 ASSI { 1064} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 2.400 0.700 0.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.27264E-02 ppm1 8.463 ppm2 2.060 CV 1 ASSI { 1069} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.200 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.12841E-02 ppm1 8.463 ppm2 1.533 CV 1 ASSI { 1071} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG1 )) 4.300 2.300 1.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.10438E-02 ppm1 8.462 ppm2 1.339 CV 1 OR { 1071} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) ASSI { 1076} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD2%) 3.600 1.600 1.600 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.15864E-02 ppm1 8.462 ppm2 0.907 CV 1 ASSI { 1081} (( segid " " and resid 28 and name HN )) ( segid " " and resid 69 and name HG1%) 5.000 3.100 1.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.13980E-03 ppm1 8.466 ppm2 0.446 CV 1 ASSI { 1089} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.27868E-03 ppm1 8.463 ppm2 6.355 CV 1 ASSI { 1094} (( segid " " and resid 28 and name HN )) (( segid " " and resid 30 and name HN )) 4.300 2.300 1.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.34004E-03 ppm1 8.463 ppm2 7.502 CV 1 ASSI { 1100} (( segid " " and resid 29 and name HN )) ( segid " " and resid 69 and name HG1%) 6.000 4.700 0.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.10713E-03 ppm1 8.386 ppm2 0.431 CV 1 ASSI { 1101} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD1%) 4.900 3.000 1.100 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.33165E-03 ppm1 8.386 ppm2 0.804 CV 1 ASSI { 1102} (( segid " " and resid 29 and name HN )) ( segid " " and resid 69 and name HG2%) 6.000 5.000 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.71148E-04 ppm1 8.387 ppm2 0.634 CV 1 ASSI { 1105} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.17623E-02 ppm1 7.512 ppm2 1.944 CV 1 OR { 1105} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HG2 )) ASSI { 1118} (( segid " " and resid 62 and name HN )) ( segid " " and resid 58 and name HG2%) 4.000 2.000 2.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.56225E-03 ppm1 7.514 ppm2 0.341 CV 1 ASSI { 1120} (( segid " " and resid 30 and name HN )) (( segid " " and resid 69 and name HA )) 5.600 4.000 0.400 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.13310E-03 ppm1 7.498 ppm2 3.379 CV 1 ASSI { 1132} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HA )) 4.100 2.100 1.900 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.51132E-03 ppm1 7.511 ppm2 4.214 CV 1 ASSI { 1142} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HN )) 4.000 2.000 2.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.71961E-03 ppm1 7.504 ppm2 6.351 CV 1 ASSI { 1149} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HN )) 3.700 1.700 1.700 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 7.505 ppm2 8.218 CV 1 ASSI { 1151} (( segid " " and resid 62 and name HN )) (( segid " " and resid 40 and name H36A)) 4.600 2.700 1.400 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.51506E-03 ppm1 7.508 ppm2 8.029 CV 1 OR { 1151} (( segid " " and resid 62 and name HN )) (( segid " " and resid 40 and name H41A)) ASSI { 1154} (( segid " " and resid 30 and name HN )) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.29780E-03 ppm1 7.508 ppm2 9.412 CV 1 ASSI { 1156} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 5.000 3.100 1.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.23024E-03 ppm1 10.161 ppm2 8.227 CV 1 ASSI { 1158} (( segid " " and resid 31 and name HN )) (( segid " " and resid 35 and name HN )) 4.600 2.700 1.400 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.51515E-03 ppm1 10.164 ppm2 7.715 CV 1 ASSI { 1161} (( segid " " and resid 31 and name HN )) (( segid " " and resid 35 and name HA )) 6.000 4.600 0.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.19538E-03 ppm1 10.166 ppm2 5.021 CV 1 ASSI { 1166} (( segid " " and resid 31 and name HN )) (( segid " " and resid 68 and name HB )) 5.100 3.200 0.900 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.16043E-03 ppm1 10.167 ppm2 4.317 CV 1 ASSI { 1177} (( segid " " and resid 31 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.24555E-02 ppm1 10.164 ppm2 3.048 CV 1 ASSI { 1179} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HB1 )) 5.400 3.700 0.600 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.15194E-03 ppm1 10.163 ppm2 2.808 CV 1 ASSI { 1182} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.500 0.000 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.31197E-03 ppm1 10.166 ppm2 2.448 CV 1 ASSI { 1185} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG1 )) 5.100 3.300 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.43339E-03 ppm1 10.162 ppm2 1.802 CV 1 ASSI { 1188} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 4.000 2.000 2.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 10.165 ppm2 1.375 CV 1 OR { 1188} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI { 1192} (( segid " " and resid 31 and name HN )) ( segid " " and resid 36 and name HD2%) 6.000 4.700 0.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.21343E-03 ppm1 10.165 ppm2 0.777 CV 1 ASSI { 1198} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HN )) 6.000 6.000 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.12440E-04 ppm1 10.181 ppm2 8.412 CV 1 ASSI { 1204} (( segid " " and resid 39 and name HN )) (( segid " " and resid 19 and name HN )) 6.000 5.300 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.78863E-04 ppm1 8.224 ppm2 8.548 CV 1 ASSI { 1210} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HN )) 4.300 2.400 1.700 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.31002E-03 ppm1 8.218 ppm2 7.737 CV 1 ASSI { 1213} (( segid " " and resid 32 and name HN )) (( segid " " and resid 37 and name HN )) 6.000 5.600 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.50693E-04 ppm1 8.225 ppm2 7.362 CV 1 ASSI { 1215} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HD% ) 2.500 0.800 0.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.33972E-02 ppm1 8.223 ppm2 7.189 CV 1 ASSI { 1225} (( segid " " and resid 39 and name HN )) (( segid " " and resid 19 and name HA )) 4.600 2.600 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.19400E-03 ppm1 8.216 ppm2 4.821 CV 1 ASSI { 1236} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.200 2.200 1.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.73829E-03 ppm1 8.225 ppm2 3.865 CV 1 ASSI { 1260} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB2 )) 5.100 3.300 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.13959E-03 ppm1 8.226 ppm2 1.373 CV 1 OR { 1260} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI { 1263} (( segid " " and resid 32 and name HN )) ( segid " " and resid 68 and name HG2%) 4.900 3.000 1.100 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.82133E-03 ppm1 8.223 ppm2 1.057 CV 1 ASSI { 1270} (( segid " " and resid 33 and name HN )) (( segid " " and resid 68 and name HA )) 5.300 3.500 0.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.14819E-03 ppm1 8.650 ppm2 5.254 CV 1 ASSI { 1271} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 4.200 2.200 1.800 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.35837E-03 ppm1 8.646 ppm2 4.919 CV 1 ASSI { 1272} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HA )) 5.700 4.000 0.300 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.12065E-03 ppm1 8.657 ppm2 4.656 CV 1 ASSI { 1285} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.400 0.700 0.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.39126E-02 ppm1 8.647 ppm2 3.161 CV 1 OR { 1285} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 1292} (( segid " " and resid 33 and name HN )) (( segid " " and resid 38 and name HB )) 5.200 3.400 0.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.27480E-03 ppm1 8.647 ppm2 1.891 CV 1 ASSI { 1296} (( segid " " and resid 33 and name HN )) ( segid " " and resid 43 and name HE% ) 5.100 3.300 0.900 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.28630E-03 ppm1 8.647 ppm2 1.447 CV 1 ASSI { 1298} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 2.600 0.800 0.800 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.33635E-02 ppm1 8.646 ppm2 1.274 CV 1 ASSI { 1302} (( segid " " and resid 33 and name HN )) ( segid " " and resid 38 and name HG2%) 4.600 2.600 1.400 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.30222E-03 ppm1 8.647 ppm2 0.937 CV 1 OR { 1302} (( segid " " and resid 33 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 1307} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 3.000 1.100 1.100 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.16946E-02 ppm1 8.647 ppm2 8.221 CV 1 ASSI { 1312} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HN )) 4.500 2.500 1.500 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.36301E-03 ppm1 8.646 ppm2 7.718 CV 1 ASSI { 1314} (( segid " " and resid 33 and name HN )) (( segid " " and resid 36 and name HN )) 5.000 3.100 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.18653E-03 ppm1 8.647 ppm2 7.445 CV 1 ASSI { 1315} (( segid " " and resid 33 and name HN )) (( segid " " and resid 37 and name HN )) 5.600 3.900 0.400 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.12563E-03 ppm1 8.649 ppm2 7.337 CV 1 ASSI { 1316} (( segid " " and resid 33 and name HN )) ( segid " " and resid 32 and name HD% ) 4.600 2.600 1.400 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.66530E-03 ppm1 8.647 ppm2 7.190 CV 1 ASSI { 1322} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 2.800 1.000 1.000 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.21224E-02 ppm1 7.971 ppm2 8.647 CV 1 ASSI { 1326} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.300 1.400 1.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 7.974 ppm2 4.612 CV 1 ASSI { 1333} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB )) 3.700 1.700 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.16472E-02 ppm1 7.971 ppm2 4.173 CV 1 ASSI { 1334} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 2.700 0.900 0.900 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.21415E-02 ppm1 7.946 ppm2 4.118 CV 1 ASSI { 1335} (( segid " " and resid 34 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.000 2.000 2.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.90086E-03 ppm1 7.975 ppm2 3.861 CV 1 ASSI { 1336} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.500 1.500 1.500 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 7.974 ppm2 2.771 CV 1 ASSI { 1337} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.200 1.300 1.300 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.18016E-02 ppm1 7.974 ppm2 2.444 CV 1 ASSI { 1343} (( segid " " and resid 36 and name HN )) ( segid " " and resid 21 and name HD1%) 6.000 4.500 0.000 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.20450E-03 ppm1 7.445 ppm2 0.856 CV 1 ASSI { 1345} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.600 0.800 0.800 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 7.447 ppm2 1.621 CV 1 ASSI { 1346} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG )) 2.300 0.600 0.600 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.30919E-02 ppm1 7.446 ppm2 1.471 CV 1 ASSI { 1347} (( segid " " and resid 36 and name HN )) (( segid " " and resid 30 and name HB2 )) 5.100 3.200 0.900 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.55394E-03 ppm1 7.446 ppm2 1.369 CV 1 OR { 1347} (( segid " " and resid 36 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI { 1348} (( segid " " and resid 36 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.600 2.700 1.400 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.22083E-03 ppm1 7.451 ppm2 2.044 CV 1 ASSI { 1349} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.300 2.300 1.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.35402E-03 ppm1 7.449 ppm2 2.468 CV 1 ASSI { 1350} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.100 1.200 1.200 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.25573E-02 ppm1 7.446 ppm2 2.298 CV 1 ASSI { 1353} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 2.600 0.800 0.800 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 7.446 ppm2 3.048 CV 1 ASSI { 1355} (( segid " " and resid 36 and name HN )) (( segid " " and resid 32 and name HA )) 3.200 1.300 1.300 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.10831E-02 ppm1 7.447 ppm2 4.088 CV 1 ASSI { 1356} (( segid " " and resid 36 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.400 1.500 1.500 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.28817E-03 ppm1 7.448 ppm2 3.861 CV 1 ASSI { 1357} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HA )) 4.800 2.800 1.200 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.34719E-03 ppm1 7.448 ppm2 4.489 CV 1 ASSI { 1360} (( segid " " and resid 36 and name HN )) ( segid " " and resid 32 and name HD% ) 4.000 2.000 2.000 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.13933E-02 ppm1 7.445 ppm2 7.178 CV 1 ASSI { 1364} (( segid " " and resid 36 and name HN )) (( segid " " and resid 32 and name HN )) 4.700 2.700 1.300 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.22973E-03 ppm1 7.456 ppm2 8.193 CV 1 ASSI { 1366} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HN )) 3.900 1.900 1.900 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.48432E-03 ppm1 7.445 ppm2 7.981 CV 1 ASSI { 1368} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 2.200 0.600 0.600 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.57476E-02 ppm1 7.447 ppm2 7.721 CV 1 ASSI { 1373} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HN )) 3.900 1.900 1.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.75190E-03 ppm1 7.358 ppm2 7.719 CV 1 ASSI { 1376} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 1.900 0.500 0.500 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.31233E-02 ppm1 7.348 ppm2 8.084 CV 1 ASSI { 1377} (( segid " " and resid 37 and name HN )) ( segid " " and resid 32 and name HD% ) 3.500 1.600 1.600 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.18513E-02 ppm1 7.347 ppm2 7.173 CV 1 ASSI { 1381} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.300 1.400 1.400 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.74967E-03 ppm1 7.348 ppm2 2.293 CV 1 ASSI { 1382} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.200 1.300 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.12892E-02 ppm1 7.348 ppm2 3.083 CV 1 ASSI { 1385} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HA )) 4.400 2.400 1.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.24889E-03 ppm1 7.346 ppm2 4.610 CV 1 ASSI { 1388} (( segid " " and resid 37 and name HN )) (( segid " " and resid 21 and name HA )) 6.000 4.500 0.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.17971E-03 ppm1 7.344 ppm2 4.309 CV 1 ASSI { 1390} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HA )) 5.700 4.100 0.300 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.11408E-03 ppm1 7.354 ppm2 3.955 CV 1 ASSI { 1391} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HB )) 4.900 3.000 1.100 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.22715E-03 ppm1 7.348 ppm2 1.882 CV 1 ASSI { 1393} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG )) 4.600 2.600 1.400 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.46103E-03 ppm1 7.347 ppm2 1.464 CV 1 ASSI { 1396} (( segid " " and resid 37 and name HN )) ( segid " " and resid 21 and name HG2%) 4.800 2.900 1.200 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.15772E-03 ppm1 7.347 ppm2 1.016 CV 1 ASSI { 1397} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG2%) 4.400 2.400 1.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.72125E-03 ppm1 7.348 ppm2 0.943 CV 1 OR { 1397} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 1398} (( segid " " and resid 37 and name HN )) ( segid " " and resid 21 and name HD1%) 3.600 1.600 1.600 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.43090E-03 ppm1 7.347 ppm2 0.841 CV 1 ASSI { 1399} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HD2%) 3.200 1.300 1.300 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.49387E-03 ppm1 7.348 ppm2 0.767 CV 1 ASSI { 1402} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) 4.900 3.000 1.100 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.60879E-03 ppm1 8.087 ppm2 2.289 CV 1 ASSI { 1406} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 2.100 0.500 0.500 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.55188E-02 ppm1 8.088 ppm2 1.891 CV 1 ASSI { 1408} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB2 )) 4.000 2.000 2.000 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.47057E-03 ppm1 8.088 ppm2 1.622 CV 1 ASSI { 1409} (( segid " " and resid 38 and name HN )) ( segid " " and resid 19 and name HB% ) 4.700 2.800 1.300 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.28782E-03 ppm1 8.085 ppm2 1.543 CV 1 ASSI { 1416} (( segid " " and resid 38 and name HN )) ( segid " " and resid 21 and name HD1%) 4.500 2.500 1.500 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.25103E-03 ppm1 8.091 ppm2 0.852 CV 1 ASSI { 1417} (( segid " " and resid 38 and name HN )) ( segid " " and resid 36 and name HD2%) 4.200 2.200 1.800 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.13980E-03 ppm1 8.082 ppm2 0.784 CV 1 ASSI { 1418} (( segid " " and resid 38 and name HN )) ( segid " " and resid 36 and name HD1%) 5.700 4.100 0.300 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.21421E-03 ppm1 8.087 ppm2 0.605 CV 1 ASSI { 1419} (( segid " " and resid 38 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.100 2.100 1.900 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.56348E-03 ppm1 8.087 ppm2 3.156 CV 1 OR { 1419} (( segid " " and resid 38 and name HN )) (( segid " " and resid 32 and name HB2 )) ASSI { 1420} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 4.200 2.200 1.800 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.51748E-03 ppm1 8.087 ppm2 3.087 CV 1 ASSI { 1422} (( segid " " and resid 38 and name HN )) (( segid " " and resid 32 and name HA )) 4.400 2.400 1.600 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.37549E-03 ppm1 8.091 ppm2 4.076 CV 1 ASSI { 1424} (( segid " " and resid 38 and name HN )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.27707E-02 ppm1 8.088 ppm2 4.486 CV 1 ASSI { 1429} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HN )) 4.500 2.500 1.500 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.67370E-03 ppm1 8.088 ppm2 7.448 CV 1 ASSI { 1432} (( segid " " and resid 38 and name HN )) ( segid " " and resid 32 and name HD% ) 4.600 2.700 1.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.27913E-03 ppm1 8.085 ppm2 7.167 CV 1 ASSI { 1448} (( segid " " and resid 40 and name HN )) (( segid " " and resid 33 and name HN )) 5.300 3.500 0.700 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.51388E-03 ppm1 8.920 ppm2 8.650 CV 1 ASSI { 1450} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 3.000 1.100 1.100 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.70951E-03 ppm1 8.919 ppm2 8.215 CV 1 ASSI { 1451} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 2.700 0.900 0.900 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.17406E-02 ppm1 8.920 ppm2 8.109 CV 1 ASSI { 1460} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.200 0.600 0.600 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.72020E-02 ppm1 8.920 ppm2 4.145 CV 1 OR { 1460} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) OR { 1460} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 1463} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name H28A)) 5.000 3.200 1.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.22097E-03 ppm1 8.918 ppm2 3.735 CV 1 ASSI { 1467} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB1 )) 3.000 1.200 1.200 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.40148E-02 ppm1 8.919 ppm2 3.098 CV 1 ASSI { 1473} (( segid " " and resid 40 and name HN )) (( segid " " and resid 43 and name HB1 )) 5.600 4.000 0.400 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.10276E-03 ppm1 8.923 ppm2 1.994 CV 1 OR { 1473} (( segid " " and resid 40 and name HN )) (( segid " " and resid 43 and name HB2 )) ASSI { 1478} (( segid " " and resid 40 and name HN )) ( segid " " and resid 43 and name HE% ) 5.900 4.400 0.100 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.82056E-04 ppm1 8.916 ppm2 1.455 CV 1 ASSI { 1480} (( segid " " and resid 40 and name HN )) ( segid " " and resid 33 and name HG2%) 4.800 2.900 1.200 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.16138E-03 ppm1 8.917 ppm2 1.282 CV 1 ASSI { 1484} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HG2%) 5.900 4.300 0.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.12364E-03 ppm1 8.118 ppm2 1.085 CV 1 ASSI { 1490} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.800 1.800 1.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.46340E-03 ppm1 8.112 ppm2 2.767 CV 1 ASSI { 1497} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.100 1.200 1.200 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.54425E-02 ppm1 8.113 ppm2 1.875 CV 1 ASSI { 1502} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB1 )) 3.600 1.600 1.600 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.68042E-03 ppm1 8.112 ppm2 3.097 CV 1 ASSI { 1503} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name H28A)) 4.700 2.800 1.300 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.12644E-03 ppm1 8.107 ppm2 3.752 CV 1 ASSI { 1504} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB2 )) 6.000 4.800 0.000 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.11946E-03 ppm1 8.105 ppm2 3.667 CV 1 ASSI { 1508} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.27232E-02 ppm1 8.111 ppm2 4.143 CV 1 OR { 1508} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) OR { 1508} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 1510} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 5.000 3.100 1.000 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.14490E-03 ppm1 8.111 ppm2 4.656 CV 1 ASSI { 1518} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HN )) 3.100 1.200 1.200 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 8.111 ppm2 8.210 CV 1 ASSI { 1522} (( segid " " and resid 41 and name HN )) (( segid " " and resid 44 and name HN )) 5.200 3.400 0.800 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.17988E-03 ppm1 8.103 ppm2 7.264 CV 1 ASSI { 1525} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) 3.900 1.900 1.900 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.52415E-03 ppm1 8.393 ppm2 4.136 CV 1 ASSI { 1532} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HB1 )) 4.900 3.000 1.100 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.32489E-03 ppm1 8.393 ppm2 3.099 CV 1 ASSI { 1537} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HB1 )) 5.900 4.300 0.100 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.28497E-03 ppm1 8.401 ppm2 2.029 CV 1 ASSI { 1538} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HB2 )) 5.000 3.200 1.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.28122E-03 ppm1 8.399 ppm2 1.970 CV 1 ASSI { 1540} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG )) 5.200 3.400 0.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.28761E-03 ppm1 8.398 ppm2 1.731 CV 1 ASSI { 1542} (( segid " " and resid 42 and name HN )) ( segid " " and resid 19 and name HB% ) 5.300 3.500 0.700 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.15102E-03 ppm1 8.391 ppm2 1.539 CV 1 ASSI { 1546} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HN )) 3.000 1.200 1.200 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.18190E-02 ppm1 8.393 ppm2 8.216 CV 1 ASSI { 1547} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 2.300 0.600 0.600 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.46975E-02 ppm1 8.394 ppm2 8.111 CV 1 ASSI { 1553} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 4.400 2.400 1.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.27465E-03 ppm1 8.393 ppm2 7.274 CV 1 ASSI { 1558} (( segid " " and resid 42 and name HN )) (( segid " " and resid 19 and name HN )) 4.200 2.200 1.800 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.12681E-02 ppm1 8.395 ppm2 8.490 CV 1 ASSI { 1559} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HN )) 4.000 2.000 2.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.34541E-03 ppm1 8.388 ppm2 8.912 CV 1 ASSI { 1569} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HB2 )) 5.000 3.200 1.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.24644E-03 ppm1 7.267 ppm2 2.123 CV 1 ASSI { 1570} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.000 1.200 1.200 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.11806E-02 ppm1 7.268 ppm2 2.034 CV 1 ASSI { 1571} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.200 1.300 1.300 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 7.268 ppm2 1.947 CV 1 ASSI { 1582} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.900 3.100 1.100 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.17757E-03 ppm1 7.267 ppm2 3.669 CV 1 ASSI { 1587} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 2.300 0.700 0.700 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.44698E-02 ppm1 7.268 ppm2 6.991 CV 1 ASSI { 1593} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HN )) 4.100 2.100 1.900 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.42103E-03 ppm1 7.266 ppm2 8.099 CV 1 ASSI { 1600} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HN )) 3.900 1.900 1.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.50150E-03 ppm1 6.990 ppm2 8.383 CV 1 ASSI { 1603} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 2.200 0.600 0.600 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.46075E-02 ppm1 6.990 ppm2 8.079 CV 1 ASSI { 1604} (( segid " " and resid 45 and name HN )) (( segid " " and resid 47 and name HN )) 3.900 1.900 1.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.81622E-03 ppm1 6.991 ppm2 7.983 CV 1 ASSI { 1621} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HA )) 2.600 2.600 3.400 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.14058E-02 ppm1 6.991 ppm2 4.291 CV 1 ASSI { 1626} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HB2 )) 5.000 3.100 1.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.20949E-03 ppm1 6.990 ppm2 3.670 CV 1 ASSI { 1628} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) 5.200 3.400 0.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.24453E-03 ppm1 6.992 ppm2 3.419 CV 1 ASSI { 1635} (( segid " " and resid 45 and name HN )) (( segid " " and resid 18 and name HG12)) 6.000 5.800 0.000 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.89565E-04 ppm1 6.993 ppm2 1.293 CV 1 ASSI { 1641} (( segid " " and resid 45 and name HN )) ( segid " " and resid 46 and name HG1%) 6.000 5.100 0.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.17167E-03 ppm1 6.992 ppm2 0.667 CV 1 ASSI { 1652} (( segid " " and resid 46 and name HN )) (( segid " " and resid 60 and name HB1 )) 6.000 4.800 0.000 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.11592E-03 ppm1 8.081 ppm2 2.622 CV 1 OR { 1652} (( segid " " and resid 46 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 1654} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.700 2.800 1.300 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.59386E-03 ppm1 8.081 ppm2 2.455 CV 1 ASSI { 1662} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HA )) 5.100 3.300 0.900 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.30503E-03 ppm1 8.082 ppm2 3.322 CV 1 ASSI { 1663} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.500 1.600 1.600 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.11752E-02 ppm1 8.076 ppm2 3.671 CV 1 ASSI { 1685} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HN )) 4.400 2.500 1.600 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.32204E-03 ppm1 8.002 ppm2 7.276 CV 1 ASSI { 1694} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 2.300 0.700 0.700 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.44093E-02 ppm1 7.997 ppm2 8.075 CV 1 ASSI { 1697} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HA )) 4.100 2.100 1.900 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.35807E-03 ppm1 8.000 ppm2 4.065 CV 1 ASSI { 1699} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) 3.300 1.400 1.400 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.11714E-02 ppm1 7.999 ppm2 3.576 CV 1 ASSI { 1700} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) 3.200 1.200 1.200 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.93055E-03 ppm1 7.998 ppm2 3.414 CV 1 ASSI { 1709} (( segid " " and resid 47 and name HN )) ( segid " " and resid 50 and name HB% ) 4.300 2.400 1.700 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.43820E-03 ppm1 7.999 ppm2 1.462 CV 1 ASSI { 1712} (( segid " " and resid 47 and name HN )) ( segid " " and resid 47 and name HG2%) 2.600 0.800 0.800 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.69809E-02 ppm1 7.998 ppm2 0.901 CV 1 OR { 1712} (( segid " " and resid 47 and name HN )) ( segid " " and resid 47 and name HG1%) ASSI { 1722} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.600 1.600 1.600 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.82764E-03 ppm1 7.897 ppm2 3.290 CV 1 ASSI { 1725} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HN )) 3.200 3.200 2.800 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.16850E-02 ppm1 7.904 ppm2 8.079 CV 1 ASSI { 1726} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.25967E-02 ppm1 7.904 ppm2 8.008 CV 1 ASSI { 1727} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HN )) 4.200 2.200 1.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.54430E-03 ppm1 7.907 ppm2 8.886 CV 1 ASSI { 1734} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HN )) 3.300 3.300 2.700 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.29838E-02 ppm1 7.906 ppm2 7.730 CV 1 ASSI { 1739} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HN )) 4.000 2.000 2.000 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.10723E-03 ppm1 7.907 ppm2 6.951 CV 1 ASSI { 1745} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HA )) 3.500 1.500 1.500 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.83531E-03 ppm1 7.905 ppm2 4.062 CV 1 ASSI { 1749} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.300 1.300 1.300 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.10148E-02 ppm1 7.905 ppm2 3.429 CV 1 ASSI { 1750} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 4.100 2.100 1.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.40385E-03 ppm1 7.902 ppm2 3.301 CV 1 ASSI { 1752} (( segid " " and resid 49 and name HN )) ( segid " " and resid 48 and name HG1%) 3.200 1.300 1.300 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.20918E-02 ppm1 7.905 ppm2 0.998 CV 1 ASSI { 1754} (( segid " " and resid 49 and name HN )) ( segid " " and resid 14 and name HD1%) 4.400 2.400 1.600 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.65242E-03 ppm1 7.906 ppm2 0.763 CV 1 ASSI { 1759} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB )) 4.400 2.500 1.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.52977E-03 ppm1 7.906 ppm2 2.233 CV 1 ASSI { 1779} (( segid " " and resid 50 and name HN )) ( segid " " and resid 14 and name HD1%) 3.000 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.16657E-02 ppm1 8.811 ppm2 0.741 CV 1 ASSI { 1791} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) 3.100 1.200 1.200 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.11268E-02 ppm1 8.811 ppm2 3.296 CV 1 ASSI { 1792} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HG1 )) 4.600 2.600 1.400 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.28176E-03 ppm1 8.809 ppm2 2.820 CV 1 ASSI { 1796} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HN )) 6.000 5.600 0.000 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.50575E-04 ppm1 8.805 ppm2 8.207 CV 1 ASSI { 1798} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HN )) 4.900 2.900 1.100 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.15092E-03 ppm1 8.812 ppm2 7.990 CV 1 ASSI { 1801} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HN )) 4.500 2.500 1.500 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.36144E-03 ppm1 8.812 ppm2 7.730 CV 1 ASSI { 1803} (( segid " " and resid 50 and name HN )) ( segid " " and resid 54 and name HD% ) 6.000 4.600 0.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.22311E-03 ppm1 8.811 ppm2 7.466 CV 1 ASSI { 1817} (( segid " " and resid 51 and name HN )) (( segid " " and resid 54 and name HN )) 4.800 2.800 1.200 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.26657E-03 ppm1 8.857 ppm2 8.130 CV 1 ASSI { 1818} (( segid " " and resid 51 and name HN )) (( segid " " and resid 47 and name HN )) 5.100 3.200 0.900 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.23298E-03 ppm1 8.854 ppm2 8.006 CV 1 ASSI { 1821} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 2.500 0.800 0.800 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.26505E-02 ppm1 8.860 ppm2 7.725 CV 1 ASSI { 1824} (( segid " " and resid 51 and name HN )) ( segid " " and resid 54 and name HD% ) 5.100 3.200 0.900 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.21169E-03 ppm1 8.857 ppm2 7.461 CV 1 ASSI { 1825} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HA )) 5.800 4.200 0.200 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.22247E-03 ppm1 8.864 ppm2 4.727 CV 1 ASSI { 1827} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) 4.700 2.800 1.300 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.22653E-03 ppm1 8.865 ppm2 4.263 CV 1 ASSI { 1828} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.24543E-02 ppm1 8.860 ppm2 4.185 CV 1 ASSI { 1829} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HA )) 5.300 3.500 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.29373E-03 ppm1 8.861 ppm2 4.093 CV 1 ASSI { 1836} (( segid " " and resid 51 and name HN )) (( segid " " and resid 47 and name HA )) 3.800 1.800 1.800 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.51803E-03 ppm1 8.865 ppm2 3.296 CV 1 ASSI { 1839} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HB% ) 2.700 0.900 0.900 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.33173E-02 ppm1 8.860 ppm2 1.500 CV 1 ASSI { 1841} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HE2 )) 5.700 4.000 0.300 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.17178E-03 ppm1 8.860 ppm2 2.925 CV 1 OR { 1841} (( segid " " and resid 51 and name HN )) (( segid " " and resid 57 and name HE1 )) ASSI { 1842} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG1 )) 2.400 0.700 0.700 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.37840E-02 ppm1 8.861 ppm2 2.824 CV 1 ASSI { 1845} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.300 1.400 1.400 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.36533E-02 ppm1 8.860 ppm2 2.476 CV 1 ASSI { 1847} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG2 )) 3.100 1.200 1.200 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.21649E-02 ppm1 8.860 ppm2 2.296 CV 1 ASSI { 1853} (( segid " " and resid 51 and name HN )) ( segid " " and resid 14 and name HD1%) 5.000 3.200 1.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.22638E-03 ppm1 8.859 ppm2 0.751 CV 1 ASSI { 1855} (( segid " " and resid 52 and name HN )) (( segid " " and resid 47 and name HA )) 6.000 5.000 0.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.90607E-04 ppm1 7.715 ppm2 3.313 CV 1 ASSI { 1860} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG2 )) 3.800 1.800 1.800 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 7.727 ppm2 2.242 CV 1 ASSI { 1864} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB1 )) 4.900 3.000 1.100 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.35337E-03 ppm1 7.727 ppm2 1.621 CV 1 ASSI { 1866} (( segid " " and resid 52 and name HN )) ( segid " " and resid 50 and name HB% ) 4.400 2.400 1.600 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.44776E-03 ppm1 7.724 ppm2 1.510 CV 1 ASSI { 1867} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB2 )) 5.100 3.300 0.900 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.38144E-03 ppm1 7.728 ppm2 1.104 CV 1 ASSI { 1871} (( segid " " and resid 52 and name HN )) ( segid " " and resid 14 and name HD1%) 5.000 3.100 1.000 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.20365E-03 ppm1 7.728 ppm2 0.749 CV 1 ASSI { 1875} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.32142E-02 ppm1 7.725 ppm2 4.121 CV 1 ASSI { 1881} (( segid " " and resid 52 and name HN )) ( segid " " and resid 54 and name HD% ) 3.900 1.900 1.900 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.15588E-02 ppm1 7.728 ppm2 7.457 CV 1 ASSI { 1893} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 2.400 0.700 0.700 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.28651E-02 ppm1 7.723 ppm2 8.213 CV 1 ASSI { 1907} (( segid " " and resid 53 and name HN )) ( segid " " and resid 54 and name HD% ) 4.400 2.500 1.600 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.69627E-03 ppm1 8.209 ppm2 7.475 CV 1 OR { 1907} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HZ )) ASSI { 1914} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HN )) 4.600 2.700 1.400 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.33188E-03 ppm1 8.206 ppm2 8.874 CV 1 ASSI { 1916} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HA )) 5.900 4.400 0.100 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.15361E-03 ppm1 8.210 ppm2 4.851 CV 1 ASSI { 1920} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) 6.000 6.000 0.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.11046E-03 ppm1 8.198 ppm2 3.470 CV 1 ASSI { 1925} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.200 1.300 1.300 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.20662E-02 ppm1 8.207 ppm2 2.044 CV 1 ASSI { 1931} (( segid " " and resid 53 and name HN )) ( segid " " and resid 50 and name HB% ) 4.600 2.600 1.400 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.63415E-03 ppm1 8.201 ppm2 1.519 CV 1 ASSI { 1934} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.300 1.300 1.300 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.34102E-02 ppm1 8.202 ppm2 1.087 CV 1 ASSI { 1936} (( segid " " and resid 53 and name HN )) ( segid " " and resid 14 and name HD1%) 4.600 2.600 1.400 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.56641E-03 ppm1 8.199 ppm2 0.756 CV 1 ASSI { 1939} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.300 1.400 1.400 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.23677E-02 ppm1 8.129 ppm2 1.085 CV 1 ASSI { 1940} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) 3.000 1.200 1.200 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.75697E-03 ppm1 8.130 ppm2 0.873 CV 1 ASSI { 1941} (( segid " " and resid 54 and name HN )) ( segid " " and resid 14 and name HD1%) 3.300 3.300 2.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.35094E-03 ppm1 8.130 ppm2 0.743 CV 1 ASSI { 1942} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.500 1.500 1.500 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.51209E-03 ppm1 8.131 ppm2 0.672 CV 1 ASSI { 1945} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.800 1.800 1.800 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.12671E-02 ppm1 8.131 ppm2 1.612 CV 1 ASSI { 1946} (( segid " " and resid 54 and name HN )) ( segid " " and resid 50 and name HB% ) 4.600 2.600 1.400 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.48569E-03 ppm1 8.127 ppm2 1.499 CV 1 ASSI { 1952} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB1 )) 6.000 4.800 0.000 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.17648E-03 ppm1 8.128 ppm2 3.262 CV 1 ASSI { 1956} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB2 )) 5.200 3.300 0.800 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.28217E-03 ppm1 8.130 ppm2 2.559 CV 1 ASSI { 1957} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HB1 )) 5.900 4.400 0.100 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.81873E-04 ppm1 8.130 ppm2 2.484 CV 1 ASSI { 1959} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.700 1.700 1.700 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.51607E-03 ppm1 8.133 ppm2 4.177 CV 1 ASSI { 1961} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HA )) 4.900 3.000 1.100 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.88843E-03 ppm1 8.130 ppm2 4.495 CV 1 ASSI { 1964} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HN )) 4.100 2.100 1.900 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.79201E-03 ppm1 8.130 ppm2 7.729 CV 1 ASSI { 1966} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HD% ) 3.000 1.100 1.100 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.25432E-02 ppm1 8.130 ppm2 7.472 CV 1 ASSI { 1968} (( segid " " and resid 54 and name HN )) ( segid " " and resid 54 and name HE% ) 4.800 2.800 1.200 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.35716E-03 ppm1 8.131 ppm2 7.134 CV 1 ASSI { 1974} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) 3.500 1.500 1.500 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.32805E-03 ppm1 7.826 ppm2 8.213 CV 1 ASSI { 1975} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HN )) 4.700 2.800 1.300 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.26120E-03 ppm1 7.824 ppm2 8.135 CV 1 ASSI { 1977} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HN )) 5.500 3.800 0.500 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.21682E-03 ppm1 7.827 ppm2 8.868 CV 1 ASSI { 1985} (( segid " " and resid 56 and name HN )) (( segid " " and resid 80 and name HE21)) 3.700 3.700 2.300 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.24256E-02 ppm1 7.827 ppm2 7.649 CV 1 ASSI { 1989} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HA )) 2.900 1.000 1.000 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.30842E-02 ppm1 7.825 ppm2 4.184 CV 1 ASSI { 1990} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.56476E-02 ppm1 7.825 ppm2 4.491 CV 1 ASSI { 1991} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.000 1.100 1.100 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.16002E-02 ppm1 7.826 ppm2 4.677 CV 1 ASSI { 1992} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HA )) 4.900 3.000 1.100 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.20751E-03 ppm1 7.823 ppm2 4.841 CV 1 ASSI { 1993} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HB1 )) 3.900 1.900 1.900 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.37247E-03 ppm1 7.825 ppm2 3.437 CV 1 ASSI { 1994} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 4.100 2.100 1.900 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.50086E-03 ppm1 7.826 ppm2 3.256 CV 1 ASSI { 1997} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HB2 )) 3.300 1.400 1.400 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.45412E-03 ppm1 7.825 ppm2 2.742 CV 1 ASSI { 2000} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HB1 )) 5.100 3.200 0.900 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.27756E-03 ppm1 7.826 ppm2 2.463 CV 1 ASSI { 2001} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG1%) 2.900 1.000 1.000 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.28915E-02 ppm1 7.826 ppm2 0.939 CV 1 OR { 2001} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG2%) ASSI { 2010} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG1 )) 3.700 1.700 1.700 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.61048E-03 ppm1 9.879 ppm2 1.355 CV 1 OR { 2010} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG2 )) ASSI { 2018} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 3.700 1.700 1.700 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 9.879 ppm2 0.340 CV 1 ASSI { 2022} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HE2 )) 4.600 2.600 1.400 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.17364E-03 ppm1 9.883 ppm2 2.932 CV 1 OR { 2022} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HE1 )) ASSI { 2024} (( segid " " and resid 58 and name HN )) (( segid " " and resid 54 and name HB2 )) 6.000 5.000 0.000 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.59199E-04 ppm1 9.880 ppm2 2.720 CV 1 ASSI { 2025} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.800 2.900 1.200 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.40744E-03 ppm1 9.879 ppm2 2.475 CV 1 ASSI { 2027} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HG2 )) 2.000 0.500 0.500 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.18481E-02 ppm1 9.879 ppm2 2.299 CV 1 ASSI { 2029} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HB2 )) 5.700 4.000 0.300 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.33616E-03 ppm1 9.880 ppm2 2.118 CV 1 ASSI { 2031} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HG2 )) 5.700 4.100 0.300 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.15092E-03 ppm1 9.881 ppm2 1.945 CV 1 OR { 2031} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 2032} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 1.900 0.500 0.500 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.78991E-02 ppm1 9.879 ppm2 4.737 CV 1 ASSI { 2034} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.700 0.900 0.900 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.13915E-02 ppm1 9.879 ppm2 4.524 CV 1 ASSI { 2037} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HA )) 4.900 3.000 1.100 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.27858E-03 ppm1 9.880 ppm2 4.180 CV 1 ASSI { 2039} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HD1 )) 3.600 1.600 1.600 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.45245E-03 ppm1 9.880 ppm2 3.792 CV 1 OR { 2039} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HD2 )) ASSI { 2040} (( segid " " and resid 58 and name HN )) ( segid " " and resid 75 and name HE% ) 5.400 3.600 0.600 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.16202E-03 ppm1 9.877 ppm2 6.550 CV 1 ASSI { 2041} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 4.400 2.400 1.600 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.35530E-03 ppm1 9.881 ppm2 8.185 CV 1 ASSI { 2046} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HN )) 6.000 4.600 0.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.14792E-03 ppm1 9.881 ppm2 8.858 CV 1 ASSI { 2054} (( segid " " and resid 60 and name HN )) (( segid " " and resid 48 and name HN )) 4.000 2.000 2.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.11071E-03 ppm1 8.624 ppm2 7.896 CV 1 ASSI { 2055} (( segid " " and resid 60 and name HN )) (( segid " " and resid 63 and name HN )) 5.500 3.800 0.500 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.13300E-03 ppm1 8.627 ppm2 7.591 CV 1 ASSI { 2056} (( segid " " and resid 60 and name HN )) (( segid " " and resid 62 and name HN )) 5.400 3.700 0.600 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.14655E-03 ppm1 8.623 ppm2 7.508 CV 1 ASSI { 2060} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.200 0.600 0.600 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.70152E-02 ppm1 8.624 ppm2 4.400 CV 1 ASSI { 2061} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HA )) 4.900 3.000 1.100 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.35539E-03 ppm1 8.626 ppm2 4.308 CV 1 ASSI { 2062} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.600 0.800 0.800 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.29939E-02 ppm1 8.624 ppm2 4.198 CV 1 ASSI { 2066} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HD1 )) 5.800 4.200 0.200 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.18899E-03 ppm1 8.629 ppm2 3.789 CV 1 OR { 2066} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HD2 )) ASSI { 2072} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB1 )) 2.500 0.800 0.800 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.45920E-02 ppm1 8.624 ppm2 2.608 CV 1 OR { 2072} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB2 )) ASSI { 2073} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HB2 )) 5.300 3.500 0.700 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.22868E-03 ppm1 8.625 ppm2 2.484 CV 1 ASSI { 2074} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 8.623 ppm2 2.386 CV 1 ASSI { 2076} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.800 1.800 1.800 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.12703E-02 ppm1 8.625 ppm2 1.932 CV 1 OR { 2076} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HG2 )) ASSI { 2080} (( segid " " and resid 60 and name HN )) ( segid " " and resid 63 and name HG2%) 5.300 3.500 0.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.28144E-03 ppm1 8.624 ppm2 0.898 CV 1 ASSI { 2081} (( segid " " and resid 60 and name HN )) ( segid " " and resid 63 and name HG1%) 5.900 4.400 0.100 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.15380E-03 ppm1 8.625 ppm2 0.816 CV 1 ASSI { 2082} (( segid " " and resid 60 and name HN )) ( segid " " and resid 58 and name HG2%) 5.900 4.300 0.100 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.83042E-04 ppm1 8.626 ppm2 0.337 CV 1 ASSI { 2086} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.500 0.800 0.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.34404E-02 ppm1 8.672 ppm2 2.486 CV 1 ASSI { 2088} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.000 1.100 1.100 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.14237E-02 ppm1 8.673 ppm2 1.934 CV 1 OR { 2088} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HG2 )) ASSI { 2095} (( segid " " and resid 61 and name HN )) ( segid " " and resid 58 and name HG2%) 6.000 4.700 0.000 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.80777E-04 ppm1 8.676 ppm2 0.342 CV 1 ASSI { 2097} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HA )) 6.000 5.400 0.000 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.84349E-04 ppm1 8.674 ppm2 4.674 CV 1 ASSI { 2099} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HA )) 4.400 2.400 1.600 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.40276E-03 ppm1 8.670 ppm2 4.408 CV 1 ASSI { 2100} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.800 1.000 1.000 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.25843E-02 ppm1 8.673 ppm2 4.320 CV 1 ASSI { 2101} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 2.900 1.000 1.000 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 8.677 ppm2 4.200 CV 1 ASSI { 2107} (( segid " " and resid 61 and name HN )) (( segid " " and resid 63 and name HN )) 4.300 2.300 1.700 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.57924E-03 ppm1 8.670 ppm2 7.597 CV 1 ASSI { 2108} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.500 0.800 0.800 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.23698E-02 ppm1 8.671 ppm2 7.514 CV 1 ASSI { 2119} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HD22)) 4.200 2.300 1.800 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.15171E-02 ppm1 7.578 ppm2 7.754 CV 1 ASSI { 2126} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.300 0.700 0.700 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.30635E-02 ppm1 7.579 ppm2 7.170 CV 1 ASSI { 2128} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.800 1.800 1.800 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.52909E-03 ppm1 7.580 ppm2 4.671 CV 1 ASSI { 2131} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HA )) 4.100 2.100 1.900 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.40853E-03 ppm1 7.579 ppm2 4.318 CV 1 ASSI { 2136} (( segid " " and resid 63 and name HN )) (( segid " " and resid 59 and name HD2 )) 4.800 2.900 1.200 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.18395E-03 ppm1 7.582 ppm2 3.798 CV 1 ASSI { 2137} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB1 )) 5.600 3.900 0.400 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.25669E-03 ppm1 7.579 ppm2 2.632 CV 1 ASSI { 2138} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 5.500 3.800 0.500 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.24784E-03 ppm1 7.574 ppm2 2.508 CV 1 ASSI { 2139} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) 3.300 1.300 1.300 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.20840E-02 ppm1 7.579 ppm2 2.420 CV 1 OR { 2139} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 2144} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB )) 2.100 0.500 0.500 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.57266E-02 ppm1 7.580 ppm2 2.022 CV 1 ASSI { 2145} (( segid " " and resid 63 and name HN )) (( segid " " and resid 59 and name HB2 )) 4.700 2.700 1.300 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.40184E-03 ppm1 7.580 ppm2 1.928 CV 1 ASSI { 2150} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HG1 )) 4.800 2.900 1.200 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.29735E-03 ppm1 7.582 ppm2 1.396 CV 1 OR { 2150} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HG2 )) ASSI { 2160} (( segid " " and resid 63 and name HN )) ( segid " " and resid 66 and name HD1%) 5.200 3.300 0.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.28066E-03 ppm1 7.577 ppm2 0.426 CV 1 ASSI { 2161} (( segid " " and resid 63 and name HN )) ( segid " " and resid 58 and name HG2%) 3.200 1.300 1.300 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.13189E-02 ppm1 7.579 ppm2 0.339 CV 1 ASSI { 2163} (( segid " " and resid 64 and name HN )) ( segid " " and resid 66 and name HD1%) 5.500 3.800 0.500 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.16619E-03 ppm1 7.171 ppm2 0.399 CV 1 ASSI { 2164} (( segid " " and resid 64 and name HN )) ( segid " " and resid 58 and name HG2%) 5.000 3.100 1.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.21830E-03 ppm1 7.175 ppm2 0.337 CV 1 ASSI { 2165} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HG2%) 3.700 1.700 1.700 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 7.173 ppm2 0.906 CV 1 ASSI { 2167} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG1 )) 2.200 0.600 0.600 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.43971E-02 ppm1 7.174 ppm2 1.396 CV 1 OR { 2167} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HG2 )) ASSI { 2168} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB1 )) 2.500 0.800 0.800 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.40636E-02 ppm1 7.173 ppm2 1.773 CV 1 OR { 2168} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 2169} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HD2 )) 4.800 2.800 1.200 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.91470E-03 ppm1 7.174 ppm2 1.670 CV 1 OR { 2169} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HD1 )) ASSI { 2170} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB )) 3.100 1.200 1.200 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.23419E-02 ppm1 7.173 ppm2 2.020 CV 1 ASSI { 2171} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H43B)) 5.800 4.300 0.200 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.95622E-04 ppm1 7.181 ppm2 2.801 CV 1 OR { 2171} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H43A)) ASSI { 2172} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HB2 )) 5.400 3.700 0.600 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.24224E-03 ppm1 7.174 ppm2 2.729 CV 1 ASSI { 2177} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H37B)) 5.100 3.300 0.900 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.10083E-03 ppm1 7.173 ppm2 3.469 CV 1 OR { 2177} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H37A)) ASSI { 2181} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) 4.500 2.600 1.500 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.19664E-03 ppm1 7.173 ppm2 4.668 CV 1 ASSI { 2190} (( segid " " and resid 64 and name HN )) (( segid " " and resid 67 and name HN )) 5.400 3.600 0.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.15435E-03 ppm1 7.174 ppm2 8.234 CV 1 ASSI { 2197} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 2.300 0.700 0.700 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.41977E-02 ppm1 7.174 ppm2 7.267 CV 1 ASSI { 2198} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HN )) 4.100 2.100 1.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.10065E-03 ppm1 7.181 ppm2 8.694 CV 1 ASSI { 2202} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HN )) 5.300 3.500 0.700 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.15113E-03 ppm1 7.268 ppm2 8.215 CV 1 ASSI { 2206} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HN )) 4.300 2.300 1.700 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.44571E-03 ppm1 7.267 ppm2 7.616 CV 1 ASSI { 2217} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 7.267 ppm2 3.974 CV 1 ASSI { 2220} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HA )) 4.800 2.800 1.200 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.31393E-03 ppm1 7.267 ppm2 4.670 CV 1 ASSI { 2223} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HA )) 3.400 1.400 1.400 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.74044E-03 ppm1 7.266 ppm2 3.212 CV 1 ASSI { 2225} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.39789E-02 ppm1 7.267 ppm2 2.738 CV 1 ASSI { 2226} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB1 )) 5.000 3.100 1.000 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.41576E-03 ppm1 7.268 ppm2 2.166 CV 1 ASSI { 2229} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HB2 )) 5.000 3.200 1.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.27199E-03 ppm1 7.268 ppm2 2.406 CV 1 OR { 2229} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 2231} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HD2 )) 5.200 3.400 0.800 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.40932E-03 ppm1 7.268 ppm2 1.666 CV 1 OR { 2231} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HD1 )) ASSI { 2233} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG2 )) 2.700 0.900 0.900 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.12280E-02 ppm1 7.267 ppm2 1.395 CV 1 OR { 2233} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HG1 )) ASSI { 2234} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB2 )) 4.900 3.000 1.100 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.20869E-03 ppm1 7.268 ppm2 0.993 CV 1 ASSI { 2241} (( segid " " and resid 66 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 6.000 0.000 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.94480E-04 ppm1 7.717 ppm2 4.087 CV 1 ASSI { 2242} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.82700E-03 ppm1 7.716 ppm2 3.972 CV 1 ASSI { 2244} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) 3.200 1.300 1.300 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.13904E-02 ppm1 7.716 ppm2 3.206 CV 1 ASSI { 2246} (( segid " " and resid 66 and name HN )) (( segid " " and resid 71 and name HB2 )) 6.000 5.000 0.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.21672E-03 ppm1 7.714 ppm2 2.928 CV 1 ASSI { 2247} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.600 1.600 1.600 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.79109E-03 ppm1 7.716 ppm2 2.735 CV 1 ASSI { 2249} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H38B)) 3.600 3.600 2.400 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.22028E-03 ppm1 7.712 ppm2 2.467 CV 1 OR { 2249} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H38A)) ASSI { 2251} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H2B )) 4.000 2.000 2.000 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.44577E-03 ppm1 7.715 ppm2 2.252 CV 1 OR { 2251} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H2A )) ASSI { 2252} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.000 1.100 1.100 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.39880E-02 ppm1 7.716 ppm2 2.160 CV 1 ASSI { 2259} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG2 )) 5.100 3.200 0.900 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.22503E-03 ppm1 7.716 ppm2 1.458 CV 1 ASSI { 2260} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HG2 )) 5.300 3.500 0.700 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.19992E-03 ppm1 7.717 ppm2 1.392 CV 1 OR { 2260} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HG1 )) ASSI { 2268} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HD2%) 3.500 1.600 1.600 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.18884E-02 ppm1 7.716 ppm2 0.599 CV 1 ASSI { 2273} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.300 0.600 0.600 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.45446E-02 ppm1 7.716 ppm2 7.267 CV 1 ASSI { 2274} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.99285E-03 ppm1 7.716 ppm2 7.170 CV 1 ASSI { 2276} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HD21)) 4.600 2.700 1.400 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.46943E-03 ppm1 7.714 ppm2 7.003 CV 1 ASSI { 2281} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.500 1.500 1.500 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.87162E-03 ppm1 7.716 ppm2 4.880 CV 1 ASSI { 2282} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HA )) 4.100 2.100 1.900 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.95873E-04 ppm1 7.719 ppm2 4.659 CV 1 ASSI { 2295} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 2.500 0.800 0.800 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.50159E-02 ppm1 8.209 ppm2 8.599 CV 1 ASSI { 2302} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 3.200 1.200 1.200 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.92315E-03 ppm1 8.210 ppm2 7.733 CV 1 ASSI { 2308} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HA )) 5.400 3.600 0.600 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.13192E-03 ppm1 8.210 ppm2 5.245 CV 1 ASSI { 2313} (( segid " " and resid 67 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.800 1.800 1.800 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.17263E-02 ppm1 8.209 ppm2 2.923 CV 1 ASSI { 2314} (( segid " " and resid 67 and name HN )) (( segid " " and resid 40 and name H43B)) 5.300 3.500 0.700 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.98395E-04 ppm1 8.206 ppm2 2.820 CV 1 OR { 2314} (( segid " " and resid 67 and name HN )) (( segid " " and resid 40 and name H43A)) ASSI { 2317} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 4.000 2.000 2.000 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.64730E-03 ppm1 8.210 ppm2 2.161 CV 1 ASSI { 2318} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.600 0.900 0.900 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.59664E-02 ppm1 8.209 ppm2 2.057 CV 1 OR { 2318} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 2323} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG1 )) 3.600 1.600 1.600 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.13809E-02 ppm1 8.210 ppm2 1.567 CV 1 ASSI { 2325} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HG2%) 4.100 2.100 1.900 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.97367E-03 ppm1 8.213 ppm2 1.060 CV 1 ASSI { 2331} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HD1%) 5.700 4.000 0.300 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.20619E-03 ppm1 8.208 ppm2 0.417 CV 1 ASSI { 2333} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) 3.000 1.100 1.100 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.30230E-02 ppm1 8.598 ppm2 2.057 CV 1 OR { 2333} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 2338} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HG2%) 2.900 1.100 1.100 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.28301E-02 ppm1 8.598 ppm2 1.057 CV 1 ASSI { 2342} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.19731E-02 ppm1 8.597 ppm2 2.924 CV 1 ASSI { 2343} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB1 )) 2.600 0.900 0.900 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.33877E-02 ppm1 8.598 ppm2 3.116 CV 1 ASSI { 2345} (( segid " " and resid 68 and name HN )) (( segid " " and resid 31 and name HA )) 5.100 3.200 0.900 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.29348E-03 ppm1 8.598 ppm2 4.908 CV 1 ASSI { 2351} (( segid " " and resid 68 and name HN )) ( segid " " and resid 32 and name HD% ) 4.500 2.600 1.500 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.18276E-03 ppm1 8.596 ppm2 7.195 CV 1 ASSI { 2352} (( segid " " and resid 68 and name HN )) ( segid " " and resid 32 and name HE% ) 4.800 2.900 1.200 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.23603E-03 ppm1 8.600 ppm2 6.994 CV 1 ASSI { 2354} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HN )) 4.100 2.100 1.900 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.92146E-03 ppm1 8.597 ppm2 8.358 CV 1 ASSI { 2357} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 4.400 2.400 1.600 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.38913E-03 ppm1 8.599 ppm2 8.115 CV 1 ASSI { 2359} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HN )) 5.400 3.600 0.600 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.16057E-03 ppm1 8.598 ppm2 7.730 CV 1 ASSI { 2363} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HN )) 4.900 3.000 1.100 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.14920E-03 ppm1 8.137 ppm2 8.650 CV 1 ASSI { 2366} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HN )) 3.200 1.300 1.300 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.14804E-02 ppm1 8.141 ppm2 8.316 CV 1 ASSI { 2367} (( segid " " and resid 69 and name HN )) (( segid " " and resid 32 and name HN )) 3.100 1.200 1.200 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.18265E-02 ppm1 8.141 ppm2 8.238 CV 1 ASSI { 2369} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 2.600 0.900 0.900 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.19608E-02 ppm1 8.139 ppm2 9.410 CV 1 ASSI { 2370} (( segid " " and resid 69 and name HN )) (( segid " " and resid 30 and name HN )) 3.600 1.600 1.600 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.50949E-03 ppm1 8.137 ppm2 7.501 CV 1 ASSI { 2372} (( segid " " and resid 69 and name HN )) ( segid " " and resid 32 and name HD% ) 4.100 2.100 1.900 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.24905E-03 ppm1 8.137 ppm2 7.188 CV 1 ASSI { 2375} (( segid " " and resid 69 and name HN )) ( segid " " and resid 32 and name HE% ) 5.200 3.400 0.800 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.16885E-03 ppm1 8.140 ppm2 6.989 CV 1 ASSI { 2376} (( segid " " and resid 69 and name HN )) (( segid " " and resid 32 and name HZ )) 6.000 4.900 0.000 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.17429E-03 ppm1 8.133 ppm2 6.840 CV 1 ASSI { 2384} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HA1 )) 5.200 3.400 0.800 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.26654E-03 ppm1 8.139 ppm2 4.024 CV 1 ASSI { 2388} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HB2 )) 5.900 4.400 0.100 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.80297E-04 ppm1 8.136 ppm2 2.903 CV 1 ASSI { 2389} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB )) 2.300 0.700 0.700 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.41365E-02 ppm1 8.139 ppm2 2.275 CV 1 ASSI { 2390} (( segid " " and resid 69 and name HN )) (( segid " " and resid 30 and name HB1 )) 4.300 2.300 1.700 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.41902E-03 ppm1 8.140 ppm2 2.043 CV 1 ASSI { 2392} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG2%) 3.800 1.800 1.800 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.15865E-02 ppm1 8.137 ppm2 1.060 CV 1 ASSI { 2395} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HG2%) 2.700 0.900 0.900 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.14336E-02 ppm1 8.139 ppm2 0.641 CV 1 ASSI { 2406} (( segid " " and resid 70 and name HN )) (( segid " " and resid 28 and name HB1 )) 4.900 3.000 1.100 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.48514E-03 ppm1 9.413 ppm2 1.749 CV 1 OR { 2406} (( segid " " and resid 70 and name HN )) (( segid " " and resid 28 and name HG )) ASSI { 2412} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA1 )) 2.100 0.500 0.500 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.54247E-02 ppm1 9.410 ppm2 4.013 CV 1 ASSI { 2420} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HB1 )) 5.500 3.700 0.500 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.18814E-03 ppm1 9.415 ppm2 3.119 CV 1 ASSI { 2421} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HB2 )) 6.000 4.400 0.000 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.86094E-04 ppm1 9.414 ppm2 2.922 CV 1 ASSI { 2425} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB )) 5.000 3.100 1.000 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.47674E-03 ppm1 9.411 ppm2 4.180 CV 1 ASSI { 2431} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HN )) 4.400 2.400 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.30743E-03 ppm1 9.410 ppm2 8.663 CV 1 ASSI { 2432} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HN )) 5.400 3.700 0.600 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.15540E-03 ppm1 9.408 ppm2 8.588 CV 1 ASSI { 2433} (( segid " " and resid 70 and name HN )) (( segid " " and resid 28 and name HN )) 5.000 3.100 1.000 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.30686E-03 ppm1 9.413 ppm2 8.442 CV 1 ASSI { 2437} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HN )) 5.200 3.400 0.800 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.19304E-03 ppm1 9.407 ppm2 8.030 CV 1 ASSI { 2444} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HA )) 4.700 2.800 1.300 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.21413E-03 ppm1 8.340 ppm2 5.253 CV 1 ASSI { 2449} (( segid " " and resid 71 and name HN )) (( segid " " and resid 28 and name HA )) 5.400 3.700 0.600 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.22743E-03 ppm1 8.342 ppm2 3.574 CV 1 ASSI { 2450} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 2.900 1.100 1.100 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.31225E-02 ppm1 8.342 ppm2 3.117 CV 1 ASSI { 2451} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HE2 )) 4.900 2.900 1.100 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.16761E-03 ppm1 8.340 ppm2 3.019 CV 1 OR { 2451} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HE1 )) ASSI { 2452} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.500 0.800 0.800 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.19832E-02 ppm1 8.341 ppm2 2.924 CV 1 ASSI { 2453} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HB )) 5.000 3.100 1.000 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.27538E-03 ppm1 8.343 ppm2 4.189 CV 1 ASSI { 2455} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA1 )) 2.700 0.900 0.900 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.19419E-02 ppm1 8.344 ppm2 4.011 CV 1 ASSI { 2456} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB )) 5.200 3.400 0.800 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.23847E-03 ppm1 8.342 ppm2 2.266 CV 1 ASSI { 2459} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HB1 )) 5.400 3.700 0.600 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.13644E-03 ppm1 8.342 ppm2 1.955 CV 1 OR { 2459} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 2465} (( segid " " and resid 71 and name HN )) ( segid " " and resid 28 and name HD1%) 5.000 3.100 1.000 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.29646E-03 ppm1 8.339 ppm2 0.798 CV 1 ASSI { 2468} (( segid " " and resid 71 and name HN )) ( segid " " and resid 72 and name HB% ) 4.500 2.500 1.500 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.58166E-03 ppm1 8.342 ppm2 1.585 CV 1 ASSI { 2470} (( segid " " and resid 71 and name HN )) ( segid " " and resid 32 and name HD% ) 3.600 3.600 2.400 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.20061E-03 ppm1 8.339 ppm2 7.200 CV 1 ASSI { 2474} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HN )) 2.600 0.800 0.800 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.21135E-02 ppm1 8.342 ppm2 9.411 CV 1 ASSI { 2479} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.30961E-02 ppm1 8.643 ppm2 8.040 CV 1 ASSI { 2490} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA1 )) 4.500 2.600 1.500 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.53512E-03 ppm1 8.643 ppm2 4.002 CV 1 ASSI { 2500} (( segid " " and resid 73 and name HN )) ( segid " " and resid 72 and name HB% ) 2.600 0.800 0.800 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.32003E-02 ppm1 8.643 ppm2 1.587 CV 1 ASSI { 2508} (( segid " " and resid 73 and name HN )) ( segid " " and resid 8 and name HG2%) 4.800 2.900 1.200 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.28721E-03 ppm1 8.640 ppm2 1.034 CV 1 ASSI { 2523} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.55270E-02 ppm1 8.041 ppm2 1.974 CV 1 ASSI { 2528} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG2 )) 4.300 2.300 1.700 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.96778E-03 ppm1 8.039 ppm2 1.470 CV 1 OR { 2528} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG1 )) ASSI { 2529} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.900 3.000 1.100 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.40170E-03 ppm1 8.042 ppm2 3.109 CV 1 OR { 2529} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 2555} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HN )) 3.200 1.300 1.300 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.18107E-02 ppm1 8.041 ppm2 8.149 CV 1 ASSI { 2556} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.400 0.700 0.700 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.34465E-02 ppm1 7.944 ppm2 8.510 CV 1 ASSI { 2561} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA )) 5.200 3.300 0.800 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.28647E-03 ppm1 7.943 ppm2 3.502 CV 1 ASSI { 2562} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) 4.100 2.100 1.900 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.38821E-03 ppm1 7.944 ppm2 3.669 CV 1 ASSI { 2566} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.400 1.500 1.500 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.18705E-02 ppm1 7.945 ppm2 1.909 CV 1 ASSI { 2567} (( segid " " and resid 75 and name HN )) ( segid " " and resid 76 and name HD1%) 4.000 2.000 2.000 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.14194E-02 ppm1 7.947 ppm2 0.608 CV 1 ASSI { 2568} (( segid " " and resid 75 and name HN )) ( segid " " and resid 76 and name HG2%) 5.500 3.800 0.500 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.33439E-03 ppm1 7.943 ppm2 0.523 CV 1 ASSI { 2569} (( segid " " and resid 75 and name HN )) ( segid " " and resid 66 and name HD1%) 4.900 3.000 1.100 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.38509E-03 ppm1 7.943 ppm2 0.414 CV 1 ASSI { 2593} (( segid " " and resid 76 and name HN )) ( segid " " and resid 66 and name HD1%) 4.700 2.800 1.300 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.25687E-03 ppm1 8.503 ppm2 0.431 CV 1 ASSI { 2594} (( segid " " and resid 76 and name HN )) ( segid " " and resid 58 and name HG2%) 5.800 4.200 0.200 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.15175E-03 ppm1 8.506 ppm2 0.348 CV 1 ASSI { 2602} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HD22)) 1.600 0.300 0.600 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.15726E-01 ppm1 7.004 ppm2 7.743 CV 1 ASSI { 2604} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 63 and name HN )) 4.100 2.100 1.900 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.50191E-03 ppm1 6.999 ppm2 7.570 CV 1 ASSI { 2605} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.15285E-03 ppm1 7.002 ppm2 7.481 CV 1 ASSI { 2606} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HN )) 2.900 1.000 1.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.65534E-03 ppm1 7.004 ppm2 7.265 CV 1 ASSI { 2607} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 64 and name HN )) 4.100 2.100 1.900 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.60596E-03 ppm1 6.997 ppm2 7.165 CV 1 ASSI { 2625} (( segid " " and resid 35 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.600 1.600 1.600 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.94211E-03 ppm1 7.721 ppm2 4.095 CV 1 ASSI { 2630} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.20722E-02 ppm1 7.714 ppm2 4.627 CV 1 ASSI { 2633} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) 3.800 1.800 1.800 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.19215E-02 ppm1 7.714 ppm2 4.388 CV 1 ASSI { 2634} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HA )) 5.800 4.200 0.200 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.11648E-03 ppm1 7.004 ppm2 4.878 CV 1 ASSI { 2636} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 62 and name HA )) 3.800 1.800 1.800 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.23829E-03 ppm1 7.006 ppm2 4.676 CV 1 ASSI { 2638} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HB2 )) 5.000 3.100 1.000 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.19629E-03 ppm1 7.723 ppm2 3.154 CV 1 OR { 2638} (( segid " " and resid 35 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 2639} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.000 1.100 1.100 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.37372E-02 ppm1 7.729 ppm2 3.050 CV 1 ASSI { 2640} (( segid " " and resid 65 and name HD22)) (( segid " " and resid 64 and name HE1 )) 4.700 2.800 1.300 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.22854E-03 ppm1 7.731 ppm2 2.968 CV 1 ASSI { 2642} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.200 0.600 0.600 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.44001E-02 ppm1 7.736 ppm2 2.732 CV 1 ASSI { 2645} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.400 0.700 0.700 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.38940E-02 ppm1 7.711 ppm2 2.518 CV 1 ASSI { 2646} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HB1 )) 5.200 3.300 0.800 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.57444E-03 ppm1 7.713 ppm2 2.325 CV 1 ASSI { 2651} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.300 1.300 1.300 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.10662E-02 ppm1 7.711 ppm2 3.501 CV 1 ASSI { 2652} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HB1 )) 4.200 2.200 1.800 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.72687E-03 ppm1 7.001 ppm2 3.056 CV 1 ASSI { 2653} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HB2 )) 2.600 0.900 0.900 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.14958E-02 ppm1 7.004 ppm2 2.740 CV 1 ASSI { 2655} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 62 and name HB2 )) 5.200 3.300 0.800 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.13068E-03 ppm1 6.999 ppm2 2.415 CV 1 OR { 2655} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 62 and name HB1 )) ASSI { 2661} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 64 and name HG2 )) 4.200 2.200 1.800 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.21332E-03 ppm1 7.004 ppm2 1.399 CV 1 OR { 2661} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 64 and name HG1 )) ASSI { 2666} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HG )) 4.300 2.300 1.700 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.77077E-03 ppm1 7.725 ppm2 1.479 CV 1 ASSI { 2667} (( segid " " and resid 65 and name HD22)) (( segid " " and resid 64 and name HG2 )) 3.800 1.800 1.800 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.47414E-03 ppm1 7.731 ppm2 1.407 CV 1 OR { 2667} (( segid " " and resid 65 and name HD22)) (( segid " " and resid 64 and name HG1 )) ASSI { 2670} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HG2%) 4.600 2.700 1.400 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.71271E-03 ppm1 7.711 ppm2 0.945 CV 1 OR { 2670} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 2672} (( segid " " and resid 79 and name HN )) ( segid " " and resid 77 and name HD1%) 4.700 2.700 1.300 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.23111E-03 ppm1 7.713 ppm2 0.828 CV 1 OR { 2672} (( segid " " and resid 79 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 2673} (( segid " " and resid 35 and name HN )) ( segid " " and resid 36 and name HD2%) 5.600 4.000 0.400 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.29812E-03 ppm1 7.724 ppm2 0.781 CV 1 ASSI { 2674} (( segid " " and resid 35 and name HN )) ( segid " " and resid 36 and name HD1%) 5.600 3.900 0.400 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.31236E-03 ppm1 7.719 ppm2 0.611 CV 1 ASSI { 2675} (( segid " " and resid 79 and name HN )) ( segid " " and resid 76 and name HG2%) 4.400 2.400 1.600 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.44702E-03 ppm1 7.710 ppm2 0.531 CV 1 ASSI { 2678} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 16 and name HD22)) 1.600 0.300 0.600 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.15002E-01 ppm1 6.853 ppm2 8.065 CV 1 ASSI { 2684} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 21 and name HN )) 4.800 2.900 1.200 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.45558E-03 ppm1 8.069 ppm2 6.453 CV 1 ASSI { 2685} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 24 and name HN )) 5.100 3.300 0.900 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.99870E-04 ppm1 8.065 ppm2 9.249 CV 1 ASSI { 2686} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 15 and name HN )) 5.500 3.700 0.500 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.15304E-03 ppm1 8.070 ppm2 8.801 CV 1 ASSI { 2691} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 24 and name HN )) 5.800 4.200 0.200 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.81727E-04 ppm1 6.853 ppm2 9.233 CV 1 ASSI { 2692} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 15 and name HN )) 5.500 3.800 0.500 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.13262E-03 ppm1 6.855 ppm2 8.807 CV 1 ASSI { 2693} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 16 and name HN )) 3.400 1.500 1.500 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.31635E-03 ppm1 6.851 ppm2 8.692 CV 1 ASSI { 2704} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 26 and name HN )) 4.100 2.100 1.900 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 6.837 ppm2 7.515 CV 1 ASSI { 2707} (( segid " " and resid 16 and name HD21)) ( segid " " and resid 32 and name HE% ) 4.100 2.100 1.900 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 6.851 ppm2 7.027 CV 1 ASSI { 2711} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 21 and name HN )) 4.300 2.300 1.700 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.21430E-03 ppm1 6.852 ppm2 6.448 CV 1 ASSI { 2725} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 16 and name HB1 )) 3.300 1.400 1.400 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.26499E-02 ppm1 8.069 ppm2 3.106 CV 1 ASSI { 2729} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 16 and name HB1 )) 3.100 1.200 1.200 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.14621E-02 ppm1 6.852 ppm2 3.107 CV 1 ASSI { 2730} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 16 and name HB2 )) 3.700 1.700 1.700 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.83348E-03 ppm1 6.852 ppm2 2.749 CV 1 ASSI { 2740} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 15 and name HB )) 4.800 2.900 1.200 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.15509E-03 ppm1 8.069 ppm2 2.272 CV 1 ASSI { 2747} (( segid " " and resid 16 and name HD22)) ( segid " " and resid 12 and name HB% ) 4.100 2.100 1.900 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.10582E-03 ppm1 8.069 ppm2 1.710 CV 1 ASSI { 2751} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 77 and name HN )) 5.000 3.100 1.000 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.11606E-03 ppm1 7.651 ppm2 8.494 CV 1 ASSI { 2765} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 54 and name HD% ) 3.000 1.100 1.100 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.75770E-03 ppm1 7.736 ppm2 7.478 CV 1 ASSI { 2766} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 54 and name HD% ) 3.800 1.800 1.800 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.14657E-02 ppm1 7.653 ppm2 7.475 CV 1 ASSI { 2772} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 2 and name HA )) 3.600 1.600 1.600 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.20311E-03 ppm1 7.737 ppm2 4.840 CV 1 ASSI { 2773} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 2 and name HA )) 3.400 3.400 2.600 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.27648E-03 ppm1 7.653 ppm2 4.836 CV 1 ASSI { 2774} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HA )) 4.600 2.600 1.400 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.24054E-03 ppm1 7.735 ppm2 4.424 CV 1 ASSI { 2775} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HA )) 3.600 1.600 1.600 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.29539E-03 ppm1 7.652 ppm2 4.427 CV 1 ASSI { 2779} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 77 and name HA )) 3.700 1.700 1.700 peak 2779 spectrum 1 weight 0.10000E+01 volume 0.20765E-02 ppm1 7.736 ppm2 3.897 CV 1 ASSI { 2782} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 54 and name HB1 )) 3.600 1.600 1.600 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.29022E-03 ppm1 7.737 ppm2 3.436 CV 1 ASSI { 2784} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HG1 )) 3.500 1.500 1.500 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.26735E-02 ppm1 7.736 ppm2 2.711 CV 1 ASSI { 2785} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HG1 )) 3.400 1.500 1.500 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.13108E-02 ppm1 7.653 ppm2 2.709 CV 1 ASSI { 2786} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HG2 )) 3.400 1.500 1.500 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.18215E-02 ppm1 7.737 ppm2 2.587 CV 1 ASSI { 2789} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HB1 )) 4.600 2.700 1.400 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.41417E-03 ppm1 7.736 ppm2 2.351 CV 1 ASSI { 2790} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HB1 )) 4.800 2.900 1.200 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.27324E-03 ppm1 7.653 ppm2 2.331 CV 1 ASSI { 2791} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HB2 )) 5.400 3.700 0.600 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.41761E-03 ppm1 7.736 ppm2 2.143 CV 1 ASSI { 2792} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HB2 )) 5.200 3.300 0.800 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.25735E-03 ppm1 7.652 ppm2 2.141 CV 1 ASSI { 2793} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 56 and name HB )) 5.000 3.200 1.000 peak 2793 spectrum 1 weight 0.10000E+01 volume 0.12120E-03 ppm1 7.651 ppm2 2.002 CV 1 ASSI { 2794} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 76 and name HB )) 5.500 3.800 0.500 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.17739E-03 ppm1 7.740 ppm2 1.770 CV 1 ASSI { 2795} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 76 and name HB )) 4.800 2.900 1.200 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.19266E-03 ppm1 7.656 ppm2 1.772 CV 1 ASSI { 2796} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 77 and name HB2 )) 3.500 1.600 1.600 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.23210E-03 ppm1 7.729 ppm2 1.666 CV 1 OR { 2796} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 77 and name HG )) ASSI { 2797} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 77 and name HB2 )) 4.800 2.900 1.200 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.17026E-03 ppm1 7.655 ppm2 1.674 CV 1 ASSI { 2808} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 56 and name HG2%) 4.900 2.900 1.100 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.30540E-03 ppm1 7.734 ppm2 0.991 CV 1 ASSI { 2809} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 56 and name HG2%) 4.700 2.700 1.300 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.21778E-03 ppm1 7.652 ppm2 0.989 CV 1 ASSI { 2810} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 56 and name HG2%) 4.700 2.800 1.300 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.34685E-03 ppm1 7.738 ppm2 0.930 CV 1 OR { 2810} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 56 and name HG1%) ASSI { 2811} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 56 and name HG2%) 4.500 2.600 1.500 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.28254E-03 ppm1 7.653 ppm2 0.930 CV 1 OR { 2811} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 56 and name HG1%) ASSI { 2812} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 77 and name HD2%) 2.600 2.600 3.400 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.16127E-02 ppm1 7.737 ppm2 0.822 CV 1 OR { 2812} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 77 and name HD1%) ASSI { 2821} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HE% ) 5.200 3.400 0.800 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.17346E-03 ppm1 7.710 ppm2 6.560 CV 1 ASSI { 2831} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.29464E-02 ppm1 7.711 ppm2 8.278 CV 1 ASSI { 2844} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 4.100 2.100 1.900 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.13171E-02 ppm1 7.877 ppm2 8.305 CV 1 ASSI { 2848} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HN )) 4.100 2.100 1.900 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.51863E-03 ppm1 7.877 ppm2 8.496 CV 1 ASSI { 2858} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.500 0.800 0.800 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.36563E-02 ppm1 7.877 ppm2 4.414 CV 1 ASSI { 2860} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.700 1.700 1.700 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.57778E-03 ppm1 7.877 ppm2 3.501 CV 1 ASSI { 2861} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 4.000 2.000 2.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.63337E-03 ppm1 7.875 ppm2 3.891 CV 1 ASSI { 2863} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG1 )) 3.200 1.300 1.300 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.45272E-02 ppm1 7.877 ppm2 2.710 CV 1 ASSI { 2865} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB1 )) 3.500 1.500 1.500 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.32302E-02 ppm1 7.877 ppm2 2.337 CV 1 ASSI { 2866} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 2.500 0.800 0.800 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.35631E-02 ppm1 7.877 ppm2 2.143 CV 1 ASSI { 2875} (( segid " " and resid 80 and name HN )) ( segid " " and resid 77 and name HD1%) 4.600 2.600 1.400 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.28684E-03 ppm1 7.876 ppm2 0.826 CV 1 OR { 2875} (( segid " " and resid 80 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 2878} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 28 and name HD2%) 3.600 1.600 1.600 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.10436E-02 ppm1 7.510 ppm2 0.908 CV 1 ASSI { 2880} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 26 and name HG1%) 6.000 6.000 0.000 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.77027E-04 ppm1 7.514 ppm2 0.717 CV 1 ASSI { 2882} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 4 and name HG1 )) 3.800 1.800 1.800 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.82161E-03 ppm1 6.833 ppm2 2.228 CV 1 OR { 2882} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 4 and name HB1 )) ASSI { 2883} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 4 and name HG2 )) 2.900 1.000 1.000 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.75748E-03 ppm1 6.833 ppm2 2.174 CV 1 OR { 2883} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 4 and name HB1 )) ASSI { 2889} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 28 and name HD2%) 3.600 1.600 1.600 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 6.833 ppm2 0.906 CV 1 ASSI { 2890} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 28 and name HD1%) 4.200 2.200 1.800 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.71833E-03 ppm1 6.834 ppm2 0.812 CV 1 ASSI { 2891} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HG1 )) 3.800 1.800 1.800 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.16315E-02 ppm1 7.509 ppm2 2.225 CV 1 OR { 2891} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HB1 )) ASSI { 2892} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HG2 )) 3.800 1.800 1.800 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 7.510 ppm2 2.171 CV 1 OR { 2892} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HB1 )) ASSI { 2899} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HE21)) 1.500 0.300 0.700 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.23372E-01 ppm1 7.510 ppm2 6.833 CV 1 ASSI { 2907} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HA )) 6.000 5.500 0.000 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.92721E-04 ppm1 7.508 ppm2 3.702 CV 1 ASSI { 2917} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 6 and name HN )) 3.700 1.700 1.700 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.77817E-03 ppm1 6.833 ppm2 7.691 CV 1 ASSI { 2927} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 6 and name HN )) 3.900 1.900 1.900 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.12599E-02 ppm1 7.512 ppm2 7.691 CV 1 ASSI { 2934} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H2B )) 5.300 3.500 0.700 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.91867E-04 ppm1 7.173 ppm2 2.257 CV 1 OR { 2934} (( segid " " and resid 64 and name HN )) (( segid " " and resid 40 and name H2A )) ASSI { 2939} (( segid " " and resid 29 and name HN )) (( segid " " and resid 70 and name HN )) 5.300 3.500 0.700 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.14065E-03 ppm1 8.390 ppm2 9.370 CV 1 ASSI { 2941} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HG2 )) 5.300 3.600 0.700 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.28847E-03 ppm1 7.824 ppm2 2.298 CV 1 ASSI { 2942} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HB2 )) 5.300 3.600 0.700 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.52196E-03 ppm1 7.825 ppm2 2.115 CV 1 ASSI { 2946} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HB% ) 2.700 0.900 0.900 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.20043E-02 ppm1 7.828 ppm2 1.538 CV 1 ASSI { 2948} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HG11)) 4.700 2.800 1.300 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.49264E-03 ppm1 7.826 ppm2 1.310 CV 1 OR { 2948} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HG12)) ASSI { 2951} (( segid " " and resid 20 and name HN )) ( segid " " and resid 21 and name HD1%) 5.500 3.700 0.500 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.31311E-03 ppm1 7.825 ppm2 0.838 CV 1 ASSI { 2953} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HA )) 5.100 3.200 0.900 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.30536E-03 ppm1 7.829 ppm2 4.325 CV 1 ASSI { 2960} (( segid " " and resid 20 and name HN )) (( segid " " and resid 15 and name HA )) 4.500 2.500 1.500 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.28903E-03 ppm1 7.827 ppm2 3.599 CV 1 ASSI { 2965} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 3.400 1.400 1.400 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.13387E-02 ppm1 7.828 ppm2 4.816 CV 1 ASSI { 2967} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.300 0.600 0.600 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.32212E-02 ppm1 7.828 ppm2 6.458 CV 1 ASSI { 2969} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HN )) 5.200 3.400 0.800 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.18785E-03 ppm1 8.386 ppm2 6.352 CV 1 ASSI { 2971} (( segid " " and resid 80 and name HN )) ( segid " " and resid 76 and name HG2%) 4.000 2.000 2.000 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.73624E-03 ppm1 7.877 ppm2 0.533 CV 1 ASSI { 1} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H43A)) 2.200 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.59801E-02 ppm1 3.185 ppm2 2.809 CV 1 OR { 1} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H43B)) OR { 1} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H43A)) OR { 1} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H43B)) ASSI { 2} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H38B)) 2.300 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.56124E-02 ppm1 3.478 ppm2 2.461 CV 1 OR { 2} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H38A)) OR { 2} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H38B)) OR { 2} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H38A)) ASSI { 3} (( segid " " and resid 40 and name H41A)) ( segid " " and resid 40 and name H31%) 4.700 2.700 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.11156E-02 ppm1 8.068 ppm2 0.902 CV 1 ASSI { 4} (( segid " " and resid 40 and name H41A)) ( segid " " and resid 40 and name H30%) 2.700 2.700 3.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 8.070 ppm2 0.869 CV 1 ASSI { 5} (( segid " " and resid 40 and name H36A)) ( segid " " and resid 40 and name H31%) 3.600 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.30998E-02 ppm1 7.996 ppm2 0.902 CV 1 ASSI { 6} (( segid " " and resid 40 and name H36A)) ( segid " " and resid 40 and name H30%) 3.800 1.800 1.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.26921E-02 ppm1 7.995 ppm2 0.870 CV 1 ASSI { 12} (( segid " " and resid 40 and name H36A)) (( segid " " and resid 40 and name H28B)) 3.500 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.63040E-03 ppm1 7.995 ppm2 3.422 CV 1 ASSI { 14} (( segid " " and resid 40 and name H4A )) (( segid " " and resid 40 and name H2A )) 2.300 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.30149E-02 ppm1 0.861 ppm2 2.251 CV 1 OR { 14} (( segid " " and resid 40 and name H4A )) (( segid " " and resid 40 and name H2B )) OR { 14} (( segid " " and resid 40 and name H4B )) (( segid " " and resid 40 and name H2B )) OR { 14} (( segid " " and resid 40 and name H4B )) (( segid " " and resid 40 and name H2A )) ASSI { 15} ( segid " " and resid 40 and name H6% ) (( segid " " and resid 40 and name H4A )) 2.400 0.700 0.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.23863E-02 ppm1 0.635 ppm2 0.849 CV 1 OR { 15} ( segid " " and resid 40 and name H6% ) (( segid " " and resid 40 and name H4B )) ASSI { 16} ( segid " " and resid 40 and name H6% ) (( segid " " and resid 40 and name H5A )) 2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.20352E-02 ppm1 0.635 ppm2 0.973 CV 1 OR { 16} ( segid " " and resid 40 and name H6% ) (( segid " " and resid 40 and name H5B )) ASSI { 17} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H38B)) 4.500 2.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.82398E-03 ppm1 3.191 ppm2 2.461 CV 1 OR { 17} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H38A)) OR { 17} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H38B)) OR { 17} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H38A)) ASSI { 18} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H2A )) 5.100 3.300 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.34441E-03 ppm1 3.186 ppm2 2.256 CV 1 OR { 18} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H2A )) OR { 18} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H2B )) OR { 18} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H2B )) ASSI { 19} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H2A )) 3.200 1.300 1.300 peak 19 spectrum 1 weight 0.10000E+01 volume 0.65351E-03 ppm1 2.811 ppm2 2.253 CV 1 OR { 19} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H2A )) OR { 19} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H2B )) OR { 19} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H2B )) ASSI { 20} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H38B)) 5.000 3.100 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.57371E-03 ppm1 2.815 ppm2 2.458 CV 1 OR { 20} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H38A)) OR { 20} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H38B)) OR { 20} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H38A)) ASSI { 21} (( segid " " and resid 40 and name H42A)) ( segid " " and resid 40 and name H31%) 4.300 2.300 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.13789E-02 ppm1 3.186 ppm2 0.901 CV 1 OR { 21} (( segid " " and resid 40 and name H42B)) ( segid " " and resid 40 and name H31%) ASSI { 22} (( segid " " and resid 40 and name H42A)) ( segid " " and resid 40 and name H30%) 2.800 2.800 3.200 peak 22 spectrum 1 weight 0.10000E+01 volume 0.94704E-03 ppm1 3.191 ppm2 0.870 CV 1 OR { 22} (( segid " " and resid 40 and name H42B)) ( segid " " and resid 40 and name H30%) ASSI { 24} (( segid " " and resid 40 and name H43B)) ( segid " " and resid 40 and name H30%) 2.500 2.500 3.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.20183E-02 ppm1 2.812 ppm2 0.870 CV 1 OR { 24} (( segid " " and resid 40 and name H43A)) ( segid " " and resid 40 and name H30%) ASSI { 31} (( segid " " and resid 40 and name H36A)) (( segid " " and resid 40 and name H32A)) 1.900 0.400 0.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11910E-01 ppm1 7.996 ppm2 4.003 CV 1 ASSI { 37} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H41A)) 2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.15943E-02 ppm1 3.476 ppm2 8.065 CV 1 OR { 37} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H41A)) ASSI { 38} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H36A)) 2.100 0.500 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.62716E-02 ppm1 3.476 ppm2 7.995 CV 1 OR { 38} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H36A)) ASSI { 39} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H41A)) 2.200 0.600 0.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.55202E-02 ppm1 3.188 ppm2 8.066 CV 1 OR { 39} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H41A)) ASSI { 40} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H41A)) 2.900 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.24659E-02 ppm1 2.812 ppm2 8.066 CV 1 OR { 40} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H41A)) ASSI { 41} (( segid " " and resid 40 and name H38B)) (( segid " " and resid 40 and name H41A)) 2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.75053E-02 ppm1 2.461 ppm2 8.065 CV 1 OR { 41} (( segid " " and resid 40 and name H38A)) (( segid " " and resid 40 and name H41A)) ASSI { 42} (( segid " " and resid 40 and name H38A)) (( segid " " and resid 40 and name H36A)) 3.400 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.26585E-02 ppm1 2.461 ppm2 7.995 CV 1 OR { 42} (( segid " " and resid 40 and name H38B)) (( segid " " and resid 40 and name H36A)) ASSI { 43} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H36A)) 5.500 3.800 0.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.24328E-03 ppm1 2.807 ppm2 7.996 CV 1 OR { 43} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H36A)) ASSI { 44} (( segid " " and resid 40 and name H28A)) (( segid " " and resid 40 and name H36A)) 4.700 2.800 1.300 peak 44 spectrum 1 weight 0.10000E+01 volume 0.68992E-03 ppm1 3.740 ppm2 7.996 CV 1 ASSI { 45} (( segid " " and resid 40 and name H2A )) ( segid " " and resid 40 and name H6% ) 4.600 2.600 1.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.83440E-03 ppm1 2.251 ppm2 0.632 CV 1 OR { 45} (( segid " " and resid 40 and name H2B )) ( segid " " and resid 40 and name H6% ) ASSI { 48} (( segid " " and resid 40 and name H2A )) (( segid " " and resid 40 and name H5B )) 3.500 1.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 2.250 ppm2 0.957 CV 1 OR { 48} (( segid " " and resid 40 and name H2B )) (( segid " " and resid 40 and name H5B )) OR { 48} (( segid " " and resid 40 and name H2A )) (( segid " " and resid 40 and name H5A )) OR { 48} (( segid " " and resid 40 and name H2B )) (( segid " " and resid 40 and name H5A )) ASSI { 3} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 40 and name H6% ) 3.400 1.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.11882E-02 ppm1 0.405 ppm2 0.625 CV 1 ASSI { 4} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 40 and name H6% ) 3.500 1.500 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.14251E-02 ppm1 0.326 ppm2 0.626 CV 1 ASSI { 5} (( segid " " and resid 47 and name HA )) ( segid " " and resid 40 and name H6% ) 3.100 1.200 1.200 peak 5 spectrum 1 weight 0.10000E+01 volume 0.12332E-02 ppm1 3.284 ppm2 0.626 CV 1 ASSI { 10} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H42A)) 4.600 2.600 1.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.69933E-03 ppm1 1.439 ppm2 3.184 CV 1 OR { 10} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H42B)) ASSI { 11} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H42B)) 3.900 1.900 1.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.57408E-03 ppm1 1.268 ppm2 3.179 CV 1 OR { 11} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H42A)) ASSI { 14} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H2A )) 3.500 1.500 1.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.82960E-03 ppm1 1.442 ppm2 2.242 CV 1 OR { 14} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H2B )) ASSI { 16} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H42A)) 3.900 1.900 1.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.78461E-03 ppm1 0.805 ppm2 3.180 CV 1 OR { 16} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H42B)) ASSI { 17} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H43B)) 3.400 1.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.75446E-03 ppm1 0.805 ppm2 2.806 CV 1 OR { 17} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H43A)) ASSI { 20} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 40 and name H6% ) 4.300 2.300 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.46025E-03 ppm1 1.996 ppm2 0.630 CV 1 ASSI { 21} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 40 and name H6% ) 4.500 2.500 1.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.58381E-03 ppm1 6.834 ppm2 0.626 CV 1 ASSI { 24} (( segid " " and resid 40 and name H43B)) ( segid " " and resid 40 and name H31%) 4.600 2.600 1.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 2.803 ppm2 0.896 CV 1 OR { 24} (( segid " " and resid 40 and name H43A)) ( segid " " and resid 40 and name H31%) ASSI { 33} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H2B )) 4.300 2.300 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.54128E-03 ppm1 7.184 ppm2 2.249 CV 1 OR { 33} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H2A )) ASSI { 34} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H2B )) 4.900 3.000 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.39465E-03 ppm1 6.986 ppm2 2.238 CV 1 OR { 34} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H2A )) ASSI { 38} (( segid " " and resid 67 and name HA )) (( segid " " and resid 40 and name H42B)) 3.200 3.200 2.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.72641E-03 ppm1 4.475 ppm2 3.181 CV 1 OR { 38} (( segid " " and resid 67 and name HA )) (( segid " " and resid 40 and name H42A)) ASSI { 39} (( segid " " and resid 67 and name HA )) (( segid " " and resid 40 and name H43A)) 3.400 1.400 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.55896E-03 ppm1 4.476 ppm2 2.803 CV 1 OR { 39} (( segid " " and resid 67 and name HA )) (( segid " " and resid 40 and name H43B)) ASSI { 40} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 40 and name H42A)) 4.300 2.300 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.46811E-03 ppm1 2.019 ppm2 3.184 CV 1 OR { 40} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 40 and name H42B)) ASSI { 41} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 40 and name H43B)) 3.800 1.800 1.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.59194E-03 ppm1 2.020 ppm2 2.806 CV 1 OR { 41} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 40 and name H43A)) ASSI { 44} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H38A)) 5.200 3.400 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.39798E-03 ppm1 4.148 ppm2 2.451 CV 1 OR { 44} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H38B)) OR { 44} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H38A)) OR { 44} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H38A)) OR { 44} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H38B)) OR { 44} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H38B)) ASSI { 47} (( segid " " and resid 40 and name H38A)) ( segid " " and resid 40 and name H31%) 4.600 2.700 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.12717E-02 ppm1 2.453 ppm2 0.895 CV 1 OR { 47} (( segid " " and resid 40 and name H38B)) ( segid " " and resid 40 and name H31%) ASSI { 48} (( segid " " and resid 40 and name H32A)) ( segid " " and resid 40 and name H31%) 2.300 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.82206E-02 ppm1 3.998 ppm2 0.896 CV 1 ASSI { 49} (( segid " " and resid 40 and name H32A)) ( segid " " and resid 40 and name H30%) 2.900 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.59646E-02 ppm1 3.997 ppm2 0.865 CV 1 ASSI { 50} (( segid " " and resid 40 and name H28A)) ( segid " " and resid 40 and name H31%) 2.300 0.700 0.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.75615E-02 ppm1 3.732 ppm2 0.896 CV 1 ASSI { 51} (( segid " " and resid 40 and name H28B)) ( segid " " and resid 40 and name H31%) 2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.92699E-02 ppm1 3.427 ppm2 0.896 CV 1 ASSI { 52} (( segid " " and resid 40 and name H28A)) ( segid " " and resid 40 and name H30%) 2.400 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.12381E-01 ppm1 3.733 ppm2 0.865 CV 1 ASSI { 53} (( segid " " and resid 40 and name H28B)) ( segid " " and resid 40 and name H30%) 2.600 0.800 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.11864E-01 ppm1 3.426 ppm2 0.865 CV 1 ASSI { 55} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H31%) 3.900 1.900 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.40328E-02 ppm1 4.137 ppm2 0.897 CV 1 OR { 55} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name H31%) OR { 55} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name H31%) ASSI { 59} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H28A)) 3.500 1.500 1.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.11483E-02 ppm1 4.140 ppm2 3.734 CV 1 OR { 59} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H28A)) OR { 59} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H28A)) ASSI { 60} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H28B)) 3.700 1.700 1.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 4.141 ppm2 3.429 CV 1 OR { 60} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H28B)) OR { 60} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H28B)) ASSI { 63} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H43A)) 4.800 2.900 1.200 peak 63 spectrum 1 weight 0.10000E+01 volume 0.63214E-03 ppm1 7.189 ppm2 2.806 CV 1 OR { 63} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H43B)) ASSI { 64} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H30%) 4.600 2.700 1.400 peak 64 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 4.126 ppm2 0.868 CV 1 OR { 64} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name H30%) ASSI { 65} ( segid " " and resid 40 and name H6% ) (( segid " " and resid 40 and name H3A )) 4.500 2.600 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.84171E-03 ppm1 0.627 ppm2 1.184 CV 1 ASSI { 66} ( segid " " and resid 40 and name H6% ) (( segid " " and resid 40 and name H3B )) 4.300 2.300 1.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.76972E-03 ppm1 0.626 ppm2 1.125 CV 1 ASSI { 73} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 40 and name H6% ) 5.000 3.100 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.31595E-03 ppm1 6.980 ppm2 0.629 CV 1 ASSI { 74} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H4B )) 3.900 1.900 1.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.34166E-03 ppm1 6.980 ppm2 0.847 CV 1 OR { 74} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H4A )) ASSI { 75} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H43B)) 6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23470E-03 ppm1 6.983 ppm2 2.804 CV 1 OR { 75} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H43A)) ASSI { 77} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H5A )) 3.800 1.800 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.30356E-03 ppm1 6.988 ppm2 0.959 CV 1 OR { 77} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H5B ))
Contact the webmaster for help, if required. Thursday, May 23, 2024 6:00:05 PM GMT (wattos1)