NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
476558 | 2kor | 16527 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 14 and name HD1%) 2.900 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.31409E-02 ppm1 1.502 ppm2 0.738 CV 1 OR { 2} ( segid " " and resid 9 and name HB% ) ( segid " " and resid 26 and name HG1%) OR { 2} ( segid " " and resid 9 and name HB% ) ( segid " " and resid 14 and name HD1%) ASSI { 3} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 40 and name H8% ) 2.300 0.600 0.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.83326E-02 ppm1 1.500 ppm2 0.634 CV 1 OR { 3} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 58 and name HD1%) ASSI { 6} (( segid " " and resid 50 and name HA )) (( segid " " and resid 14 and name HG12)) 2.600 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.26737E-02 ppm1 3.956 ppm2 1.073 CV 1 OR { 6} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) OR { 6} (( segid " " and resid 50 and name HA )) ( segid " " and resid 14 and name HG2%) ASSI { 7} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG1 )) 4.000 2.000 2.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.94342E-03 ppm1 3.954 ppm2 0.886 CV 1 OR { 7} (( segid " " and resid 50 and name HA )) ( segid " " and resid 11 and name HD2%) OR { 7} (( segid " " and resid 50 and name HA )) ( segid " " and resid 56 and name HG1%) OR { 7} (( segid " " and resid 50 and name HA )) ( segid " " and resid 47 and name HG1%) ASSI { 8} (( segid " " and resid 50 and name HA )) ( segid " " and resid 14 and name HD1%) 2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.49298E-02 ppm1 3.957 ppm2 0.734 CV 1 OR { 8} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG2 )) ASSI { 9} (( segid " " and resid 50 and name HA )) ( segid " " and resid 46 and name HG1%) 4.100 2.100 1.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.71065E-03 ppm1 3.957 ppm2 0.640 CV 1 OR { 9} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HG2 )) OR { 9} (( segid " " and resid 50 and name HA )) ( segid " " and resid 40 and name H8% ) OR { 9} (( segid " " and resid 50 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 17} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 11 and name HD2%) 2.800 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.47366E-02 ppm1 1.499 ppm2 0.886 CV 1 OR { 17} ( segid " " and resid 9 and name HB% ) ( segid " " and resid 8 and name HG1%) OR { 17} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 47 and name HG1%) OR { 17} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 56 and name HG1%) OR { 17} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HG1 )) ASSI { 18} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 14 and name HG2%) 3.400 1.500 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.12265E-02 ppm1 1.500 ppm2 1.070 CV 1 OR { 18} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 14 and name HG12)) OR { 18} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HB2 )) ASSI { 19} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 7 and name HG2%) 4.100 2.100 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.79103E-03 ppm1 1.499 ppm2 0.523 CV 1 OR { 19} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 76 and name HG2%) OR { 19} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 7 and name HD1%) ASSI { 24} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HE21)) 4.300 2.300 1.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 1.565 ppm2 7.659 CV 1 OR { 24} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HN )) ASSI { 34} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 7 and name HD1%) 2.900 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.47622E-02 ppm1 1.568 ppm2 0.525 CV 1 OR { 34} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 76 and name HG2%) OR { 34} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 7 and name HG2%) ASSI { 39} (( segid " " and resid 3 and name HA )) ( segid " " and resid 7 and name HD1%) 4.500 2.500 1.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.45964E-03 ppm1 4.444 ppm2 0.530 CV 1 OR { 39} (( segid " " and resid 3 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 65} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HB )) 2.600 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.29104E-02 ppm1 3.709 ppm2 1.789 CV 1 OR { 65} (( segid " " and resid 4 and name HA )) (( segid " " and resid 74 and name HD1 )) OR { 65} (( segid " " and resid 4 and name HA )) (( segid " " and resid 28 and name HG )) OR { 65} (( segid " " and resid 4 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 68} (( segid " " and resid 4 and name HA )) ( segid " " and resid 77 and name HD1%) 2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.35944E-02 ppm1 3.706 ppm2 0.821 CV 1 OR { 68} (( segid " " and resid 4 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 68} (( segid " " and resid 4 and name HA )) ( segid " " and resid 28 and name HD1%) ASSI { 71} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 77 and name HD1%) 3.800 1.800 1.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.16643E-02 ppm1 2.180 ppm2 0.822 CV 1 OR { 71} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 28 and name HD1%) OR { 71} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 77 and name HD2%) OR { 71} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 77 and name HD2%) ASSI { 72} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 77 and name HD1%) 3.500 1.500 1.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 2.044 ppm2 0.819 CV 1 OR { 72} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 28 and name HD1%) OR { 72} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 77 and name HD2%) ASSI { 73} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HA )) 3.400 1.400 1.400 peak 73 spectrum 1 weight 0.10000E+01 volume 0.21442E-02 ppm1 2.233 ppm2 3.705 CV 1 OR { 73} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 73 and name HA )) ASSI { 74} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HA )) 2.700 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.16894E-02 ppm1 2.162 ppm2 3.700 CV 1 OR { 74} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 73 and name HA )) ASSI { 75} (( segid " " and resid 4 and name HG1 )) ( segid " " and resid 28 and name HD1%) 3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.12760E-02 ppm1 2.233 ppm2 0.818 CV 1 OR { 75} (( segid " " and resid 4 and name HG1 )) ( segid " " and resid 77 and name HD1%) ASSI { 76} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 28 and name HD1%) 3.500 1.500 1.500 peak 76 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 2.166 ppm2 0.820 CV 1 OR { 76} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 77 and name HD1%) ASSI { 81} (( segid " " and resid 5 and name HA )) (( segid " " and resid 8 and name HN )) 3.300 1.300 1.300 peak 81 spectrum 1 weight 0.10000E+01 volume 0.15834E-02 ppm1 3.935 ppm2 8.386 CV 1 OR { 81} (( segid " " and resid 5 and name HA )) (( segid " " and resid 7 and name HN )) OR { 81} (( segid " " and resid 5 and name HA )) (( segid " " and resid 10 and name HN )) ASSI { 89} (( segid " " and resid 5 and name HA )) ( segid " " and resid 8 and name HG1%) 3.900 1.900 1.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 3.936 ppm2 0.909 CV 1 OR { 89} (( segid " " and resid 5 and name HA )) ( segid " " and resid 28 and name HD2%) ASSI { 106} (( segid " " and resid 6 and name HB1 )) ( segid " " and resid 2 and name HB% ) 3.200 1.200 1.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.20391E-02 ppm1 2.496 ppm2 1.561 CV 1 OR { 106} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 7 and name HG11)) OR { 106} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 58 and name HG11)) ASSI { 107} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 2 and name HB% ) 2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.20311E-02 ppm1 2.116 ppm2 1.561 CV 1 OR { 107} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HG11)) OR { 107} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 49 and name HB% ) ASSI { 108} (( segid " " and resid 6 and name HA )) ( segid " " and resid 9 and name HB% ) 3.000 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.47591E-02 ppm1 4.139 ppm2 1.522 CV 1 OR { 108} (( segid " " and resid 6 and name HA )) ( segid " " and resid 2 and name HB% ) OR { 108} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HG11)) ASSI { 127} (( segid " " and resid 7 and name HB )) (( segid " " and resid 4 and name HA )) 2.600 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.32617E-02 ppm1 1.790 ppm2 3.692 CV 1 OR { 127} (( segid " " and resid 7 and name HB )) (( segid " " and resid 73 and name HA )) OR { 127} (( segid " " and resid 76 and name HB )) (( segid " " and resid 73 and name HA )) ASSI { 128} (( segid " " and resid 7 and name HB )) ( segid " " and resid 73 and name HG2%) 2.700 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.30579E-02 ppm1 1.791 ppm2 1.108 CV 1 OR { 128} (( segid " " and resid 76 and name HB )) ( segid " " and resid 73 and name HG2%) ASSI { 139} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 77 and name HN )) 3.200 1.300 1.300 peak 139 spectrum 1 weight 0.10000E+01 volume 0.18694E-02 ppm1 0.529 ppm2 8.501 CV 1 OR { 139} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 76 and name HN )) ASSI { 141} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HE22)) 3.500 1.600 1.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.10403E-02 ppm1 0.530 ppm2 7.702 CV 1 OR { 141} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HN )) OR { 141} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 142} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HE21)) 3.700 1.700 1.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 0.527 ppm2 7.654 CV 1 OR { 142} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HN )) ASSI { 144} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 76 and name HN )) 4.200 2.200 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.96443E-03 ppm1 0.559 ppm2 8.523 CV 1 OR { 144} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 77 and name HN )) OR { 144} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 3 and name HN )) ASSI { 153} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 11 and name HD1%) 2.900 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.39628E-02 ppm1 0.562 ppm2 0.841 CV 1 OR { 153} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 11 and name HD2%) OR { 153} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 77 and name HD2%) OR { 153} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 77 and name HD1%) ASSI { 154} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 77 and name HD2%) 6.000 6.000 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.96034E-07 ppm1 0.526 ppm2 0.810 CV 1 OR { 154} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 28 and name HD1%) OR { 154} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 77 and name HD1%) ASSI { 160} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HG )) 3.200 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.21146E-02 ppm1 0.563 ppm2 1.993 CV 1 OR { 160} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 76 and name HG11)) OR { 160} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HB )) OR { 160} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 4 and name HB2 )) ASSI { 163} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HB1 )) 4.100 2.100 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.60976E-03 ppm1 0.524 ppm2 2.147 CV 1 OR { 163} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HG2 )) OR { 163} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HB2 )) OR { 163} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 11 and name HB1 )) ASSI { 164} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 73 and name HA )) 2.300 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.60882E-02 ppm1 0.562 ppm2 3.677 CV 1 OR { 164} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 4 and name HA )) ASSI { 166} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 73 and name HB )) 4.700 2.700 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.49913E-03 ppm1 0.559 ppm2 4.173 CV 1 OR { 166} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HA )) ASSI { 180} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 5 and name HA )) 3.900 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 0.906 ppm2 3.927 CV 1 OR { 180} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 7 and name HA )) ASSI { 183} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 60 and name HA )) 4.500 2.600 1.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.57555E-03 ppm1 1.045 ppm2 4.193 CV 1 OR { 183} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 73 and name HB )) OR { 183} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HA )) ASSI { 184} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 60 and name HA )) 4.700 2.700 1.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.42381E-03 ppm1 1.041 ppm2 4.164 CV 1 OR { 184} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 73 and name HB )) OR { 184} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 6 and name HA )) ASSI { 185} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 5 and name HA )) 3.500 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.16663E-02 ppm1 1.045 ppm2 3.934 CV 1 OR { 185} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HA )) OR { 185} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 48 and name HA )) OR { 185} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 50 and name HA )) ASSI { 193} (( segid " " and resid 8 and name HA )) ( segid " " and resid 9 and name HB% ) 4.800 2.900 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.52891E-03 ppm1 3.384 ppm2 1.527 CV 1 OR { 193} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HG11)) OR { 193} (( segid " " and resid 8 and name HA )) (( segid " " and resid 27 and name HB2 )) ASSI { 197} (( segid " " and resid 8 and name HA )) ( segid " " and resid 26 and name HG1%) 3.800 1.800 1.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.70668E-03 ppm1 3.395 ppm2 0.780 CV 1 OR { 197} (( segid " " and resid 8 and name HA )) ( segid " " and resid 28 and name HD1%) ASSI { 201} (( segid " " and resid 23 and name HB )) ( segid " " and resid 23 and name HG2%) 2.200 0.600 0.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.74255E-02 ppm1 2.028 ppm2 1.033 CV 1 OR { 201} (( segid " " and resid 48 and name HB )) ( segid " " and resid 48 and name HG1%) OR { 201} (( segid " " and resid 8 and name HB )) ( segid " " and resid 8 and name HG2%) ASSI { 204} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 7 and name HG2%) 3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 1.041 ppm2 0.575 CV 1 OR { 204} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 7 and name HD1%) OR { 204} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 66 and name HD2%) ASSI { 236} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 14 and name HD1%) 4.300 2.300 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.38813E-03 ppm1 4.060 ppm2 0.738 CV 1 OR { 236} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 26 and name HG1%) ASSI { 249} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG12)) 3.600 1.700 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.14747E-02 ppm1 4.256 ppm2 1.067 CV 1 OR { 249} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HG2%) OR { 249} (( segid " " and resid 11 and name HA )) (( segid " " and resid 53 and name HB2 )) OR { 249} (( segid " " and resid 11 and name HA )) ( segid " " and resid 8 and name HG2%) ASSI { 251} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD1%) 2.800 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.37671E-02 ppm1 4.257 ppm2 0.733 CV 1 OR { 251} (( segid " " and resid 11 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 262} (( segid " " and resid 11 and name HG )) (( segid " " and resid 40 and name H5A )) 4.300 2.300 1.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.68664E-03 ppm1 1.993 ppm2 1.064 CV 1 OR { 262} (( segid " " and resid 11 and name HG )) ( segid " " and resid 14 and name HG2%) OR { 262} (( segid " " and resid 11 and name HG )) ( segid " " and resid 8 and name HG2%) OR { 262} (( segid " " and resid 11 and name HG )) (( segid " " and resid 14 and name HG12)) OR { 262} (( segid " " and resid 11 and name HG )) (( segid " " and resid 53 and name HB2 )) ASSI { 266} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 54 and name HD% ) 3.400 1.400 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.75394E-03 ppm1 0.857 ppm2 7.462 CV 1 OR { 266} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HZ )) OR { 266} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 54 and name HZ )) OR { 266} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 54 and name HD% ) OR { 266} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 26 and name HN )) ASSI { 267} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 54 and name HE% ) 3.600 1.600 1.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.70918E-03 ppm1 0.860 ppm2 7.111 CV 1 OR { 267} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 54 and name HE% ) ASSI { 276} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 73 and name HA )) 3.400 3.400 2.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.21216E-02 ppm1 0.859 ppm2 3.674 CV 1 OR { 276} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 4 and name HA )) OR { 276} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 44 and name HA )) OR { 276} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 73 and name HA )) ASSI { 300} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 26 and name HB )) 2.200 0.600 0.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.54608E-02 ppm1 1.687 ppm2 2.340 CV 1 OR { 300} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HG2 )) ASSI { 301} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 23 and name HB )) 3.000 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.27750E-02 ppm1 1.687 ppm2 2.039 CV 1 OR { 301} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 24 and name HB1 )) ASSI { 303} (( segid " " and resid 12 and name HA )) (( segid " " and resid 26 and name HB )) 3.100 1.200 1.200 peak 303 spectrum 1 weight 0.10000E+01 volume 0.19982E-02 ppm1 4.057 ppm2 2.338 CV 1 OR { 303} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HG2 )) OR { 303} (( segid " " and resid 12 and name HA )) (( segid " " and resid 13 and name HB1 )) ASSI { 306} (( segid " " and resid 12 and name HA )) ( segid " " and resid 26 and name HG2%) 2.200 0.600 0.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.52048E-02 ppm1 4.056 ppm2 0.923 CV 1 OR { 306} (( segid " " and resid 12 and name HA )) ( segid " " and resid 23 and name HG1%) ASSI { 307} (( segid " " and resid 12 and name HA )) ( segid " " and resid 26 and name HG1%) 2.900 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.56774E-02 ppm1 4.056 ppm2 0.739 CV 1 OR { 307} (( segid " " and resid 12 and name HA )) ( segid " " and resid 14 and name HD1%) OR { 307} (( segid " " and resid 12 and name HA )) ( segid " " and resid 36 and name HD2%) ASSI { 308} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 26 and name HG2%) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.60654E-02 ppm1 1.686 ppm2 0.953 CV 1 OR { 308} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 23 and name HG1%) ASSI { 311} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG1%) 4.000 2.000 2.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.11294E-02 ppm1 4.055 ppm2 1.005 CV 1 OR { 311} (( segid " " and resid 12 and name HA )) ( segid " " and resid 23 and name HG1%) OR { 311} (( segid " " and resid 12 and name HA )) ( segid " " and resid 21 and name HG2%) ASSI { 317} (( segid " " and resid 13 and name HA )) ( segid " " and resid 23 and name HG1%) 2.800 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.31067E-02 ppm1 3.946 ppm2 0.980 CV 1 OR { 317} (( segid " " and resid 13 and name HA )) ( segid " " and resid 23 and name HG2%) OR { 317} (( segid " " and resid 17 and name HA )) ( segid " " and resid 18 and name HG2%) OR { 317} (( segid " " and resid 13 and name HA )) ( segid " " and resid 15 and name HG1%) OR { 317} (( segid " " and resid 17 and name HA )) ( segid " " and resid 46 and name HG2%) ASSI { 318} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) 3.000 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.16763E-02 ppm1 3.944 ppm2 3.106 CV 1 OR { 318} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HB1 )) ASSI { 319} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.900 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.32227E-02 ppm1 3.946 ppm2 2.749 CV 1 OR { 319} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HB2 )) ASSI { 323} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) 3.400 1.400 1.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.13398E-02 ppm1 3.946 ppm2 8.689 CV 1 OR { 323} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HN )) ASSI { 324} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) 3.400 1.400 1.400 peak 324 spectrum 1 weight 0.10000E+01 volume 0.11112E-02 ppm1 3.941 ppm2 8.194 CV 1 OR { 324} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) ASSI { 327} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 23 and name HG1%) 4.400 2.400 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.55697E-03 ppm1 2.616 ppm2 0.987 CV 1 OR { 327} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 23 and name HG2%) OR { 327} (( segid " " and resid 13 and name HG1 )) ( segid " " and resid 15 and name HG1%) ASSI { 349} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HG2 )) 2.400 0.700 0.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.24772E-02 ppm1 3.821 ppm2 2.258 CV 1 OR { 349} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB1 )) OR { 349} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 349} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB1 )) ASSI { 352} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HG11)) 4.300 2.300 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.51209E-03 ppm1 3.827 ppm2 1.651 CV 1 OR { 352} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HB )) OR { 352} (( segid " " and resid 14 and name HA )) (( segid " " and resid 53 and name HB1 )) OR { 352} (( segid " " and resid 14 and name HA )) ( segid " " and resid 12 and name HB% ) ASSI { 353} (( segid " " and resid 14 and name HA )) ( segid " " and resid 49 and name HB% ) 4.300 2.300 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.92485E-03 ppm1 3.820 ppm2 1.522 CV 1 OR { 353} (( segid " " and resid 14 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 358} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 17 and name HG2 )) 4.600 2.600 1.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.45168E-03 ppm1 1.066 ppm2 2.292 CV 1 OR { 358} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 46 and name HB )) OR { 358} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HB )) OR { 358} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 45 and name HB1 )) OR { 358} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 17 and name HB1 )) OR { 358} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 13 and name HB1 )) ASSI { 362} (( segid " " and resid 14 and name HG11)) ( segid " " and resid 49 and name HB% ) 3.300 1.400 1.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.12999E-02 ppm1 1.991 ppm2 1.526 CV 1 OR { 362} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 9 and name HB% ) OR { 362} (( segid " " and resid 14 and name HG11)) ( segid " " and resid 50 and name HB% ) ASSI { 363} (( segid " " and resid 14 and name HG12)) ( segid " " and resid 49 and name HB% ) 2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.17085E-02 ppm1 1.056 ppm2 1.529 CV 1 OR { 363} (( segid " " and resid 14 and name HG12)) ( segid " " and resid 50 and name HB% ) ASSI { 378} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 32 and name HD% ) 3.200 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.12260E-02 ppm1 1.177 ppm2 7.180 CV 1 OR { 378} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 54 and name HE% ) ASSI { 382} ( segid " " and resid 46 and name HG2%) ( segid " " and resid 32 and name HD% ) 3.500 1.500 1.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.73053E-03 ppm1 1.007 ppm2 7.172 CV 1 OR { 382} ( segid " " and resid 15 and name HG1%) ( segid " " and resid 32 and name HD% ) OR { 382} ( segid " " and resid 46 and name HG2%) ( segid " " and resid 54 and name HE% ) ASSI { 383} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.11211E-02 ppm1 0.995 ppm2 6.991 CV 1 OR { 383} ( segid " " and resid 15 and name HG1%) ( segid " " and resid 32 and name HE% ) ASSI { 389} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HN )) 4.100 2.100 1.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.56390E-03 ppm1 0.997 ppm2 8.469 CV 1 OR { 389} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 19 and name HN )) ASSI { 399} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HB )) 2.000 0.500 0.500 peak 399 spectrum 1 weight 0.10000E+01 volume 0.82383E-02 ppm1 1.001 ppm2 1.588 CV 1 OR { 399} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 18 and name HB )) OR { 399} ( segid " " and resid 15 and name HG1%) ( segid " " and resid 19 and name HB% ) ASSI { 400} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HB )) 2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.24930E-02 ppm1 3.602 ppm2 1.627 CV 1 OR { 400} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HG11)) OR { 400} (( segid " " and resid 15 and name HA )) (( segid " " and resid 21 and name HB )) ASSI { 401} (( segid " " and resid 15 and name HA )) ( segid " " and resid 19 and name HB% ) 3.500 1.500 1.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14750E-02 ppm1 3.598 ppm2 1.550 CV 1 OR { 401} (( segid " " and resid 15 and name HA )) ( segid " " and resid 49 and name HB% ) ASSI { 405} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG2%) 2.300 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.72451E-02 ppm1 2.249 ppm2 1.163 CV 1 OR { 405} (( segid " " and resid 44 and name HB )) ( segid " " and resid 44 and name HG2%) OR { 405} (( segid " " and resid 47 and name HB )) ( segid " " and resid 48 and name HG2%) ASSI { 406} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 46 and name HG1%) 2.400 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.43814E-02 ppm1 1.178 ppm2 0.666 CV 1 OR { 406} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 36 and name HD1%) ASSI { 407} ( segid " " and resid 46 and name HG2%) ( segid " " and resid 46 and name HG1%) 2.100 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11443E-01 ppm1 0.985 ppm2 0.674 CV 1 OR { 407} ( segid " " and resid 15 and name HG1%) ( segid " " and resid 46 and name HG1%) ASSI { 417} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 53 and name HD2 )) 3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.12722E-02 ppm1 0.738 ppm2 2.707 CV 1 OR { 417} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 16 and name HB2 )) ASSI { 420} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 53 and name HB1 )) 3.400 1.500 1.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.18790E-02 ppm1 0.741 ppm2 1.621 CV 1 OR { 420} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 18 and name HG11)) ASSI { 421} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 49 and name HB% ) 2.900 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.77470E-02 ppm1 0.738 ppm2 1.514 CV 1 OR { 421} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 50 and name HB% ) ASSI { 425} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HN )) 3.100 1.200 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.20139E-02 ppm1 3.110 ppm2 8.400 CV 1 OR { 425} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 17 and name HN )) ASSI { 455} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) 2.900 1.100 1.100 peak 455 spectrum 1 weight 0.10000E+01 volume 0.24305E-02 ppm1 2.135 ppm2 8.216 CV 1 OR { 455} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HN )) ASSI { 466} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 3.700 1.700 1.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.87524E-03 ppm1 3.935 ppm2 8.466 CV 1 OR { 466} (( segid " " and resid 38 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 478} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 42 and name HA )) 3.700 1.800 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 0.952 ppm2 4.271 CV 1 OR { 478} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 49 and name HA )) OR { 478} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 21 and name HA )) ASSI { 479} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 49 and name HA )) 4.400 2.400 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.82955E-03 ppm1 0.779 ppm2 4.246 CV 1 OR { 479} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 42 and name HA )) ASSI { 484} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 17 and name HG1 )) 4.100 2.100 1.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.66233E-03 ppm1 0.780 ppm2 2.445 CV 1 OR { 484} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HG1 )) ASSI { 488} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 49 and name HB% ) 2.700 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.51717E-02 ppm1 0.781 ppm2 1.524 CV 1 OR { 488} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 19 and name HB% ) ASSI { 494} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 49 and name HN )) 4.400 2.400 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.35423E-03 ppm1 0.783 ppm2 7.916 CV 1 OR { 494} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 47 and name HN )) ASSI { 501} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.14293E-02 ppm1 1.541 ppm2 3.953 CV 1 OR { 501} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HA2 )) OR { 501} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 43 and name HA )) ASSI { 520} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HD2 )) 2.300 0.700 0.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.54021E-02 ppm1 4.317 ppm2 3.701 CV 1 OR { 520} (( segid " " and resid 41 and name HA )) (( segid " " and resid 40 and name H28A)) ASSI { 521} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HD1 )) 2.000 0.500 0.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.91785E-02 ppm1 4.318 ppm2 4.042 CV 1 OR { 521} (( segid " " and resid 41 and name HA )) (( segid " " and resid 40 and name H32A)) ASSI { 547} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HD1 )) 3.200 1.300 1.300 peak 547 spectrum 1 weight 0.10000E+01 volume 0.13040E-02 ppm1 4.311 ppm2 4.038 CV 1 OR { 547} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HA )) ASSI { 616} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 3.000 1.100 1.100 peak 616 spectrum 1 weight 0.10000E+01 volume 0.14309E-02 ppm1 4.040 ppm2 7.737 CV 1 OR { 616} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) OR { 616} (( segid " " and resid 64 and name HA )) (( segid " " and resid 66 and name HN )) ASSI { 618} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 52 and name HN )) 4.100 2.100 1.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.98032E-03 ppm1 2.288 ppm2 7.733 CV 1 OR { 618} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 25 and name HN )) OR { 618} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 25 and name HN )) ASSI { 622} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 26 and name HN )) 3.700 1.700 1.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.83510E-03 ppm1 2.679 ppm2 7.500 CV 1 OR { 622} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) ASSI { 628} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 36 and name HD2%) 3.600 1.700 1.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.50413E-03 ppm1 2.685 ppm2 0.765 CV 1 OR { 628} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 26 and name HG1%) ASSI { 640} (( segid " " and resid 26 and name HA )) ( segid " " and resid 36 and name HD1%) 3.100 1.200 1.200 peak 640 spectrum 1 weight 0.10000E+01 volume 0.14547E-02 ppm1 3.542 ppm2 0.621 CV 1 OR { 640} (( segid " " and resid 26 and name HA )) ( segid " " and resid 69 and name HG2%) ASSI { 643} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB1 )) 4.100 2.100 1.900 peak 643 spectrum 1 weight 0.10000E+01 volume 0.66298E-03 ppm1 3.539 ppm2 2.057 CV 1 OR { 643} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HB1 )) ASSI { 644} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HG1 )) 3.500 1.500 1.500 peak 644 spectrum 1 weight 0.10000E+01 volume 0.71592E-03 ppm1 3.540 ppm2 1.798 CV 1 OR { 644} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HD2 )) ASSI { 646} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HB2 )) 4.700 2.800 1.300 peak 646 spectrum 1 weight 0.10000E+01 volume 0.59746E-03 ppm1 3.540 ppm2 1.551 CV 1 OR { 646} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HD1 )) OR { 646} (( segid " " and resid 26 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 647} (( segid " " and resid 26 and name HA )) (( segid " " and resid 36 and name HG )) 4.500 2.600 1.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.70081E-03 ppm1 3.542 ppm2 1.516 CV 1 OR { 647} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HB2 )) OR { 647} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HD2 )) OR { 647} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HD1 )) ASSI { 648} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.400 1.400 1.400 peak 648 spectrum 1 weight 0.10000E+01 volume 0.12367E-02 ppm1 3.542 ppm2 1.342 CV 1 OR { 648} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HG2 )) OR { 648} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HG2 )) OR { 648} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HG1 )) ASSI { 654} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 30 and name HB1 )) 4.300 2.300 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.62711E-03 ppm1 0.745 ppm2 2.047 CV 1 OR { 654} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 8 and name HB )) OR { 654} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 27 and name HB1 )) ASSI { 657} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 12 and name HA )) 2.900 1.000 1.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.65181E-02 ppm1 0.743 ppm2 4.055 CV 1 OR { 657} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 32 and name HA )) ASSI { 659} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 8 and name HA )) 3.800 1.900 1.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.73425E-03 ppm1 0.744 ppm2 3.389 CV 1 OR { 659} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 69 and name HA )) ASSI { 704} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 4 and name HA )) 4.000 2.000 2.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.19692E-02 ppm1 0.812 ppm2 3.683 CV 1 OR { 704} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 73 and name HA )) ASSI { 706} (( segid " " and resid 28 and name HA )) (( segid " " and resid 69 and name HB )) 3.100 1.200 1.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.53200E-02 ppm1 3.582 ppm2 2.281 CV 1 OR { 706} (( segid " " and resid 28 and name HA )) (( segid " " and resid 4 and name HG1 )) ASSI { 714} (( segid " " and resid 28 and name HA )) ( segid " " and resid 8 and name HG2%) 4.300 2.300 1.700 peak 714 spectrum 1 weight 0.10000E+01 volume 0.50138E-03 ppm1 3.581 ppm2 1.046 CV 1 OR { 714} (( segid " " and resid 28 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 720} ( segid " " and resid 28 and name HD1%) ( segid " " and resid 8 and name HG2%) 2.800 1.000 1.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.44894E-02 ppm1 0.811 ppm2 1.072 CV 1 OR { 720} ( segid " " and resid 28 and name HD1%) ( segid " " and resid 73 and name HG2%) ASSI { 729} (( segid " " and resid 29 and name HA )) ( segid " " and resid 68 and name HG2%) 3.600 1.600 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.90162E-03 ppm1 4.486 ppm2 1.054 CV 1 OR { 729} (( segid " " and resid 29 and name HA )) ( segid " " and resid 8 and name HG2%) ASSI { 753} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 26 and name HA )) 4.500 2.500 1.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.61382E-03 ppm1 1.347 ppm2 3.537 CV 1 OR { 753} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 26 and name HA )) OR { 753} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 26 and name HA )) ASSI { 766} (( segid " " and resid 66 and name HG )) (( segid " " and resid 65 and name HB2 )) 4.000 2.000 2.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.46942E-03 ppm1 1.804 ppm2 2.701 CV 1 OR { 766} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 35 and name HB2 )) ASSI { 767} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 35 and name HB2 )) 4.000 2.000 2.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.10442E-02 ppm1 1.557 ppm2 2.721 CV 1 OR { 767} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 54 and name HB2 )) ASSI { 770} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 36 and name HD1%) 3.800 1.800 1.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.70013E-03 ppm1 2.059 ppm2 0.626 CV 1 OR { 770} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 69 and name HG2%) ASSI { 772} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 36 and name HD1%) 3.500 1.500 1.500 peak 772 spectrum 1 weight 0.10000E+01 volume 0.50285E-03 ppm1 1.366 ppm2 0.625 CV 1 OR { 772} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 69 and name HG2%) ASSI { 796} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 68 and name HA )) 4.400 2.400 1.600 peak 796 spectrum 1 weight 0.10000E+01 volume 0.68330E-03 ppm1 4.086 ppm2 5.226 CV 1 OR { 796} (( segid " " and resid 32 and name HA )) (( segid " " and resid 68 and name HA )) ASSI { 799} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.400 1.500 1.500 peak 799 spectrum 1 weight 0.10000E+01 volume 0.84837E-03 ppm1 4.096 ppm2 7.675 CV 1 OR { 799} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 806} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 68 and name HG2%) 3.400 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.17246E-02 ppm1 4.088 ppm2 1.047 CV 1 OR { 806} (( segid " " and resid 32 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 814} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HN )) 3.700 1.700 1.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.86114E-03 ppm1 4.076 ppm2 7.496 CV 1 OR { 814} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 36 and name HN )) ASSI { 822} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 38 and name HG1%) 3.000 1.100 1.100 peak 822 spectrum 1 weight 0.10000E+01 volume 0.18264E-02 ppm1 7.178 ppm2 0.940 CV 1 OR { 822} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 66 and name HB2 )) OR { 822} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 38 and name HG2%) OR { 822} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 26 and name HG2%) OR { 822} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H7A )) OR { 822} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H7B )) ASSI { 823} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 36 and name HD1%) 3.100 1.200 1.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 7.177 ppm2 0.621 CV 1 OR { 823} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 69 and name HG2%) ASSI { 825} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 72 and name HA )) 2.400 0.700 0.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.25261E-02 ppm1 3.162 ppm2 4.082 CV 1 OR { 825} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) OR { 825} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) ASSI { 826} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 38 and name HB )) 3.600 1.600 1.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.83529E-03 ppm1 3.156 ppm2 1.901 CV 1 OR { 826} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 74 and name HB2 )) OR { 826} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 74 and name HB2 )) ASSI { 827} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 43 and name HE% ) 4.800 2.900 1.200 peak 827 spectrum 1 weight 0.10000E+01 volume 0.37702E-03 ppm1 3.176 ppm2 1.436 CV 1 OR { 827} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 36 and name HG )) ASSI { 830} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 38 and name HG1%) 3.300 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.10835E-02 ppm1 3.176 ppm2 0.933 CV 1 OR { 830} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 38 and name HG2%) OR { 830} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 66 and name HB2 )) OR { 830} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 11 and name HD2%) OR { 830} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 40 and name H7A )) OR { 830} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 26 and name HG2%) ASSI { 832} (( segid " " and resid 32 and name HA )) ( segid " " and resid 69 and name HG1%) 4.700 2.800 1.300 peak 832 spectrum 1 weight 0.10000E+01 volume 0.29762E-03 ppm1 4.076 ppm2 0.444 CV 1 OR { 832} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 69 and name HG1%) ASSI { 833} (( segid " " and resid 32 and name HA )) ( segid " " and resid 38 and name HG1%) 3.400 1.400 1.400 peak 833 spectrum 1 weight 0.10000E+01 volume 0.17391E-02 ppm1 4.077 ppm2 0.939 CV 1 OR { 833} (( segid " " and resid 32 and name HA )) ( segid " " and resid 26 and name HG2%) OR { 833} (( segid " " and resid 32 and name HA )) ( segid " " and resid 38 and name HG2%) OR { 833} (( segid " " and resid 32 and name HA )) ( segid " " and resid 11 and name HD2%) OR { 833} (( segid " " and resid 32 and name HA )) ( segid " " and resid 46 and name HG2%) OR { 833} (( segid " " and resid 32 and name HA )) (( segid " " and resid 66 and name HB2 )) ASSI { 844} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.52557E-03 ppm1 1.289 ppm2 8.045 CV 1 OR { 844} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H36A)) ASSI { 871} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 36 and name HD1%) 4.800 2.900 1.200 peak 871 spectrum 1 weight 0.10000E+01 volume 0.34003E-03 ppm1 2.721 ppm2 0.621 CV 1 OR { 871} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 69 and name HG2%) ASSI { 872} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 36 and name HD1%) 5.700 4.000 0.300 peak 872 spectrum 1 weight 0.10000E+01 volume 0.23597E-03 ppm1 3.043 ppm2 0.625 CV 1 OR { 872} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 69 and name HG2%) ASSI { 875} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HD1 )) 4.000 2.000 2.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.11571E-02 ppm1 2.720 ppm2 1.571 CV 1 OR { 875} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HB2 )) ASSI { 882} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HA )) 3.900 1.900 1.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.80389E-03 ppm1 3.036 ppm2 4.404 CV 1 OR { 882} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 883} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HA )) 3.400 1.500 1.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.96280E-03 ppm1 2.722 ppm2 4.399 CV 1 OR { 883} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 892} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 32 and name HN )) 4.700 2.700 1.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.26849E-03 ppm1 0.620 ppm2 8.143 CV 1 OR { 892} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 69 and name HN )) ASSI { 903} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 32 and name HA )) 2.600 0.900 0.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.13608E-02 ppm1 1.593 ppm2 4.076 CV 1 OR { 903} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 40 and name H32A)) ASSI { 909} (( segid " " and resid 36 and name HA )) ( segid " " and resid 21 and name HG2%) 3.600 1.600 1.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.44788E-03 ppm1 4.364 ppm2 1.003 CV 1 OR { 909} (( segid " " and resid 36 and name HA )) ( segid " " and resid 15 and name HG1%) ASSI { 910} (( segid " " and resid 36 and name HA )) ( segid " " and resid 21 and name HG2%) 3.600 1.600 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.65458E-03 ppm1 4.354 ppm2 0.956 CV 1 OR { 910} (( segid " " and resid 36 and name HA )) ( segid " " and resid 26 and name HG2%) OR { 910} (( segid " " and resid 36 and name HA )) ( segid " " and resid 15 and name HG1%) OR { 910} (( segid " " and resid 36 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 924} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 26 and name HG2%) 2.500 0.800 0.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.34502E-02 ppm1 0.621 ppm2 0.922 CV 1 OR { 924} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 38 and name HG2%) ASSI { 941} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 15 and name HG1%) 2.800 1.000 1.000 peak 941 spectrum 1 weight 0.10000E+01 volume 0.31690E-02 ppm1 0.616 ppm2 0.992 CV 1 OR { 941} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 21 and name HG2%) ASSI { 944} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 32 and name HA )) 2.700 2.700 3.300 peak 944 spectrum 1 weight 0.10000E+01 volume 0.79087E-03 ppm1 0.778 ppm2 4.069 CV 1 OR { 944} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 12 and name HA )) OR { 944} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 31 and name HB1 )) ASSI { 963} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) 3.100 1.200 1.200 peak 963 spectrum 1 weight 0.10000E+01 volume 0.42056E-02 ppm1 0.931 ppm2 8.295 CV 1 OR { 963} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 39 and name HN )) OR { 963} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 43 and name HN )) ASSI { 970} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 36 and name HA )) 2.700 2.700 3.300 peak 970 spectrum 1 weight 0.10000E+01 volume 0.81528E-03 ppm1 0.940 ppm2 4.364 CV 1 OR { 970} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 36 and name HA )) OR { 970} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 21 and name HA )) OR { 970} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 21 and name HA )) ASSI { 972} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 32 and name HA )) 3.200 1.300 1.300 peak 972 spectrum 1 weight 0.10000E+01 volume 0.21799E-02 ppm1 0.939 ppm2 4.094 CV 1 OR { 972} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HA )) OR { 972} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 40 and name HA )) OR { 972} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 32 and name HA )) OR { 972} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB1 )) OR { 972} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 45 and name HA )) ASSI { 979} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 36 and name HB1 )) 2.800 1.000 1.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 0.940 ppm2 2.319 CV 1 OR { 979} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 46 and name HB )) OR { 979} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 46 and name HB )) OR { 979} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 36 and name HB1 )) OR { 979} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 45 and name HB1 )) ASSI { 1012} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name H30%) 4.000 2.000 2.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.82720E-03 ppm1 4.108 ppm2 0.881 CV 1 OR { 1012} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name H31%) OR { 1012} (( segid " " and resid 40 and name HA )) ( segid " " and resid 41 and name HD1%) ASSI { 1027} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HB2 )) 4.100 2.100 1.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.73871E-03 ppm1 4.289 ppm2 2.256 CV 1 OR { 1027} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HB )) OR { 1027} (( segid " " and resid 41 and name HA )) (( segid " " and resid 44 and name HB )) OR { 1027} (( segid " " and resid 41 and name HA )) (( segid " " and resid 43 and name HG2 )) OR { 1027} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HG2 )) OR { 1027} (( segid " " and resid 41 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 1027} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HB1 )) OR { 1027} (( segid " " and resid 21 and name HA )) (( segid " " and resid 15 and name HB )) OR { 1027} (( segid " " and resid 11 and name HA )) (( segid " " and resid 46 and name HB )) OR { 1027} (( segid " " and resid 11 and name HA )) (( segid " " and resid 69 and name HB )) OR { 1027} (( segid " " and resid 11 and name HA )) (( segid " " and resid 17 and name HG2 )) ASSI { 1034} (( segid " " and resid 11 and name HA )) ( segid " " and resid 15 and name HG2%) 3.100 1.200 1.200 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.21901E-02 ppm1 4.280 ppm2 1.128 CV 1 OR { 1034} (( segid " " and resid 41 and name HA )) ( segid " " and resid 44 and name HG2%) OR { 1034} (( segid " " and resid 21 and name HA )) ( segid " " and resid 15 and name HG2%) ASSI { 1045} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) 2.200 0.600 0.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.10680E-01 ppm1 3.972 ppm2 0.938 CV 1 OR { 1045} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG1%) OR { 1045} (( segid " " and resid 38 and name HA )) ( segid " " and resid 46 and name HG2%) OR { 1045} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 41 and name HD1%) ASSI { 1046} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 18 and name HG2%) 2.800 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.37468E-02 ppm1 3.624 ppm2 0.945 CV 1 OR { 1046} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 41 and name HD1%) OR { 1046} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 38 and name HG1%) ASSI { 1051} (( segid " " and resid 42 and name HA )) (( segid " " and resid 44 and name HB )) 4.600 2.700 1.400 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.23877E-03 ppm1 4.271 ppm2 2.196 CV 1 OR { 1051} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB2 )) OR { 1051} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HG1 )) ASSI { 1071} (( segid " " and resid 44 and name HB )) (( segid " " and resid 42 and name HA )) 3.700 1.700 1.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.82745E-03 ppm1 2.237 ppm2 4.276 CV 1 OR { 1071} (( segid " " and resid 15 and name HB )) (( segid " " and resid 11 and name HA )) OR { 1071} (( segid " " and resid 44 and name HB )) (( segid " " and resid 41 and name HA )) OR { 1071} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 41 and name HA )) OR { 1071} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 41 and name HA )) OR { 1071} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 42 and name HA )) OR { 1071} (( segid " " and resid 15 and name HB )) (( segid " " and resid 21 and name HA )) OR { 1071} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 42 and name HA )) ASSI { 1073} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB )) 2.700 0.900 0.900 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.47382E-02 ppm1 3.934 ppm2 2.300 CV 1 OR { 1073} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HB1 )) OR { 1073} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HG2 )) ASSI { 1087} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HA )) 3.800 1.800 1.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.82549E-03 ppm1 2.255 ppm2 3.932 CV 1 OR { 1087} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HA )) OR { 1087} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HA )) OR { 1087} (( segid " " and resid 15 and name HB )) (( segid " " and resid 13 and name HA )) OR { 1087} (( segid " " and resid 44 and name HB )) (( segid " " and resid 43 and name HA )) ASSI { 1091} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 43 and name HN )) 3.900 1.900 1.900 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.83098E-03 ppm1 1.130 ppm2 8.274 CV 1 OR { 1091} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H41A)) ASSI { 1096} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H36A)) 3.400 1.500 1.500 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.62452E-03 ppm1 1.128 ppm2 8.065 CV 1 OR { 1096} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 46 and name HN )) ASSI { 1108} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 47 and name HG1%) 2.900 1.000 1.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.67409E-02 ppm1 1.131 ppm2 0.868 CV 1 OR { 1108} ( segid " " and resid 44 and name HG2%) ( segid " " and resid 63 and name HG2%) OR { 1108} ( segid " " and resid 44 and name HG2%) ( segid " " and resid 47 and name HG1%) ASSI { 1116} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.71049E-03 ppm1 4.076 ppm2 8.115 CV 1 OR { 1116} (( segid " " and resid 52 and name HA )) (( segid " " and resid 54 and name HN )) ASSI { 1120} (( segid " " and resid 45 and name HA )) ( segid " " and resid 18 and name HD1%) 4.800 2.900 1.200 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.49120E-03 ppm1 4.070 ppm2 0.792 CV 1 OR { 1120} (( segid " " and resid 24 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 1126} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 18 and name HD1%) 4.100 2.100 1.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.79668E-03 ppm1 2.456 ppm2 0.777 CV 1 OR { 1126} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 18 and name HD1%) OR { 1126} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 14 and name HD1%) ASSI { 1127} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 14 and name HD1%) 4.100 2.100 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.13365E-02 ppm1 2.287 ppm2 0.781 CV 1 OR { 1127} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 18 and name HD1%) OR { 1127} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 18 and name HD1%) ASSI { 1129} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 44 and name HG1%) 3.700 1.700 1.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.15641E-02 ppm1 2.454 ppm2 0.986 CV 1 OR { 1129} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 18 and name HG2%) OR { 1129} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 18 and name HG2%) OR { 1129} (( segid " " and resid 17 and name HG1 )) ( segid " " and resid 46 and name HG2%) OR { 1129} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 46 and name HG2%) OR { 1129} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 47 and name HG2%) ASSI { 1131} (( segid " " and resid 24 and name HG1 )) ( segid " " and resid 23 and name HG2%) 3.000 1.100 1.100 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 2.282 ppm2 0.970 CV 1 OR { 1131} (( segid " " and resid 24 and name HG2 )) ( segid " " and resid 23 and name HG2%) OR { 1131} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 18 and name HG2%) OR { 1131} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 44 and name HG1%) OR { 1131} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 46 and name HG2%) OR { 1131} (( segid " " and resid 13 and name HG2 )) ( segid " " and resid 23 and name HG1%) OR { 1131} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 46 and name HG2%) OR { 1131} (( segid " " and resid 17 and name HG2 )) ( segid " " and resid 18 and name HG2%) ASSI { 1132} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HG1%) 3.300 1.400 1.400 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.23872E-02 ppm1 4.067 ppm2 0.988 CV 1 OR { 1132} (( segid " " and resid 24 and name HA )) ( segid " " and resid 23 and name HG2%) OR { 1132} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG1%) OR { 1132} (( segid " " and resid 45 and name HA )) ( segid " " and resid 47 and name HG2%) OR { 1132} (( segid " " and resid 45 and name HA )) ( segid " " and resid 18 and name HG2%) OR { 1132} (( segid " " and resid 45 and name HA )) ( segid " " and resid 46 and name HG2%) ASSI { 1134} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 18 and name HG2%) 2.900 1.000 1.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.16774E-02 ppm1 2.165 ppm2 0.958 CV 1 OR { 1134} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 46 and name HG2%) OR { 1134} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 44 and name HG1%) OR { 1134} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 38 and name HG1%) ASSI { 1138} (( segid " " and resid 46 and name HB )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.27466E-02 ppm1 2.310 ppm2 3.931 CV 1 OR { 1138} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HA )) ASSI { 1148} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 32 and name HD% ) 3.600 1.700 1.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.44613E-03 ppm1 0.672 ppm2 7.181 CV 1 OR { 1148} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 54 and name HE% ) ASSI { 1150} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 50 and name HA )) 3.900 1.900 1.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.98044E-03 ppm1 0.678 ppm2 3.937 CV 1 OR { 1150} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 43 and name HA )) OR { 1150} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 48 and name HA )) ASSI { 1151} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.31946E-02 ppm1 0.984 ppm2 3.937 CV 1 OR { 1151} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 38 and name HA )) OR { 1151} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 20 and name HA2 )) OR { 1151} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 13 and name HA )) OR { 1151} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 43 and name HA )) OR { 1151} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 50 and name HA )) ASSI { 1152} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.900 1.000 1.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.34237E-02 ppm1 3.432 ppm2 1.524 CV 1 OR { 1152} (( segid " " and resid 46 and name HA )) ( segid " " and resid 50 and name HB% ) ASSI { 1153} (( segid " " and resid 47 and name HB )) ( segid " " and resid 43 and name HE% ) 3.700 1.700 1.700 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.95394E-03 ppm1 2.305 ppm2 1.435 CV 1 OR { 1153} (( segid " " and resid 46 and name HB )) ( segid " " and resid 43 and name HE% ) OR { 1153} (( segid " " and resid 69 and name HB )) (( segid " " and resid 67 and name HG2 )) ASSI { 1154} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 18 and name HG11)) 3.900 1.900 1.900 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.10195E-02 ppm1 0.675 ppm2 1.614 CV 1 OR { 1154} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 18 and name HB )) OR { 1154} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 40 and name H4B )) OR { 1154} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 72 and name HB% ) ASSI { 1155} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 50 and name HB% ) 3.100 1.200 1.200 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 0.676 ppm2 1.501 CV 1 OR { 1155} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 49 and name HB% ) ASSI { 1158} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 14 and name HG2%) 2.300 0.700 0.700 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.52960E-02 ppm1 0.674 ppm2 1.075 CV 1 OR { 1158} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HG12)) OR { 1158} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 68 and name HG2%) ASSI { 1163} (( segid " " and resid 46 and name HA )) ( segid " " and resid 18 and name HD1%) 2.500 0.800 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.46945E-02 ppm1 3.432 ppm2 0.778 CV 1 OR { 1163} (( segid " " and resid 69 and name HA )) ( segid " " and resid 26 and name HG1%) OR { 1163} (( segid " " and resid 46 and name HA )) ( segid " " and resid 14 and name HD1%) ASSI { 1169} (( segid " " and resid 47 and name HA )) (( segid " " and resid 40 and name H6A )) 3.800 1.900 1.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.82489E-03 ppm1 3.333 ppm2 0.786 CV 1 OR { 1169} (( segid " " and resid 47 and name HA )) (( segid " " and resid 40 and name H6B )) OR { 1169} (( segid " " and resid 47 and name HA )) (( segid " " and resid 40 and name H5B )) OR { 1169} (( segid " " and resid 47 and name HA )) ( segid " " and resid 63 and name HG2%) OR { 1169} (( segid " " and resid 47 and name HA )) ( segid " " and resid 63 and name HG1%) ASSI { 1173} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HN )) 4.100 2.100 1.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.47544E-03 ppm1 0.898 ppm2 8.849 CV 1 OR { 1173} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 50 and name HN )) ASSI { 1174} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.200 1.300 1.300 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.11131E-02 ppm1 3.328 ppm2 8.825 CV 1 OR { 1174} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 1189} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 58 and name HB )) 2.800 1.000 1.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.22246E-02 ppm1 0.900 ppm2 1.725 CV 1 OR { 1189} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 40 and name H4A )) ASSI { 1191} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 40 and name H8% ) 3.300 1.400 1.400 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.17992E-02 ppm1 1.001 ppm2 0.640 CV 1 OR { 1191} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 69 and name HG2%) OR { 1191} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 46 and name HG1%) OR { 1191} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 58 and name HD1%) OR { 1191} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 76 and name HD1%) ASSI { 1192} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 50 and name HB% ) 5.000 3.100 1.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.43027E-03 ppm1 1.002 ppm2 1.507 CV 1 OR { 1192} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 28 and name HB2 )) OR { 1192} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 9 and name HB% ) OR { 1192} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HG11)) OR { 1192} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 49 and name HB% ) ASSI { 1195} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.300 1.300 1.300 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.14070E-02 ppm1 3.923 ppm2 8.844 CV 1 OR { 1195} (( segid " " and resid 48 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 1208} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HB )) 3.700 1.700 1.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.12472E-02 ppm1 3.919 ppm2 2.296 CV 1 OR { 1208} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HG2 )) ASSI { 1213} (( segid " " and resid 48 and name HA )) ( segid " " and resid 47 and name HG1%) 3.400 1.500 1.500 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 3.923 ppm2 0.888 CV 1 OR { 1213} (( segid " " and resid 48 and name HA )) ( segid " " and resid 56 and name HG1%) ASSI { 1217} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HN )) 3.700 1.700 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.69376E-03 ppm1 1.530 ppm2 8.214 CV 1 OR { 1217} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HN )) OR { 1217} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 78 and name HN )) ASSI { 1225} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.19509E-02 ppm1 4.240 ppm2 2.037 CV 1 OR { 1225} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HB )) OR { 1225} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HB )) OR { 1225} (( segid " " and resid 49 and name HA )) (( segid " " and resid 14 and name HG11)) ASSI { 1227} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HG11)) 3.400 1.400 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.12207E-02 ppm1 1.526 ppm2 2.026 CV 1 OR { 1227} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HB )) OR { 1227} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HB2 )) ASSI { 1228} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HB1 )) 3.500 1.500 1.500 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.53959E-03 ppm1 1.524 ppm2 2.298 CV 1 OR { 1228} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 17 and name HG2 )) OR { 1228} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB )) OR { 1228} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 45 and name HB1 )) OR { 1228} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HG2 )) ASSI { 1229} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.20090E-02 ppm1 4.242 ppm2 2.134 CV 1 OR { 1229} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB2 )) OR { 1229} (( segid " " and resid 49 and name HA )) (( segid " " and resid 14 and name HB )) ASSI { 1233} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 18 and name HD1%) 2.700 0.900 0.900 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.68761E-02 ppm1 1.529 ppm2 0.755 CV 1 OR { 1233} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 14 and name HD1%) ASSI { 1235} (( segid " " and resid 50 and name HA )) (( segid " " and resid 14 and name HB )) 4.500 2.500 1.500 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.29070E-03 ppm1 3.954 ppm2 2.124 CV 1 OR { 1235} (( segid " " and resid 50 and name HA )) (( segid " " and resid 52 and name HB1 )) OR { 1235} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HB2 )) ASSI { 1236} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 14 and name HB )) 3.900 1.900 1.900 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.67725E-03 ppm1 1.498 ppm2 2.091 CV 1 OR { 1236} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HB2 )) OR { 1236} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 52 and name HB1 )) OR { 1236} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 52 and name HB2 )) OR { 1236} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 11 and name HB1 )) ASSI { 1237} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 11 and name HG )) 4.100 2.100 1.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.79664E-03 ppm1 1.509 ppm2 1.994 CV 1 OR { 1237} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 8 and name HB )) OR { 1237} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 14 and name HG11)) ASSI { 1243} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HN )) 3.900 1.900 1.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.40789E-03 ppm1 4.188 ppm2 8.172 CV 1 OR { 1243} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HN )) OR { 1243} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HN )) ASSI { 1245} (( segid " " and resid 51 and name HA )) (( segid " " and resid 56 and name HN )) 2.800 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.32426E-02 ppm1 4.188 ppm2 7.825 CV 1 OR { 1245} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 1248} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HA )) 3.100 1.200 1.200 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 2.301 ppm2 4.717 CV 1 OR { 1248} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 56 and name HA )) ASSI { 1262} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HB )) 3.900 1.900 1.900 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.69132E-03 ppm1 2.834 ppm2 1.696 CV 1 OR { 1262} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HB1 )) OR { 1262} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HB2 )) ASSI { 1263} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HG11)) 3.700 1.700 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.71371E-03 ppm1 2.836 ppm2 1.549 CV 1 OR { 1263} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 50 and name HB% ) ASSI { 1265} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 58 and name HB )) 3.800 1.800 1.800 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.49439E-03 ppm1 2.302 ppm2 1.685 CV 1 OR { 1265} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HB1 )) OR { 1265} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 57 and name HB2 )) ASSI { 1266} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 58 and name HG11)) 3.000 1.100 1.100 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.72594E-03 ppm1 2.298 ppm2 1.555 CV 1 OR { 1266} (( segid " " and resid 5 and name HG2 )) ( segid " " and resid 9 and name HB% ) ASSI { 1267} (( segid " " and resid 51 and name HA )) (( segid " " and resid 58 and name HG11)) 4.500 2.500 1.500 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.67762E-03 ppm1 4.185 ppm2 1.554 CV 1 OR { 1267} (( segid " " and resid 51 and name HA )) ( segid " " and resid 49 and name HB% ) OR { 1267} (( segid " " and resid 51 and name HA )) ( segid " " and resid 2 and name HB% ) ASSI { 1268} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 58 and name HD1%) 3.400 1.500 1.500 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.95971E-03 ppm1 2.831 ppm2 0.635 CV 1 OR { 1268} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 40 and name H8% ) OR { 1268} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 76 and name HD1%) ASSI { 1269} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 58 and name HD1%) 3.300 1.400 1.400 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.96808E-03 ppm1 2.300 ppm2 0.628 CV 1 OR { 1269} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 76 and name HD1%) ASSI { 1270} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 47 and name HG1%) 3.100 1.200 1.200 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.18026E-02 ppm1 2.832 ppm2 0.892 CV 1 OR { 1270} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 56 and name HG1%) ASSI { 1272} (( segid " " and resid 51 and name HA )) ( segid " " and resid 58 and name HD1%) 4.300 2.300 1.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.65059E-03 ppm1 4.183 ppm2 0.639 CV 1 OR { 1272} (( segid " " and resid 51 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 1272} (( segid " " and resid 51 and name HA )) ( segid " " and resid 40 and name H8% ) ASSI { 1282} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HN )) 3.600 1.600 1.600 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.74786E-03 ppm1 2.436 ppm2 8.213 CV 1 OR { 1282} (( segid " " and resid 52 and name HG1 )) (( segid " " and resid 53 and name HN )) OR { 1282} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 14 and name HN )) ASSI { 1283} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HN )) 3.700 1.700 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.93780E-03 ppm1 2.257 ppm2 8.219 CV 1 OR { 1283} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 14 and name HN )) OR { 1283} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 14 and name HN )) OR { 1283} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 53 and name HN )) ASSI { 1322} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 56 and name HN )) 4.400 2.500 1.600 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.68246E-03 ppm1 3.429 ppm2 7.818 CV 1 OR { 1322} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) ASSI { 1326} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 76 and name HD1%) 4.600 2.600 1.400 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.69289E-03 ppm1 3.437 ppm2 0.628 CV 1 OR { 1326} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 58 and name HD1%) ASSI { 1327} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 76 and name HG2%) 3.100 1.200 1.200 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.30238E-02 ppm1 3.439 ppm2 0.526 CV 1 OR { 1327} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 7 and name HD1%) ASSI { 1329} (( segid " " and resid 65 and name HB2 )) ( segid " " and resid 66 and name HD2%) 3.700 1.700 1.700 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.10217E-02 ppm1 2.746 ppm2 0.626 CV 1 OR { 1329} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 76 and name HD1%) OR { 1329} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 58 and name HD1%) ASSI { 1330} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 76 and name HG2%) 3.100 1.200 1.200 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.18178E-02 ppm1 2.750 ppm2 0.526 CV 1 OR { 1330} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 7 and name HD1%) ASSI { 1334} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 56 and name HN )) 3.200 1.300 1.300 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.66654E-03 ppm1 2.748 ppm2 7.830 CV 1 OR { 1334} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) ASSI { 1336} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 50 and name HA )) 3.300 1.400 1.400 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.18337E-02 ppm1 7.464 ppm2 3.950 CV 1 OR { 1336} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 53 and name HA )) ASSI { 1341} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 11 and name HG )) 4.200 2.200 1.800 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.72497E-03 ppm1 7.134 ppm2 1.988 CV 1 OR { 1341} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 76 and name HG11)) OR { 1341} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 56 and name HB )) ASSI { 1342} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 50 and name HB% ) 3.200 1.300 1.300 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.87599E-03 ppm1 7.127 ppm2 1.518 CV 1 OR { 1342} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 7 and name HG11)) ASSI { 1343} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 53 and name HB2 )) 3.800 1.800 1.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.36971E-03 ppm1 7.134 ppm2 1.068 CV 1 OR { 1343} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 8 and name HG2%) OR { 1343} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 73 and name HG2%) ASSI { 1344} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 53 and name HG1 )) 3.300 1.400 1.400 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.14386E-02 ppm1 7.130 ppm2 0.882 CV 1 OR { 1344} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 56 and name HG1%) OR { 1344} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 76 and name HG12)) ASSI { 1346} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 76 and name HD1%) 3.200 1.200 1.200 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.73144E-03 ppm1 7.126 ppm2 0.635 CV 1 OR { 1346} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 40 and name H8% ) ASSI { 1347} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 7 and name HG2%) 3.700 1.700 1.700 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.91345E-03 ppm1 7.132 ppm2 0.541 CV 1 OR { 1347} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 76 and name HG2%) OR { 1347} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 7 and name HD1%) ASSI { 1350} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 50 and name HB% ) 3.200 1.300 1.300 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.28440E-02 ppm1 7.464 ppm2 1.504 CV 1 OR { 1350} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 7 and name HG11)) ASSI { 1354} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 76 and name HD1%) 3.100 1.200 1.200 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.23700E-02 ppm1 7.466 ppm2 0.627 CV 1 OR { 1354} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 58 and name HD1%) ASSI { 1355} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 76 and name HG2%) 2.800 0.900 0.900 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.22615E-02 ppm1 7.465 ppm2 0.527 CV 1 OR { 1355} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 7 and name HG2%) OR { 1355} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 7 and name HD1%) ASSI { 1372} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 81 and name HN )) 4.800 2.900 1.200 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.53004E-03 ppm1 0.973 ppm2 8.302 CV 1 OR { 1372} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 43 and name HN )) ASSI { 1382} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 76 and name HA )) 3.300 1.300 1.300 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.17518E-02 ppm1 0.974 ppm2 3.462 CV 1 OR { 1382} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 54 and name HB1 )) ASSI { 1384} (( segid " " and resid 56 and name HB )) ( segid " " and resid 58 and name HD1%) 4.600 2.600 1.400 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.53272E-03 ppm1 2.018 ppm2 0.619 CV 1 OR { 1384} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 69 and name HG2%) OR { 1384} (( segid " " and resid 56 and name HB )) ( segid " " and resid 76 and name HD1%) ASSI { 1386} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 16 and name HB2 )) 2.800 1.000 1.000 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.22957E-02 ppm1 0.976 ppm2 2.730 CV 1 OR { 1386} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 54 and name HB2 )) OR { 1386} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HG1 )) ASSI { 1411} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 63 and name HB )) 3.600 1.600 1.600 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.45662E-03 ppm1 0.333 ppm2 1.909 CV 1 OR { 1411} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HG2 )) OR { 1411} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 1420} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 63 and name HG1%) 4.600 2.700 1.400 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.34580E-03 ppm1 0.327 ppm2 0.764 CV 1 OR { 1420} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 40 and name H6A )) OR { 1420} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 40 and name H6B )) ASSI { 1424} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 51 and name HG2 )) 3.300 1.300 1.300 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.97429E-03 ppm1 0.637 ppm2 2.297 CV 1 OR { 1424} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 80 and name HB1 )) ASSI { 1426} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 76 and name HG11)) 4.100 2.100 1.900 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.74439E-03 ppm1 0.639 ppm2 1.990 CV 1 OR { 1426} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 56 and name HB )) ASSI { 1452} (( segid " " and resid 59 and name HA )) (( segid " " and resid 58 and name HB )) 4.000 2.000 2.000 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.39690E-03 ppm1 4.405 ppm2 1.671 CV 1 OR { 1452} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HB1 )) OR { 1452} (( segid " " and resid 59 and name HA )) (( segid " " and resid 57 and name HB2 )) OR { 1452} (( segid " " and resid 59 and name HA )) (( segid " " and resid 64 and name HD2 )) ASSI { 1455} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 61 and name HN )) 5.300 3.500 0.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.36665E-03 ppm1 1.965 ppm2 8.640 CV 1 OR { 1455} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 60 and name HN )) OR { 1455} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 60 and name HN )) OR { 1455} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 61 and name HN )) ASSI { 1514} (( segid " " and resid 38 and name HB )) (( segid " " and resid 40 and name HA )) 4.000 2.000 2.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.64438E-03 ppm1 1.901 ppm2 4.065 CV 1 OR { 1514} (( segid " " and resid 38 and name HB )) (( segid " " and resid 32 and name HA )) OR { 1514} (( segid " " and resid 63 and name HB )) (( segid " " and resid 64 and name HA )) OR { 1514} (( segid " " and resid 38 and name HB )) (( segid " " and resid 40 and name HB1 )) ASSI { 1518} (( segid " " and resid 63 and name HA )) ( segid " " and resid 47 and name HG2%) 5.700 4.100 0.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.22971E-03 ppm1 3.205 ppm2 1.013 CV 1 OR { 1518} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H5A )) OR { 1518} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H7A )) OR { 1518} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H7B )) ASSI { 1520} (( segid " " and resid 63 and name HA )) ( segid " " and resid 66 and name HD2%) 3.900 1.900 1.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.12741E-02 ppm1 3.215 ppm2 0.632 CV 1 OR { 1520} (( segid " " and resid 63 and name HA )) ( segid " " and resid 40 and name H8% ) ASSI { 1523} (( segid " " and resid 63 and name HB )) ( segid " " and resid 58 and name HD1%) 4.200 2.200 1.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.63957E-03 ppm1 1.904 ppm2 0.637 CV 1 OR { 1523} (( segid " " and resid 63 and name HB )) ( segid " " and resid 40 and name H8% ) OR { 1523} (( segid " " and resid 63 and name HB )) ( segid " " and resid 66 and name HD2%) OR { 1523} (( segid " " and resid 38 and name HB )) ( segid " " and resid 46 and name HG1%) ASSI { 1527} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HB2 )) 4.300 2.300 1.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.61678E-03 ppm1 0.780 ppm2 1.760 CV 1 OR { 1527} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HG )) OR { 1527} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H4A )) ASSI { 1528} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 43 and name HE% ) 3.000 1.100 1.100 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 0.779 ppm2 1.432 CV 1 OR { 1528} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HG1 )) OR { 1528} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HG2 )) ASSI { 1530} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 47 and name HB )) 4.100 2.100 1.900 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.41972E-03 ppm1 0.781 ppm2 2.277 CV 1 OR { 1530} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HB1 )) ASSI { 1531} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 44 and name HB )) 4.300 2.300 1.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.24028E-03 ppm1 0.778 ppm2 2.224 CV 1 OR { 1531} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 43 and name HG2 )) OR { 1531} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HB1 )) ASSI { 1537} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 66 and name HG )) 3.700 1.700 1.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 0.830 ppm2 1.753 CV 1 OR { 1537} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H4A )) ASSI { 1557} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 63 and name HG1%) 4.000 2.000 2.000 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.73031E-03 ppm1 1.392 ppm2 0.781 CV 1 OR { 1557} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 63 and name HG1%) OR { 1557} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 63 and name HG2%) OR { 1557} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 63 and name HG2%) OR { 1557} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 58 and name HG12)) ASSI { 1571} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 68 and name HN )) 4.900 3.100 1.100 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.41994E-03 ppm1 0.622 ppm2 8.537 CV 1 OR { 1571} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 76 and name HN )) ASSI { 1576} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 75 and name HD% ) 3.900 1.900 1.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.48062E-03 ppm1 0.383 ppm2 6.819 CV 1 OR { 1576} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 32 and name HZ )) ASSI { 1583} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HA )) 4.400 2.400 1.600 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.63704E-03 ppm1 0.619 ppm2 4.222 CV 1 OR { 1583} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 73 and name HB )) ASSI { 1585} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.500 0.800 0.800 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.50300E-02 ppm1 0.621 ppm2 3.108 CV 1 OR { 1585} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HB1 )) OR { 1585} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 71 and name HB1 )) ASSI { 1589} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 75 and name HB1 )) 3.700 1.700 1.700 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.99455E-03 ppm1 0.381 ppm2 3.109 CV 1 OR { 1589} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 1589} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 71 and name HB1 )) ASSI { 1593} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HB1 )) 2.500 0.800 0.800 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.31771E-02 ppm1 1.800 ppm2 2.051 CV 1 OR { 1593} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 27 and name HB1 )) ASSI { 1595} (( segid " " and resid 30 and name HG1 )) ( segid " " and resid 36 and name HD2%) 3.400 1.400 1.400 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 1.800 ppm2 0.795 CV 1 OR { 1595} (( segid " " and resid 66 and name HG )) ( segid " " and resid 63 and name HG2%) ASSI { 1607} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 72 and name HB% ) 3.400 1.400 1.400 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.87737E-03 ppm1 2.236 ppm2 1.597 CV 1 OR { 1607} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 67 and name HG1 )) ASSI { 1651} (( segid " " and resid 68 and name HA )) (( segid " " and resid 66 and name HB1 )) 4.300 2.300 1.700 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.49161E-03 ppm1 5.225 ppm2 2.277 CV 1 OR { 1651} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB )) ASSI { 1658} (( segid " " and resid 68 and name HA )) ( segid " " and resid 36 and name HD2%) 4.600 2.700 1.400 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.88464E-04 ppm1 5.224 ppm2 0.810 CV 1 OR { 1658} (( segid " " and resid 68 and name HA )) (( segid " " and resid 40 and name H6B )) OR { 1658} (( segid " " and resid 68 and name HA )) ( segid " " and resid 28 and name HD1%) OR { 1658} (( segid " " and resid 68 and name HA )) (( segid " " and resid 40 and name H5B )) OR { 1658} (( segid " " and resid 68 and name HA )) ( segid " " and resid 63 and name HG2%) ASSI { 1666} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HN )) 3.400 1.400 1.400 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.79237E-03 ppm1 3.388 ppm2 8.219 CV 1 OR { 1666} (( segid " " and resid 46 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 1673} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 30 and name HN )) 3.700 1.700 1.700 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 0.456 ppm2 7.499 CV 1 OR { 1673} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 54 and name HZ )) ASSI { 1675} (( segid " " and resid 69 and name HA )) ( segid " " and resid 32 and name HE% ) 2.700 0.900 0.900 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.23799E-02 ppm1 3.389 ppm2 6.986 CV 1 OR { 1675} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HN )) ASSI { 1677} (( segid " " and resid 69 and name HB )) (( segid " " and resid 30 and name HN )) 4.700 2.700 1.300 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.65143E-03 ppm1 2.278 ppm2 7.508 CV 1 OR { 1677} (( segid " " and resid 15 and name HB )) (( segid " " and resid 26 and name HN )) OR { 1677} (( segid " " and resid 69 and name HB )) (( segid " " and resid 54 and name HZ )) OR { 1677} (( segid " " and resid 47 and name HB )) (( segid " " and resid 62 and name HN )) OR { 1677} (( segid " " and resid 15 and name HB )) (( segid " " and resid 36 and name HN )) ASSI { 1681} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 26 and name HA )) 3.800 1.800 1.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.17744E-02 ppm1 0.459 ppm2 3.565 CV 1 OR { 1681} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HA )) ASSI { 1685} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 70 and name HA1 )) 4.100 2.100 1.900 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.56259E-03 ppm1 0.456 ppm2 4.062 CV 1 OR { 1685} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 72 and name HA )) ASSI { 1686} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HA2 )) 3.900 1.900 1.900 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.74005E-03 ppm1 0.658 ppm2 3.795 CV 1 OR { 1686} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HA )) ASSI { 1687} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HA )) 3.400 3.400 2.600 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.30440E-02 ppm1 0.657 ppm2 3.678 CV 1 OR { 1687} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 44 and name HA )) OR { 1687} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 4 and name HA )) ASSI { 1688} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HA )) 2.100 0.600 0.600 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.41370E-02 ppm1 0.656 ppm2 3.577 CV 1 OR { 1688} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 15 and name HA )) ASSI { 1689} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HA1 )) 4.300 2.300 1.700 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.63102E-03 ppm1 0.655 ppm2 4.002 CV 1 OR { 1689} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 50 and name HA )) ASSI { 1690} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HA )) 4.300 2.300 1.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.57608E-03 ppm1 0.668 ppm2 4.208 CV 1 OR { 1690} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HB )) OR { 1690} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 49 and name HA )) ASSI { 1691} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HG )) 4.100 2.100 1.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.81366E-03 ppm1 0.663 ppm2 1.749 CV 1 OR { 1691} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HB1 )) OR { 1691} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 40 and name H4A )) ASSI { 1694} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 30 and name HB1 )) 2.300 2.300 3.700 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.18701E-02 ppm1 0.459 ppm2 2.056 CV 1 OR { 1694} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 27 and name HB1 )) ASSI { 1696} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 36 and name HG )) 3.300 1.400 1.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.63286E-03 ppm1 0.457 ppm2 1.493 CV 1 OR { 1696} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 27 and name HB2 )) OR { 1696} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 50 and name HB% ) OR { 1696} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 67 and name HG2 )) OR { 1696} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 74 and name HG2 )) ASSI { 1698} (( segid " " and resid 69 and name HA )) ( segid " " and resid 72 and name HB% ) 2.600 0.800 0.800 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.25484E-02 ppm1 3.386 ppm2 1.603 CV 1 OR { 1698} (( segid " " and resid 46 and name HA )) (( segid " " and resid 18 and name HG11)) ASSI { 1702} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 11 and name HD1%) 2.700 0.900 0.900 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.24750E-02 ppm1 0.458 ppm2 0.888 CV 1 OR { 1702} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 28 and name HD2%) ASSI { 1704} (( segid " " and resid 69 and name HA )) ( segid " " and resid 11 and name HD1%) 3.700 1.700 1.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.12705E-02 ppm1 3.383 ppm2 0.866 CV 1 OR { 1704} (( segid " " and resid 46 and name HA )) ( segid " " and resid 11 and name HD2%) OR { 1704} (( segid " " and resid 69 and name HA )) ( segid " " and resid 8 and name HG1%) OR { 1704} (( segid " " and resid 69 and name HA )) ( segid " " and resid 28 and name HD2%) ASSI { 1721} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 73 and name HA )) 3.900 1.900 1.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 3.786 ppm2 3.673 CV 1 OR { 1721} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 4 and name HA )) ASSI { 1724} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 69 and name HB )) 4.200 2.200 1.800 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.40252E-03 ppm1 3.785 ppm2 2.257 CV 1 OR { 1724} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 4 and name HG1 )) ASSI { 1725} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HB1 )) 4.200 2.200 1.800 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.34739E-03 ppm1 4.018 ppm2 1.747 CV 1 OR { 1725} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HG )) OR { 1725} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 74 and name HD1 )) ASSI { 1726} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 28 and name HG )) 4.000 2.000 2.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.33185E-03 ppm1 3.796 ppm2 1.740 CV 1 OR { 1726} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 28 and name HB1 )) OR { 1726} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 74 and name HD1 )) ASSI { 1727} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 28 and name HB2 )) 3.400 1.500 1.500 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.68958E-03 ppm1 3.797 ppm2 1.465 CV 1 OR { 1727} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 74 and name HG1 )) OR { 1727} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 74 and name HG2 )) OR { 1727} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 1728} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HB2 )) 3.400 1.500 1.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.85155E-03 ppm1 4.010 ppm2 1.471 CV 1 OR { 1728} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 67 and name HG2 )) OR { 1728} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 74 and name HG1 )) OR { 1728} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 74 and name HG2 )) ASSI { 1747} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 3.500 3.500 2.500 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.17393E-02 ppm1 4.494 ppm2 1.964 CV 1 OR { 1747} (( segid " " and resid 71 and name HA )) (( segid " " and resid 76 and name HG11)) ASSI { 1748} (( segid " " and resid 71 and name HA )) ( segid " " and resid 66 and name HD2%) 3.900 1.900 1.900 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.91948E-03 ppm1 4.490 ppm2 0.625 CV 1 OR { 1748} (( segid " " and resid 71 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 1757} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 32 and name HZ )) 2.900 1.100 1.100 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.24944E-02 ppm1 1.610 ppm2 6.868 CV 1 OR { 1757} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 75 and name HD% ) ASSI { 1764} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 66 and name HB1 )) 4.500 2.600 1.500 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.20650E-03 ppm1 1.610 ppm2 2.239 CV 1 OR { 1764} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 69 and name HB )) ASSI { 1766} (( segid " " and resid 72 and name HA )) (( segid " " and resid 66 and name HB1 )) 4.400 2.400 1.600 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.32401E-03 ppm1 4.120 ppm2 2.240 CV 1 OR { 1766} (( segid " " and resid 72 and name HA )) (( segid " " and resid 69 and name HB )) ASSI { 1768} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HB )) 4.600 2.700 1.400 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.29398E-03 ppm1 4.103 ppm2 1.788 CV 1 OR { 1768} (( segid " " and resid 72 and name HA )) (( segid " " and resid 7 and name HB )) OR { 1768} (( segid " " and resid 72 and name HA )) (( segid " " and resid 74 and name HD1 )) OR { 1768} (( segid " " and resid 72 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 1771} (( segid " " and resid 72 and name HA )) ( segid " " and resid 66 and name HD2%) 2.500 0.800 0.800 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.42550E-02 ppm1 4.113 ppm2 0.622 CV 1 OR { 1771} (( segid " " and resid 72 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 1771} (( segid " " and resid 72 and name HA )) ( segid " " and resid 58 and name HD1%) ASSI { 1772} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HG12)) 3.600 1.700 1.700 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.15546E-02 ppm1 4.117 ppm2 0.894 CV 1 OR { 1772} (( segid " " and resid 72 and name HA )) ( segid " " and resid 56 and name HG1%) ASSI { 1773} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 11 and name HD1%) 2.300 0.700 0.700 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.36166E-02 ppm1 1.610 ppm2 0.867 CV 1 OR { 1773} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 66 and name HB2 )) OR { 1773} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 63 and name HG2%) OR { 1773} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 58 and name HG12)) OR { 1773} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 77 and name HD1%) OR { 1773} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 28 and name HD2%) OR { 1773} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 77 and name HD2%) ASSI { 1776} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H6B )) 3.200 1.300 1.300 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.30907E-03 ppm1 1.607 ppm2 0.765 CV 1 OR { 1776} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H6A )) OR { 1776} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 40 and name H5B )) OR { 1776} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 28 and name HD1%) ASSI { 1784} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HN )) 4.100 2.100 1.900 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.71598E-03 ppm1 1.108 ppm2 8.510 CV 1 OR { 1784} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 76 and name HN )) ASSI { 1786} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HE22)) 3.900 1.900 1.900 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.51799E-03 ppm1 1.110 ppm2 7.502 CV 1 OR { 1786} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 54 and name HZ )) OR { 1786} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 54 and name HD% ) ASSI { 1792} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HA )) 3.200 1.300 1.300 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 1.112 ppm2 3.929 CV 1 OR { 1792} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HA )) ASSI { 1793} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 70 and name HA1 )) 3.000 3.000 3.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.57399E-03 ppm1 1.111 ppm2 4.051 CV 1 OR { 1793} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 1 and name HA )) ASSI { 1797} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.21197E-02 ppm1 1.110 ppm2 2.026 CV 1 OR { 1797} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HB1 )) ASSI { 1798} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HD1 )) 2.500 0.800 0.800 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.49014E-02 ppm1 1.111 ppm2 1.780 CV 1 OR { 1798} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HB )) OR { 1798} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 76 and name HB )) OR { 1798} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HB1 )) ASSI { 1799} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HD2 )) 3.000 1.200 1.200 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.14639E-02 ppm1 1.112 ppm2 1.629 CV 1 OR { 1799} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 77 and name HG )) ASSI { 1800} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HG11)) 5.200 3.400 0.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.15610E-03 ppm1 1.111 ppm2 1.548 CV 1 OR { 1800} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 2 and name HB% ) ASSI { 1807} (( segid " " and resid 73 and name HB )) ( segid " " and resid 28 and name HD1%) 3.700 1.700 1.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.14720E-02 ppm1 4.187 ppm2 0.816 CV 1 OR { 1807} (( segid " " and resid 73 and name HB )) ( segid " " and resid 77 and name HD1%) OR { 1807} (( segid " " and resid 73 and name HB )) ( segid " " and resid 77 and name HD2%) ASSI { 1813} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 71 and name HA )) 4.000 2.000 2.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.83042E-03 ppm1 1.976 ppm2 4.484 CV 1 OR { 1813} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 3 and name HA )) ASSI { 1821} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HD1 )) 3.100 1.200 1.200 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.34281E-02 ppm1 3.942 ppm2 1.761 CV 1 OR { 1821} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 1825} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HN )) 3.400 1.400 1.400 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 3.943 ppm2 8.512 CV 1 OR { 1825} (( segid " " and resid 74 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 1830} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB1 )) 3.200 1.300 1.300 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 4.229 ppm2 2.533 CV 1 OR { 1830} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HB2 )) ASSI { 1833} (( segid " " and resid 75 and name HA )) ( segid " " and resid 66 and name HD2%) 4.500 2.500 1.500 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.76736E-03 ppm1 4.236 ppm2 0.609 CV 1 OR { 1833} (( segid " " and resid 75 and name HA )) ( segid " " and resid 58 and name HD1%) OR { 1833} (( segid " " and resid 75 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 1834} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 66 and name HD2%) 3.100 1.200 1.200 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.35401E-02 ppm1 3.125 ppm2 0.621 CV 1 OR { 1834} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 66 and name HD2%) OR { 1834} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 36 and name HD1%) OR { 1834} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 76 and name HD1%) OR { 1834} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 36 and name HD1%) OR { 1834} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 58 and name HD1%) OR { 1834} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 76 and name HD1%) OR { 1834} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 58 and name HD1%) ASSI { 1836} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 66 and name HD1%) 3.700 1.800 1.800 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.11097E-02 ppm1 3.119 ppm2 0.377 CV 1 OR { 1836} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 66 and name HD1%) OR { 1836} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 58 and name HG2%) OR { 1836} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 58 and name HG2%) ASSI { 1839} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 76 and name HN )) 2.500 0.800 0.800 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.20861E-02 ppm1 3.117 ppm2 8.538 CV 1 OR { 1839} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) OR { 1839} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 77 and name HN )) ASSI { 1840} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HN )) 3.600 1.600 1.600 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.88139E-03 ppm1 4.229 ppm2 8.526 CV 1 OR { 1840} (( segid " " and resid 75 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 1841} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) 3.700 1.700 1.700 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.59169E-03 ppm1 4.233 ppm2 8.254 CV 1 OR { 1841} (( segid " " and resid 75 and name HA )) (( segid " " and resid 72 and name HN )) ASSI { 1852} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 71 and name HB2 )) 4.400 2.400 1.600 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.43205E-04 ppm1 6.551 ppm2 2.865 CV 1 OR { 1852} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 51 and name HG1 )) ASSI { 1853} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 79 and name HB2 )) 3.600 1.600 1.600 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.74224E-03 ppm1 6.556 ppm2 2.516 CV 1 OR { 1853} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 78 and name HB1 )) ASSI { 1857} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HG12)) 3.500 1.500 1.500 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 6.828 ppm2 0.934 CV 1 OR { 1857} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 56 and name HG2%) OR { 1857} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 56 and name HG1%) ASSI { 1858} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 58 and name HB )) 3.000 3.000 3.000 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.47962E-03 ppm1 6.557 ppm2 1.711 CV 1 OR { 1858} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 77 and name HB2 )) ASSI { 1859} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 58 and name HG11)) 4.300 2.300 1.700 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.11526E-02 ppm1 6.556 ppm2 1.561 CV 1 OR { 1859} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 72 and name HB% ) ASSI { 1860} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 76 and name HG12)) 3.900 1.900 1.900 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.15755E-02 ppm1 6.555 ppm2 0.952 CV 1 OR { 1860} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 56 and name HG2%) OR { 1860} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 56 and name HG1%) ASSI { 1862} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 58 and name HD1%) 2.900 1.100 1.100 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.26374E-02 ppm1 6.554 ppm2 0.631 CV 1 OR { 1862} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 66 and name HD2%) ASSI { 1863} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 58 and name HD1%) 2.800 1.000 1.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.27229E-02 ppm1 6.820 ppm2 0.622 CV 1 OR { 1863} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 66 and name HD2%) OR { 1863} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 76 and name HD1%) ASSI { 1865} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 58 and name HG2%) 3.900 1.900 1.900 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.81584E-03 ppm1 6.823 ppm2 0.369 CV 1 OR { 1865} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 66 and name HD1%) ASSI { 1876} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HE22)) 4.300 2.300 1.700 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.27216E-03 ppm1 0.530 ppm2 7.710 CV 1 OR { 1876} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 79 and name HN )) ASSI { 1882} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HN )) 3.400 1.500 1.500 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.71105E-03 ppm1 3.500 ppm2 7.701 CV 1 OR { 1882} (( segid " " and resid 76 and name HA )) (( segid " " and resid 80 and name HE22)) ASSI { 1883} (( segid " " and resid 76 and name HA )) (( segid " " and resid 80 and name HN )) 4.100 2.100 1.900 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.52616E-03 ppm1 3.503 ppm2 7.866 CV 1 OR { 1883} (( segid " " and resid 76 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 1885} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HA )) 3.600 1.600 1.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.47865E-03 ppm1 0.528 ppm2 3.892 CV 1 OR { 1885} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 74 and name HA )) ASSI { 1890} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 54 and name HB2 )) 3.800 1.800 1.800 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.66570E-03 ppm1 0.528 ppm2 2.750 CV 1 OR { 1890} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HG1 )) ASSI { 1898} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 2 and name HB% ) 4.500 2.500 1.500 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.48808E-03 ppm1 0.528 ppm2 1.570 CV 1 OR { 1898} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 58 and name HG11)) OR { 1898} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 7 and name HG11)) ASSI { 1904} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 54 and name HB2 )) 2.800 2.800 3.200 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.64678E-03 ppm1 0.624 ppm2 2.752 CV 1 OR { 1904} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 80 and name HG1 )) ASSI { 1923} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HE22)) 3.000 1.100 1.100 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.28827E-02 ppm1 3.894 ppm2 7.712 CV 1 OR { 1923} (( segid " " and resid 77 and name HA )) (( segid " " and resid 79 and name HN )) OR { 1923} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HN )) ASSI { 1927} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HE22)) 3.000 1.100 1.100 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.16953E-02 ppm1 0.824 ppm2 7.709 CV 1 OR { 1927} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 79 and name HN )) OR { 1927} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HE22)) OR { 1927} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 1931} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HB1 )) 2.700 0.900 0.900 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.37980E-02 ppm1 0.825 ppm2 2.177 CV 1 OR { 1931} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HB2 )) OR { 1931} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 78 and name HB2 )) OR { 1931} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HB2 )) ASSI { 1934} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HB2 )) 3.300 1.400 1.400 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.10551E-02 ppm1 0.823 ppm2 2.024 CV 1 OR { 1934} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 74 and name HB1 )) ASSI { 1935} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HB2 )) 3.200 1.300 1.300 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.75741E-03 ppm1 0.827 ppm2 2.058 CV 1 OR { 1935} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 56 and name HB )) ASSI { 1983} (( segid " " and resid 80 and name HA )) ( segid " " and resid 76 and name HG2%) 4.900 3.000 1.100 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.52030E-03 ppm1 4.415 ppm2 0.515 CV 1 OR { 1983} (( segid " " and resid 78 and name HA )) ( segid " " and resid 76 and name HG2%) OR { 1983} (( segid " " and resid 80 and name HA )) ( segid " " and resid 7 and name HD1%) ASSI { 1984} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 76 and name HG2%) 4.500 2.500 1.500 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.62328E-03 ppm1 2.715 ppm2 0.527 CV 1 OR { 1984} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 7 and name HD1%) ASSI { 1985} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 76 and name HG2%) 3.600 1.600 1.600 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.76050E-03 ppm1 2.588 ppm2 0.521 CV 1 OR { 1985} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 7 and name HD1%) ASSI { 1987} (( segid " " and resid 80 and name HB2 )) ( segid " " and resid 76 and name HG2%) 4.200 2.200 1.800 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 2.151 ppm2 0.527 CV 1 OR { 1987} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 7 and name HD1%) OR { 1987} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 7 and name HG2%) ASSI { 2010} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HG1 )) 3.600 1.600 1.600 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.69660E-03 ppm1 1.520 ppm2 2.706 CV 1 OR { 2010} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HD2 )) OR { 2010} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 54 and name HB2 )) ASSI { 2019} (( segid " " and resid 56 and name HB )) ( segid " " and resid 56 and name HG2%) 2.100 0.500 0.500 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.69136E-02 ppm1 2.017 ppm2 0.948 CV 1 OR { 2019} (( segid " " and resid 56 and name HB )) ( segid " " and resid 56 and name HG1%) OR { 2019} (( segid " " and resid 27 and name HB1 )) ( segid " " and resid 8 and name HG1%) ASSI { 2031} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 18 and name HG12)) 4.300 2.300 1.700 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.73325E-03 ppm1 0.658 ppm2 1.289 CV 1 OR { 2031} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HB2 )) ASSI { 2036} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HN )) 4.400 2.400 1.600 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.42016E-03 ppm1 0.657 ppm2 8.462 CV 1 OR { 2036} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 19 and name HN )) ASSI { 2037} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 15 and name HN )) 4.000 2.000 2.000 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.51362E-03 ppm1 0.679 ppm2 8.807 CV 1 OR { 2037} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 50 and name HN )) ASSI { 2038} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HN )) 4.200 2.200 1.800 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.37355E-03 ppm1 0.669 ppm2 8.222 CV 1 OR { 2038} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 72 and name HN )) OR { 2038} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 18 and name HN )) ASSI { 2044} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 8 and name HA )) 2.600 2.600 3.400 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.99617E-03 ppm1 1.109 ppm2 3.387 CV 1 OR { 2044} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 69 and name HA )) ASSI { 2048} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HB1 )) 3.500 1.500 1.500 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.81063E-03 ppm1 1.519 ppm2 2.337 CV 1 OR { 2048} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 45 and name HB1 )) OR { 2048} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 6 and name HG2 )) OR { 2048} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HG2 )) ASSI { 2050} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) 4.100 2.200 1.900 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.61956E-03 ppm1 1.521 ppm2 3.908 CV 1 OR { 2050} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HA )) OR { 2050} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 77 and name HA )) ASSI { 2051} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HN )) 3.600 1.600 1.600 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 1.518 ppm2 7.656 CV 1 OR { 2051} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HE21)) ASSI { 2054} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 54 and name HB2 )) 6.000 4.600 0.000 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.12500E-03 ppm1 1.570 ppm2 2.726 CV 1 OR { 2054} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HG1 )) ASSI { 2058} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HB1 )) 5.000 3.100 1.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.74670E-03 ppm1 1.368 ppm2 2.486 CV 1 OR { 2058} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 5 and name HG1 )) ASSI { 2060} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HG2 )) 4.900 3.000 1.100 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.35454E-03 ppm1 1.363 ppm2 2.340 CV 1 OR { 2060} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 5 and name HG2 )) ASSI { 2064} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 16 and name HA )) 4.900 3.100 1.100 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.34705E-03 ppm1 1.545 ppm2 4.682 CV 1 OR { 2064} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 39 and name HA )) ASSI { 2072} (( segid " " and resid 3 and name HA )) ( segid " " and resid 2 and name HB% ) 5.100 3.200 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.14828E-03 ppm1 4.439 ppm2 1.551 CV 1 OR { 2072} (( segid " " and resid 3 and name HA )) (( segid " " and resid 7 and name HG11)) ASSI { 2083} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 28 and name HD2%) 4.000 2.000 2.000 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.32255E-03 ppm1 2.159 ppm2 0.892 CV 1 OR { 2083} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 8 and name HG1%) ASSI { 2091} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 56 and name HN )) 4.400 2.400 1.600 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.42147E-03 ppm1 2.106 ppm2 7.806 CV 1 OR { 2091} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 55 and name HN )) OR { 2091} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 55 and name HN )) OR { 2091} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 56 and name HN )) ASSI { 2092} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 57 and name HA )) 4.800 2.900 1.200 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.36650E-03 ppm1 2.117 ppm2 4.723 CV 1 OR { 2092} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 3 and name HB )) ASSI { 2100} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HN )) 4.700 2.700 1.300 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.37742E-03 ppm1 3.891 ppm2 7.711 CV 1 OR { 2100} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HN )) OR { 2100} (( segid " " and resid 7 and name HA )) (( segid " " and resid 80 and name HE22)) ASSI { 2102} (( segid " " and resid 7 and name HA )) (( segid " " and resid 53 and name HB2 )) 5.100 3.200 0.900 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.33578E-03 ppm1 3.890 ppm2 1.113 CV 1 OR { 2102} (( segid " " and resid 7 and name HA )) ( segid " " and resid 73 and name HG2%) ASSI { 2103} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HG )) 4.400 2.400 1.600 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.49997E-03 ppm1 3.891 ppm2 1.987 CV 1 OR { 2103} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HB )) OR { 2103} (( segid " " and resid 7 and name HA )) (( segid " " and resid 76 and name HG11)) OR { 2103} (( segid " " and resid 7 and name HA )) (( segid " " and resid 56 and name HB )) ASSI { 2107} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 4 and name HA )) 4.300 2.300 1.700 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.31896E-03 ppm1 1.531 ppm2 3.686 CV 1 OR { 2107} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 73 and name HA )) ASSI { 2110} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 76 and name HG11)) 4.700 2.700 1.300 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.40870E-03 ppm1 0.528 ppm2 1.987 CV 1 OR { 2110} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 56 and name HB )) OR { 2110} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 74 and name HB1 )) OR { 2110} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 8 and name HB )) ASSI { 2115} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 3 and name HA )) 5.000 3.100 1.000 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.22676E-03 ppm1 0.529 ppm2 4.436 CV 1 OR { 2115} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 78 and name HA )) ASSI { 2116} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 73 and name HB )) 4.700 2.800 1.300 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.39010E-03 ppm1 0.529 ppm2 4.174 CV 1 OR { 2116} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HA )) ASSI { 2119} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HN )) 5.000 3.100 1.000 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.15769E-03 ppm1 0.535 ppm2 9.232 CV 1 OR { 2119} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 11 and name HN )) ASSI { 2120} (( segid " " and resid 8 and name HA )) ( segid " " and resid 12 and name HB% ) 4.600 2.700 1.400 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.43489E-03 ppm1 3.388 ppm2 1.673 CV 1 OR { 2120} (( segid " " and resid 8 and name HA )) (( segid " " and resid 77 and name HG )) ASSI { 2121} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HB )) 4.500 2.500 1.500 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.47444E-03 ppm1 3.393 ppm2 1.779 CV 1 OR { 2121} (( segid " " and resid 8 and name HA )) (( segid " " and resid 28 and name HG )) OR { 2121} (( segid " " and resid 8 and name HA )) (( segid " " and resid 28 and name HB1 )) ASSI { 2122} (( segid " " and resid 8 and name HA )) (( segid " " and resid 73 and name HA )) 5.100 3.200 0.900 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.26103E-03 ppm1 3.392 ppm2 3.664 CV 1 OR { 2122} (( segid " " and resid 8 and name HA )) (( segid " " and resid 4 and name HA )) ASSI { 2123} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HA )) 4.500 2.600 1.500 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.36628E-03 ppm1 3.390 ppm2 3.916 CV 1 OR { 2123} (( segid " " and resid 8 and name HA )) (( segid " " and resid 5 and name HA )) OR { 2123} (( segid " " and resid 8 and name HA )) (( segid " " and resid 10 and name HA2 )) ASSI { 2124} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HA )) 4.400 2.400 1.600 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.41089E-03 ppm1 3.393 ppm2 4.178 CV 1 OR { 2124} (( segid " " and resid 8 and name HA )) (( segid " " and resid 6 and name HA )) OR { 2124} (( segid " " and resid 8 and name HA )) (( segid " " and resid 73 and name HB )) ASSI { 2125} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HA )) 4.600 2.600 1.400 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.38345E-03 ppm1 3.391 ppm2 4.233 CV 1 OR { 2125} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HA )) ASSI { 2129} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 28 and name HB2 )) 5.500 3.700 0.500 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.30397E-03 ppm1 1.050 ppm2 1.482 CV 1 OR { 2129} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 9 and name HB% ) ASSI { 2132} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 11 and name HN )) 5.700 4.100 0.300 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.14760E-03 ppm1 1.044 ppm2 9.251 CV 1 OR { 2132} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HN )) ASSI { 2133} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 3 and name HN )) 5.400 3.600 0.600 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.19753E-03 ppm1 1.045 ppm2 8.511 CV 1 OR { 2133} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 76 and name HN )) OR { 2133} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 77 and name HN )) OR { 2133} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 68 and name HN )) OR { 2133} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 76 and name HN )) ASSI { 2134} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 73 and name HN )) 4.900 3.000 1.100 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.26966E-03 ppm1 1.043 ppm2 8.628 CV 1 OR { 2134} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 60 and name HN )) OR { 2134} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 61 and name HN )) ASSI { 2137} (( segid " " and resid 9 and name HA )) ( segid " " and resid 26 and name HG1%) 4.600 2.700 1.400 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.43786E-03 ppm1 4.233 ppm2 0.738 CV 1 OR { 2137} (( segid " " and resid 49 and name HA )) ( segid " " and resid 14 and name HD1%) OR { 2137} (( segid " " and resid 49 and name HA )) ( segid " " and resid 18 and name HD1%) ASSI { 2143} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 5 and name HG1 )) 4.500 2.500 1.500 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.43427E-03 ppm1 1.519 ppm2 2.491 CV 1 OR { 2143} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HB1 )) OR { 2143} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 6 and name HB1 )) OR { 2143} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 52 and name HG1 )) ASSI { 2145} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HG2 )) 4.100 2.100 1.900 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.37049E-03 ppm1 1.518 ppm2 2.339 CV 1 OR { 2145} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 5 and name HG2 )) OR { 2145} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 13 and name HG2 )) OR { 2145} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 26 and name HB )) OR { 2145} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 13 and name HB1 )) ASSI { 2147} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HG1 )) 5.700 4.100 0.300 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.19840E-03 ppm1 3.874 ppm2 0.860 CV 1 OR { 2147} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 11 and name HD2%) OR { 2147} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 8 and name HG1%) OR { 2147} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 11 and name HD1%) ASSI { 2148} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 14 and name HD1%) 4.700 2.800 1.300 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.19522E-03 ppm1 3.883 ppm2 0.718 CV 1 OR { 2148} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HG2 )) OR { 2148} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 26 and name HG1%) ASSI { 2149} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 53 and name HB2 )) 4.800 2.800 1.200 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.33903E-03 ppm1 4.063 ppm2 1.061 CV 1 OR { 2149} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 14 and name HG12)) OR { 2149} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 8 and name HG2%) OR { 2149} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 14 and name HG2%) ASSI { 2150} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 11 and name HB1 )) 5.400 3.700 0.600 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.17735E-03 ppm1 4.055 ppm2 2.115 CV 1 OR { 2150} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 14 and name HB )) ASSI { 2152} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HD2 )) 4.400 2.500 1.600 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.35910E-03 ppm1 3.880 ppm2 2.711 CV 1 OR { 2152} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 54 and name HB2 )) ASSI { 2155} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 11 and name HB1 )) 5.400 3.700 0.600 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.20952E-03 ppm1 3.873 ppm2 2.103 CV 1 OR { 2155} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 14 and name HB )) ASSI { 2158} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 11 and name HG )) 4.900 3.000 1.100 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.46217E-03 ppm1 3.867 ppm2 1.993 CV 1 OR { 2158} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 14 and name HG11)) OR { 2158} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 8 and name HB )) OR { 2158} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 23 and name HB )) ASSI { 2159} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 11 and name HG )) 4.700 2.800 1.300 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.51861E-03 ppm1 4.056 ppm2 2.009 CV 1 OR { 2159} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 8 and name HB )) OR { 2159} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 14 and name HG11)) ASSI { 2162} (( segid " " and resid 11 and name HA )) ( segid " " and resid 7 and name HG2%) 4.400 2.400 1.600 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.50818E-03 ppm1 4.258 ppm2 0.596 CV 1 OR { 2162} (( segid " " and resid 11 and name HA )) ( segid " " and resid 40 and name H8% ) OR { 2162} (( segid " " and resid 11 and name HA )) ( segid " " and resid 76 and name HD1%) OR { 2162} (( segid " " and resid 11 and name HA )) ( segid " " and resid 36 and name HD1%) ASSI { 2165} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 46 and name HG1%) 4.400 2.400 1.600 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.77205E-03 ppm1 1.290 ppm2 0.667 CV 1 OR { 2165} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 40 and name H8% ) OR { 2165} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 76 and name HD1%) OR { 2165} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 69 and name HG2%) OR { 2165} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 36 and name HD1%) ASSI { 2168} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 12 and name HB% ) 4.100 2.100 1.900 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.78541E-03 ppm1 2.108 ppm2 1.647 CV 1 OR { 2168} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 72 and name HB% ) ASSI { 2169} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 7 and name HG2%) 2.700 0.900 0.900 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.40848E-02 ppm1 0.859 ppm2 0.568 CV 1 OR { 2169} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 76 and name HG2%) OR { 2169} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 7 and name HD1%) OR { 2169} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 7 and name HG2%) OR { 2169} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 76 and name HG2%) OR { 2169} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 7 and name HD1%) ASSI { 2176} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 76 and name HN )) 6.000 5.400 0.000 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.69473E-04 ppm1 0.861 ppm2 8.512 CV 1 OR { 2176} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 77 and name HN )) OR { 2176} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 76 and name HN )) OR { 2176} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 68 and name HN )) OR { 2176} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 77 and name HN )) ASSI { 2183} (( segid " " and resid 11 and name HG )) (( segid " " and resid 10 and name HA1 )) 4.800 2.900 1.200 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.38370E-03 ppm1 1.985 ppm2 4.040 CV 1 OR { 2183} (( segid " " and resid 11 and name HG )) (( segid " " and resid 12 and name HA )) OR { 2183} (( segid " " and resid 11 and name HG )) (( segid " " and resid 32 and name HA )) ASSI { 2184} (( segid " " and resid 11 and name HG )) ( segid " " and resid 40 and name H8% ) 3.800 1.800 1.800 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.65196E-03 ppm1 1.992 ppm2 0.646 CV 1 OR { 2184} (( segid " " and resid 11 and name HG )) ( segid " " and resid 46 and name HG1%) OR { 2184} (( segid " " and resid 11 and name HG )) ( segid " " and resid 76 and name HD1%) OR { 2184} (( segid " " and resid 11 and name HG )) ( segid " " and resid 36 and name HD1%) OR { 2184} (( segid " " and resid 11 and name HG )) ( segid " " and resid 69 and name HG2%) ASSI { 2185} (( segid " " and resid 11 and name HG )) ( segid " " and resid 26 and name HG1%) 4.300 2.300 1.700 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 1.990 ppm2 0.759 CV 1 OR { 2185} (( segid " " and resid 11 and name HG )) ( segid " " and resid 14 and name HD1%) OR { 2185} (( segid " " and resid 11 and name HG )) (( segid " " and resid 40 and name H6B )) OR { 2185} (( segid " " and resid 11 and name HG )) (( segid " " and resid 40 and name H6A )) ASSI { 2190} (( segid " " and resid 12 and name HA )) ( segid " " and resid 46 and name HG1%) 5.400 3.600 0.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.30856E-03 ppm1 4.055 ppm2 0.628 CV 1 OR { 2190} (( segid " " and resid 12 and name HA )) ( segid " " and resid 36 and name HD1%) ASSI { 2191} (( segid " " and resid 12 and name HA )) (( segid " " and resid 23 and name HB )) 4.600 2.600 1.400 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.64319E-03 ppm1 4.059 ppm2 2.019 CV 1 OR { 2191} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HG )) OR { 2191} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HG11)) OR { 2191} (( segid " " and resid 12 and name HA )) (( segid " " and resid 30 and name HB1 )) ASSI { 2192} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB1 )) 3.900 1.900 1.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.40764E-03 ppm1 4.059 ppm2 2.120 CV 1 OR { 2192} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HB )) ASSI { 2193} (( segid " " and resid 12 and name HA )) (( segid " " and resid 16 and name HB2 )) 4.700 2.700 1.300 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.17312E-03 ppm1 4.068 ppm2 2.734 CV 1 OR { 2193} (( segid " " and resid 12 and name HA )) (( segid " " and resid 25 and name HB1 )) ASSI { 2194} (( segid " " and resid 12 and name HA )) (( segid " " and resid 23 and name HA )) 4.500 2.500 1.500 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.44822E-03 ppm1 4.054 ppm2 3.600 CV 1 OR { 2194} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HA )) ASSI { 2201} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 8 and name HA )) 5.000 3.200 1.000 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.26098E-03 ppm1 1.684 ppm2 3.390 CV 1 OR { 2201} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 69 and name HA )) ASSI { 2202} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 16 and name HB1 )) 5.600 4.000 0.400 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.20286E-03 ppm1 1.686 ppm2 3.066 CV 1 OR { 2202} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 27 and name HE1 )) OR { 2202} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 27 and name HE2 )) ASSI { 2204} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HB1 )) 4.200 2.200 1.800 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.65259E-03 ppm1 1.687 ppm2 2.117 CV 1 OR { 2204} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 14 and name HB )) ASSI { 2205} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 24 and name HB2 )) 4.500 2.600 1.500 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.71605E-03 ppm1 1.687 ppm2 1.970 CV 1 OR { 2205} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 24 and name HB1 )) OR { 2205} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HG )) OR { 2205} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 22 and name HG2 )) ASSI { 2208} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HB2 )) 5.800 4.300 0.200 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.14652E-03 ppm1 1.685 ppm2 1.321 CV 1 OR { 2208} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 27 and name HG1 )) OR { 2208} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 27 and name HG2 )) OR { 2208} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 30 and name HB2 )) OR { 2208} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 21 and name HG11)) ASSI { 2209} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 36 and name HD1%) 5.200 3.400 0.800 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.40140E-03 ppm1 1.678 ppm2 0.625 CV 1 OR { 2209} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 46 and name HG1%) OR { 2209} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 69 and name HG2%) ASSI { 2214} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HN )) 4.500 2.600 1.500 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.29353E-03 ppm1 3.948 ppm2 8.795 CV 1 OR { 2214} (( segid " " and resid 17 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 2216} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HD22)) 5.500 3.800 0.500 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.23270E-03 ppm1 3.946 ppm2 8.071 CV 1 OR { 2216} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HD22)) ASSI { 2223} (( segid " " and resid 14 and name HA )) (( segid " " and resid 18 and name HG12)) 4.800 2.800 1.200 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.23480E-03 ppm1 3.830 ppm2 1.316 CV 1 OR { 2223} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 2237} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HN )) 3.800 1.800 1.800 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.34886E-03 ppm1 1.530 ppm2 8.122 CV 1 OR { 2237} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 54 and name HN )) OR { 2237} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 54 and name HN )) ASSI { 2238} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 17 and name HN )) 4.100 2.100 1.900 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.26355E-03 ppm1 1.527 ppm2 8.431 CV 1 OR { 2238} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 19 and name HN )) OR { 2238} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 7 and name HN )) OR { 2238} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 8 and name HN )) OR { 2238} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 7 and name HN )) ASSI { 2239} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 54 and name HE% ) 6.000 4.500 0.000 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.12152E-03 ppm1 1.072 ppm2 7.137 CV 1 OR { 2239} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 32 and name HD% ) ASSI { 2241} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HB1 )) 4.800 2.900 1.200 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.33634E-03 ppm1 0.740 ppm2 2.305 CV 1 OR { 2241} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HG2 )) OR { 2241} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 17 and name HG2 )) ASSI { 2242} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HB2 )) 3.300 1.400 1.400 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.49436E-03 ppm1 0.735 ppm2 2.250 CV 1 OR { 2242} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 17 and name HG2 )) ASSI { 2243} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HB2 )) 4.900 3.100 1.100 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.34899E-03 ppm1 0.739 ppm2 1.311 CV 1 OR { 2243} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 18 and name HG12)) ASSI { 2247} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 10 and name HA1 )) 4.500 2.500 1.500 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.30680E-03 ppm1 0.735 ppm2 4.064 CV 1 OR { 2247} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 12 and name HA )) ASSI { 2248} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HN )) 4.500 2.500 1.500 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.53519E-03 ppm1 0.740 ppm2 7.931 CV 1 OR { 2248} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 49 and name HN )) ASSI { 2251} (( segid " " and resid 15 and name HA )) (( segid " " and resid 20 and name HN )) 4.600 2.600 1.400 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.25976E-03 ppm1 3.608 ppm2 7.840 CV 1 OR { 2251} (( segid " " and resid 15 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 2255} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HA )) 5.100 3.300 0.900 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.30716E-03 ppm1 3.605 ppm2 3.944 CV 1 OR { 2255} (( segid " " and resid 15 and name HA )) (( segid " " and resid 43 and name HA )) ASSI { 2256} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HB )) 4.500 2.500 1.500 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.35620E-03 ppm1 3.604 ppm2 2.121 CV 1 OR { 2256} (( segid " " and resid 15 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 2256} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HB2 )) OR { 2256} (( segid " " and resid 15 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 2257} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB )) 2.700 0.900 0.900 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.30355E-02 ppm1 3.601 ppm2 2.252 CV 1 OR { 2257} (( segid " " and resid 15 and name HA )) (( segid " " and resid 17 and name HG2 )) ASSI { 2258} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HG12)) 4.700 2.800 1.300 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.33753E-03 ppm1 3.603 ppm2 1.297 CV 1 OR { 2258} (( segid " " and resid 15 and name HA )) (( segid " " and resid 21 and name HG11)) OR { 2258} (( segid " " and resid 15 and name HA )) (( segid " " and resid 21 and name HG12)) ASSI { 2260} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 33 and name HG2%) 3.800 1.800 1.800 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.70400E-03 ppm1 2.250 ppm2 1.305 CV 1 OR { 2260} (( segid " " and resid 43 and name HG2 )) ( segid " " and resid 33 and name HG2%) OR { 2260} (( segid " " and resid 69 and name HB )) (( segid " " and resid 11 and name HB2 )) OR { 2260} (( segid " " and resid 15 and name HB )) (( segid " " and resid 21 and name HG11)) OR { 2260} (( segid " " and resid 15 and name HB )) (( segid " " and resid 21 and name HG12)) OR { 2260} (( segid " " and resid 15 and name HB )) (( segid " " and resid 11 and name HB2 )) OR { 2260} (( segid " " and resid 15 and name HB )) (( segid " " and resid 18 and name HG12)) ASSI { 2261} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 43 and name HA )) 4.800 2.900 1.200 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.38158E-03 ppm1 1.179 ppm2 3.948 CV 1 OR { 2261} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 38 and name HA )) OR { 2261} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 13 and name HA )) OR { 2261} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 50 and name HA )) OR { 2261} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HA )) OR { 2261} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 20 and name HA2 )) ASSI { 2262} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 19 and name HN )) 5.500 3.800 0.500 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.15255E-03 ppm1 1.176 ppm2 8.440 CV 1 OR { 2262} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 17 and name HN )) ASSI { 2264} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 32 and name HZ )) 4.300 2.300 1.700 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.77002E-03 ppm1 1.177 ppm2 6.873 CV 1 OR { 2264} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HD21)) ASSI { 2267} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 46 and name HA )) 5.200 3.400 0.800 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.30510E-03 ppm1 1.183 ppm2 3.409 CV 1 OR { 2267} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 8 and name HA )) ASSI { 2268} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HB1 )) 5.400 3.700 0.600 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.31646E-03 ppm1 1.177 ppm2 3.099 CV 1 OR { 2268} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 32 and name HB2 )) ASSI { 2269} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HG )) 5.100 3.300 0.900 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.30606E-03 ppm1 1.181 ppm2 2.007 CV 1 OR { 2269} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HG11)) OR { 2269} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 30 and name HB1 )) ASSI { 2270} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 26 and name HB )) 4.200 2.200 1.800 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.57729E-03 ppm1 1.178 ppm2 2.355 CV 1 OR { 2270} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 36 and name HB1 )) ASSI { 2271} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HB )) 4.200 2.200 1.800 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.10418E-02 ppm1 1.177 ppm2 1.674 CV 1 OR { 2271} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 12 and name HB% ) OR { 2271} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HG11)) ASSI { 2272} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 21 and name HB )) 3.500 1.500 1.500 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.32979E-02 ppm1 1.177 ppm2 1.603 CV 1 OR { 2272} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HB )) OR { 2272} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 18 and name HG11)) OR { 2272} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 36 and name HB2 )) ASSI { 2280} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 26 and name HN )) 4.900 3.100 1.100 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.37143E-03 ppm1 0.999 ppm2 7.497 CV 1 OR { 2280} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 36 and name HN )) ASSI { 2281} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HD21)) 5.200 3.400 0.800 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.99233E-04 ppm1 1.002 ppm2 6.868 CV 1 OR { 2281} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 32 and name HZ )) ASSI { 2284} (( segid " " and resid 18 and name HA )) (( segid " " and resid 46 and name HN )) 5.900 4.400 0.100 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.28138E-03 ppm1 3.933 ppm2 8.118 CV 1 OR { 2284} (( segid " " and resid 38 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 2285} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB2 )) 5.800 4.200 0.200 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.80304E-04 ppm1 3.929 ppm2 2.143 CV 1 OR { 2285} (( segid " " and resid 18 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 2286} (( segid " " and resid 18 and name HA )) (( segid " " and resid 45 and name HB1 )) 6.000 5.200 0.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.66342E-04 ppm1 3.930 ppm2 2.260 CV 1 OR { 2286} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HG2 )) OR { 2286} (( segid " " and resid 38 and name HA )) (( segid " " and resid 36 and name HB1 )) OR { 2286} (( segid " " and resid 18 and name HA )) (( segid " " and resid 45 and name HG2 )) OR { 2286} (( segid " " and resid 38 and name HA )) (( segid " " and resid 43 and name HG2 )) OR { 2286} (( segid " " and resid 38 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 2286} (( segid " " and resid 38 and name HA )) (( segid " " and resid 46 and name HB )) OR { 2286} (( segid " " and resid 18 and name HA )) (( segid " " and resid 46 and name HB )) ASSI { 2289} (( segid " " and resid 18 and name HA )) (( segid " " and resid 15 and name HA )) 4.700 2.800 1.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.40502E-03 ppm1 3.932 ppm2 3.591 CV 1 OR { 2289} (( segid " " and resid 38 and name HA )) (( segid " " and resid 42 and name HB2 )) OR { 2289} (( segid " " and resid 38 and name HA )) (( segid " " and resid 15 and name HA )) OR { 2289} (( segid " " and resid 18 and name HA )) (( segid " " and resid 42 and name HB2 )) ASSI { 2290} (( segid " " and resid 21 and name HB )) (( segid " " and resid 20 and name HN )) 5.100 3.300 0.900 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.31328E-03 ppm1 1.625 ppm2 7.841 CV 1 OR { 2290} (( segid " " and resid 18 and name HB )) (( segid " " and resid 20 and name HN )) ASSI { 2291} (( segid " " and resid 18 and name HB )) (( segid " " and resid 46 and name HN )) 6.000 5.100 0.000 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.88058E-04 ppm1 1.636 ppm2 8.098 CV 1 OR { 2291} (( segid " " and resid 21 and name HB )) (( segid " " and resid 16 and name HD22)) ASSI { 2292} (( segid " " and resid 21 and name HB )) (( segid " " and resid 15 and name HB )) 4.600 2.600 1.400 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.43305E-03 ppm1 1.627 ppm2 2.272 CV 1 OR { 2292} (( segid " " and resid 21 and name HB )) (( segid " " and resid 36 and name HB1 )) OR { 2292} (( segid " " and resid 18 and name HB )) (( segid " " and resid 45 and name HB1 )) OR { 2292} (( segid " " and resid 18 and name HB )) (( segid " " and resid 17 and name HG2 )) OR { 2292} (( segid " " and resid 18 and name HB )) (( segid " " and resid 46 and name HB )) OR { 2292} (( segid " " and resid 18 and name HB )) (( segid " " and resid 15 and name HB )) ASSI { 2293} (( segid " " and resid 18 and name HB )) (( segid " " and resid 45 and name HB2 )) 5.100 3.300 0.900 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.27626E-03 ppm1 1.622 ppm2 2.135 CV 1 OR { 2293} (( segid " " and resid 18 and name HB )) (( segid " " and resid 17 and name HB2 )) OR { 2293} (( segid " " and resid 18 and name HB )) (( segid " " and resid 14 and name HB )) OR { 2293} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HG1 )) ASSI { 2296} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 45 and name HB1 )) 5.200 3.400 0.800 peak 2296 spectrum 1 weight 0.10000E+01 volume 0.21622E-03 ppm1 1.648 ppm2 2.274 CV 1 OR { 2296} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 17 and name HG2 )) OR { 2296} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 46 and name HB )) OR { 2296} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 45 and name HG2 )) ASSI { 2297} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 17 and name HG2 )) 4.600 2.700 1.400 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.42328E-03 ppm1 1.304 ppm2 2.274 CV 1 OR { 2297} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 45 and name HB1 )) OR { 2297} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 46 and name HB )) OR { 2297} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 45 and name HG2 )) ASSI { 2298} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HB1 )) 3.300 1.400 1.400 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.33347E-02 ppm1 0.948 ppm2 2.290 CV 1 OR { 2298} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 45 and name HG2 )) OR { 2298} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 46 and name HB )) ASSI { 2303} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 19 and name HN )) 5.400 3.700 0.600 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.29204E-03 ppm1 0.780 ppm2 8.442 CV 1 OR { 2303} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 17 and name HN )) ASSI { 2304} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 50 and name HN )) 5.000 3.100 1.000 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.27056E-03 ppm1 0.786 ppm2 8.803 CV 1 OR { 2304} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 15 and name HN )) ASSI { 2307} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 39 and name HN )) 4.500 2.600 1.500 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.43012E-03 ppm1 1.542 ppm2 8.275 CV 1 OR { 2307} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 43 and name HN )) ASSI { 2308} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HA1 )) 4.900 3.000 1.100 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.37958E-03 ppm1 1.540 ppm2 4.065 CV 1 OR { 2308} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 22 and name HD1 )) OR { 2308} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 12 and name HA )) ASSI { 2311} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 36 and name HB1 )) 5.900 4.300 0.100 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.10893E-03 ppm1 1.538 ppm2 2.271 CV 1 OR { 2311} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 15 and name HB )) OR { 2311} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 46 and name HB )) OR { 2311} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 45 and name HB1 )) OR { 2311} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 43 and name HG1 )) OR { 2311} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 43 and name HG2 )) ASSI { 2316} (( segid " " and resid 38 and name HB )) ( segid " " and resid 32 and name HD% ) 4.100 2.100 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.46401E-03 ppm1 1.898 ppm2 7.168 CV 1 OR { 2316} (( segid " " and resid 63 and name HB )) ( segid " " and resid 32 and name HD% ) ASSI { 2318} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HB1 )) 4.200 2.200 1.800 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.68739E-03 ppm1 1.894 ppm2 3.082 CV 1 OR { 2318} (( segid " " and resid 38 and name HB )) (( segid " " and resid 32 and name HB2 )) OR { 2318} (( segid " " and resid 38 and name HB )) (( segid " " and resid 37 and name HB1 )) OR { 2318} (( segid " " and resid 63 and name HB )) (( segid " " and resid 40 and name H42A)) OR { 2318} (( segid " " and resid 63 and name HB )) (( segid " " and resid 75 and name HB1 )) OR { 2318} (( segid " " and resid 63 and name HB )) (( segid " " and resid 65 and name HB1 )) ASSI { 2319} (( segid " " and resid 38 and name HB )) ( segid " " and resid 19 and name HB% ) 5.100 3.300 0.900 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.24691E-03 ppm1 1.896 ppm2 1.556 CV 1 OR { 2319} (( segid " " and resid 38 and name HB )) (( segid " " and resid 36 and name HB2 )) OR { 2319} (( segid " " and resid 63 and name HB )) (( segid " " and resid 58 and name HG11)) OR { 2319} (( segid " " and resid 63 and name HB )) (( segid " " and resid 40 and name H4B )) ASSI { 2320} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.19259E-02 ppm1 0.936 ppm2 3.625 CV 1 OR { 2320} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 15 and name HA )) OR { 2320} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 42 and name HB2 )) OR { 2320} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 44 and name HA )) ASSI { 2322} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 42 and name HA )) 3.900 1.900 1.900 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.71748E-03 ppm1 0.935 ppm2 4.304 CV 1 OR { 2322} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 41 and name HA )) OR { 2322} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 42 and name HA )) OR { 2322} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 41 and name HA )) ASSI { 2334} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HB2 )) 4.800 2.800 1.200 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.35148E-03 ppm1 1.293 ppm2 2.444 CV 1 OR { 2334} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HB1 )) OR { 2334} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 37 and name HB2 )) OR { 2334} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 37 and name HB1 )) OR { 2334} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H38B)) OR { 2334} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H38A)) ASSI { 2341} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 63 and name HG2%) 4.300 2.400 1.700 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.80595E-03 ppm1 2.238 ppm2 0.780 CV 1 OR { 2341} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H6B )) OR { 2341} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H6A )) ASSI { 2348} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HG )) 5.000 3.100 1.000 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.20792E-03 ppm1 0.522 ppm2 1.652 CV 1 OR { 2348} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 77 and name HB2 )) OR { 2348} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 72 and name HB% ) ASSI { 2350} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 51 and name HA )) 3.900 1.900 1.900 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.14929E-03 ppm1 0.528 ppm2 4.180 CV 1 OR { 2350} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 81 and name HA )) ASSI { 2351} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 73 and name HA )) 6.000 4.800 0.000 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.11104E-03 ppm1 0.519 ppm2 3.700 CV 1 OR { 2351} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 4 and name HA )) ASSI { 2353} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HN )) 5.700 4.100 0.300 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.12161E-03 ppm1 0.518 ppm2 7.838 CV 1 OR { 2353} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 56 and name HN )) ASSI { 2361} (( segid " " and resid 36 and name HG )) (( segid " " and resid 35 and name HB1 )) 4.300 2.300 1.700 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.42456E-03 ppm1 1.482 ppm2 3.037 CV 1 OR { 2361} (( segid " " and resid 36 and name HG )) (( segid " " and resid 30 and name HE1 )) ASSI { 2366} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HE1 )) 4.900 3.000 1.100 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.45106E-03 ppm1 0.621 ppm2 3.020 CV 1 OR { 2366} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 35 and name HB1 )) ASSI { 2371} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 25 and name HA )) 3.200 1.200 1.200 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.31437E-03 ppm1 0.778 ppm2 4.587 CV 1 OR { 2371} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 27 and name HA )) ASSI { 2392} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 40 and name HA )) 6.000 5.000 0.000 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.65515E-04 ppm1 3.622 ppm2 4.078 CV 1 OR { 2392} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HA )) ASSI { 2394} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 18 and name HD1%) 5.400 3.700 0.600 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.17471E-03 ppm1 3.622 ppm2 0.803 CV 1 OR { 2394} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 63 and name HG1%) ASSI { 2401} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 46 and name HG2%) 4.400 2.500 1.600 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.41370E-03 ppm1 1.817 ppm2 0.990 CV 1 OR { 2401} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 47 and name HG2%) OR { 2401} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 40 and name H5A )) OR { 2401} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 18 and name HG2%) OR { 2401} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 44 and name HG1%) ASSI { 2403} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.32533E-02 ppm1 2.236 ppm2 3.623 CV 1 OR { 2403} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HA )) OR { 2403} (( segid " " and resid 69 and name HB )) (( segid " " and resid 28 and name HA )) OR { 2403} (( segid " " and resid 15 and name HB )) (( segid " " and resid 23 and name HA )) ASSI { 2412} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H4B )) 4.400 2.500 1.600 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.28763E-03 ppm1 3.618 ppm2 1.563 CV 1 OR { 2412} (( segid " " and resid 23 and name HA )) (( segid " " and resid 21 and name HB )) OR { 2412} (( segid " " and resid 44 and name HA )) ( segid " " and resid 49 and name HB% ) OR { 2412} (( segid " " and resid 23 and name HA )) ( segid " " and resid 19 and name HB% ) OR { 2412} (( segid " " and resid 44 and name HA )) ( segid " " and resid 72 and name HB% ) OR { 2412} (( segid " " and resid 23 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 2413} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HB2 )) 4.800 2.800 1.200 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.23542E-03 ppm1 3.636 ppm2 1.792 CV 1 OR { 2413} (( segid " " and resid 44 and name HA )) (( segid " " and resid 43 and name HB2 )) OR { 2413} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H4A )) OR { 2413} (( segid " " and resid 44 and name HA )) (( segid " " and resid 64 and name HB1 )) OR { 2413} (( segid " " and resid 44 and name HA )) (( segid " " and resid 66 and name HG )) ASSI { 2414} (( segid " " and resid 44 and name HA )) ( segid " " and resid 63 and name HG1%) 4.200 2.200 1.800 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.60102E-03 ppm1 3.634 ppm2 0.775 CV 1 OR { 2414} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H5B )) OR { 2414} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H6A )) OR { 2414} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H6B )) OR { 2414} (( segid " " and resid 23 and name HA )) ( segid " " and resid 26 and name HG1%) ASSI { 2417} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG1 )) 6.000 4.800 0.000 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.87125E-04 ppm1 4.237 ppm2 2.425 CV 1 OR { 2417} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2419} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG2 )) 4.400 2.400 1.600 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.57698E-03 ppm1 4.248 ppm2 2.253 CV 1 OR { 2419} (( segid " " and resid 9 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 2419} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HG2 )) OR { 2419} (( segid " " and resid 9 and name HA )) (( segid " " and resid 15 and name HB )) ASSI { 2422} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 15 and name HA )) 4.600 2.600 1.400 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.71377E-04 ppm1 1.532 ppm2 3.628 CV 1 OR { 2422} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 44 and name HA )) OR { 2422} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 79 and name HB1 )) OR { 2422} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 73 and name HA )) OR { 2422} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 73 and name HA )) ASSI { 2423} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HG1 )) 4.500 2.500 1.500 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.34109E-03 ppm1 1.526 ppm2 2.442 CV 1 OR { 2423} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB1 )) OR { 2423} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 6 and name HB1 )) OR { 2423} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 6 and name HG1 )) ASSI { 2425} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 17 and name HG2 )) 4.600 2.600 1.400 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.17821E-03 ppm1 1.527 ppm2 2.241 CV 1 OR { 2425} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HG2 )) OR { 2425} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HB )) ASSI { 2427} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name HA )) 2.800 2.800 3.200 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.11021E-02 ppm1 1.418 ppm2 4.111 CV 1 OR { 2427} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name HB2 )) OR { 2427} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 45 and name HA )) OR { 2427} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 72 and name HA )) ASSI { 2431} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 40 and name H8% ) 3.500 1.500 1.500 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.22872E-02 ppm1 1.421 ppm2 0.656 CV 1 OR { 2431} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 46 and name HG1%) OR { 2431} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 66 and name HD2%) OR { 2431} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 58 and name HD1%) ASSI { 2432} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 63 and name HG1%) 2.800 1.000 1.000 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.22377E-02 ppm1 1.426 ppm2 0.811 CV 1 OR { 2432} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 63 and name HG2%) OR { 2432} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H5B )) ASSI { 2434} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 47 and name HG2%) 3.100 1.200 1.200 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 1.424 ppm2 1.006 CV 1 OR { 2434} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 44 and name HG1%) OR { 2434} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H5A )) OR { 2434} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 46 and name HG2%) ASSI { 2435} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 47 and name HG2%) 3.000 1.100 1.100 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.29153E-02 ppm1 1.424 ppm2 0.971 CV 1 OR { 2435} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 44 and name HG1%) OR { 2435} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H5A )) OR { 2435} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 38 and name HG2%) OR { 2435} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 46 and name HG2%) OR { 2435} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 38 and name HG1%) ASSI { 2436} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 40 and name H30%) 3.100 1.200 1.200 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.26684E-02 ppm1 1.418 ppm2 0.913 CV 1 OR { 2436} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 66 and name HB2 )) OR { 2436} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 47 and name HG1%) OR { 2436} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 38 and name HG2%) OR { 2436} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 38 and name HG1%) ASSI { 2437} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 63 and name HG2%) 3.000 1.100 1.100 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.19420E-02 ppm1 1.424 ppm2 0.872 CV 1 OR { 2437} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 47 and name HG1%) ASSI { 2441} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 45 and name HN )) 4.100 2.200 1.900 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.64141E-03 ppm1 1.422 ppm2 6.986 CV 1 OR { 2441} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 32 and name HE% ) ASSI { 2446} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H36A)) 3.200 1.300 1.300 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.28462E-03 ppm1 1.419 ppm2 8.063 CV 1 OR { 2446} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 41 and name HN )) ASSI { 2453} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 32 and name HB1 )) 3.500 1.600 1.600 peak 2453 spectrum 1 weight 0.10000E+01 volume 0.12090E-02 ppm1 1.428 ppm2 3.167 CV 1 OR { 2453} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 63 and name HA )) ASSI { 2457} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HB2 )) 3.000 1.100 1.100 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.23179E-02 ppm1 1.427 ppm2 1.829 CV 1 OR { 2457} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 64 and name HB1 )) ASSI { 2458} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HB2 )) 3.300 1.400 1.400 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.15079E-02 ppm1 1.425 ppm2 1.780 CV 1 OR { 2458} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H4A )) OR { 2458} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 64 and name HB2 )) OR { 2458} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 64 and name HB1 )) ASSI { 2462} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HG1 )) 3.400 1.500 1.500 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.18292E-02 ppm1 4.413 ppm2 2.706 CV 1 OR { 2462} (( segid " " and resid 80 and name HA )) (( segid " " and resid 54 and name HB2 )) ASSI { 2484} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 38 and name HA )) 5.300 3.500 0.700 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.11688E-03 ppm1 1.018 ppm2 3.929 CV 1 OR { 2484} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 13 and name HA )) OR { 2484} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 43 and name HA )) ASSI { 2486} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 26 and name HA )) 5.300 3.500 0.700 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.15574E-03 ppm1 1.017 ppm2 3.580 CV 1 OR { 2486} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HA )) OR { 2486} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 15 and name HA )) ASSI { 2488} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 26 and name HN )) 5.200 3.400 0.800 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.25548E-03 ppm1 1.012 ppm2 7.493 CV 1 OR { 2488} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 36 and name HN )) ASSI { 2489} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 36 and name HB1 )) 4.400 2.500 1.600 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.37305E-03 ppm1 1.010 ppm2 2.330 CV 1 OR { 2489} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HB1 )) ASSI { 2493} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 18 and name HG12)) 3.900 1.900 1.900 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.23671E-03 ppm1 2.455 ppm2 1.326 CV 1 OR { 2493} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 18 and name HG12)) ASSI { 2494} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 18 and name HG12)) 4.500 2.500 1.500 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 2.280 ppm2 1.340 CV 1 OR { 2494} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 18 and name HG12)) OR { 2494} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 27 and name HG1 )) OR { 2494} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 27 and name HG2 )) OR { 2494} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 27 and name HG2 )) ASSI { 2495} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HN )) 3.700 1.800 1.800 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.10691E-02 ppm1 4.411 ppm2 7.724 CV 1 OR { 2495} (( segid " " and resid 80 and name HA )) (( segid " " and resid 79 and name HN )) OR { 2495} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HE22)) ASSI { 2504} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 46 and name HA )) 3.500 1.500 1.500 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.51084E-03 ppm1 1.501 ppm2 3.448 CV 1 OR { 2504} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HB1 )) ASSI { 2507} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HN )) 3.900 1.900 1.900 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.62936E-03 ppm1 3.896 ppm2 7.854 CV 1 OR { 2507} (( segid " " and resid 53 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 2508} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.300 1.300 1.300 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.12154E-02 ppm1 4.120 ppm2 7.819 CV 1 OR { 2508} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 2510} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 32 and name HD% ) 3.700 1.700 1.700 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.40792E-03 ppm1 1.609 ppm2 7.177 CV 1 OR { 2510} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 54 and name HE% ) ASSI { 2513} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 9 and name HN )) 5.400 3.600 0.600 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.26245E-03 ppm1 0.562 ppm2 7.711 CV 1 OR { 2513} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HN )) OR { 2513} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 80 and name HE22)) ASSI { 2524} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HD2 )) 5.100 3.200 0.900 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.26127E-03 ppm1 5.216 ppm2 1.786 CV 1 OR { 2524} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HD1 )) OR { 2524} (( segid " " and resid 68 and name HA )) (( segid " " and resid 28 and name HB1 )) ASSI { 2544} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 40 and name H4A )) 3.600 1.600 1.600 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.37199E-03 ppm1 0.459 ppm2 1.807 CV 1 OR { 2544} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 30 and name HG1 )) OR { 2544} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 7 and name HB )) OR { 2544} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 76 and name HB )) OR { 2544} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 74 and name HD1 )) ASSI { 2548} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 32 and name HN )) 4.800 2.800 1.200 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.16190E-03 ppm1 0.460 ppm2 8.221 CV 1 OR { 2548} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 72 and name HN )) ASSI { 2552} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HN )) 4.900 3.000 1.100 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.26793E-03 ppm1 0.659 ppm2 9.219 CV 1 OR { 2552} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 4 and name HN )) ASSI { 2558} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 80 and name HE22)) 4.600 2.600 1.400 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.25728E-03 ppm1 1.111 ppm2 7.744 CV 1 OR { 2558} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 79 and name HN )) ASSI { 2560} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HE21)) 3.500 1.500 1.500 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.34718E-03 ppm1 1.113 ppm2 6.831 CV 1 OR { 2560} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 75 and name HD% ) ASSI { 2561} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 28 and name HA )) 3.300 3.300 2.700 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.39934E-03 ppm1 1.107 ppm2 3.578 CV 1 OR { 2561} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 79 and name HB1 )) ASSI { 2568} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 7 and name HN )) 3.200 3.200 2.800 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.26327E-03 ppm1 0.628 ppm2 8.390 CV 1 OR { 2568} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 8 and name HN )) OR { 2568} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 10 and name HN )) ASSI { 2569} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 51 and name HA )) 3.000 3.000 3.000 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.44500E-03 ppm1 0.630 ppm2 4.199 CV 1 OR { 2569} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 73 and name HB )) OR { 2569} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 2570} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.38142E-03 ppm1 0.623 ppm2 4.098 CV 1 OR { 2570} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 10 and name HA1 )) ASSI { 2572} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 80 and name HB2 )) 3.800 1.800 1.800 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.10222E-03 ppm1 0.625 ppm2 2.113 CV 1 OR { 2572} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 11 and name HB1 )) OR { 2572} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 51 and name HB2 )) OR { 2572} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 6 and name HB2 )) OR { 2572} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 14 and name HB )) ASSI { 2574} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 73 and name HG2%) 3.500 1.600 1.600 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.16140E-03 ppm1 0.623 ppm2 1.119 CV 1 OR { 2574} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 53 and name HB2 )) ASSI { 2576} (( segid " " and resid 73 and name HA )) (( segid " " and resid 77 and name HG )) 4.000 2.000 2.000 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.44607E-03 ppm1 3.679 ppm2 1.634 CV 1 OR { 2576} (( segid " " and resid 73 and name HA )) ( segid " " and resid 72 and name HB% ) OR { 2576} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HD2 )) OR { 2576} (( segid " " and resid 73 and name HA )) (( segid " " and resid 77 and name HB2 )) ASSI { 2577} (( segid " " and resid 73 and name HA )) (( segid " " and resid 7 and name HG11)) 5.200 3.300 0.800 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.27211E-03 ppm1 3.677 ppm2 1.510 CV 1 OR { 2577} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HG1 )) OR { 2577} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HG2 )) ASSI { 2579} (( segid " " and resid 73 and name HB )) ( segid " " and resid 76 and name HD1%) 4.300 2.300 1.700 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.45659E-03 ppm1 4.183 ppm2 0.664 CV 1 OR { 2579} (( segid " " and resid 73 and name HB )) ( segid " " and resid 66 and name HD2%) OR { 2579} (( segid " " and resid 73 and name HB )) ( segid " " and resid 40 and name H8% ) OR { 2579} (( segid " " and resid 73 and name HB )) ( segid " " and resid 58 and name HD1%) ASSI { 2582} (( segid " " and resid 73 and name HB )) (( segid " " and resid 74 and name HD2 )) 4.700 2.700 1.300 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.28215E-03 ppm1 4.193 ppm2 1.629 CV 1 OR { 2582} (( segid " " and resid 73 and name HB )) ( segid " " and resid 72 and name HB% ) OR { 2582} (( segid " " and resid 73 and name HB )) (( segid " " and resid 77 and name HG )) ASSI { 2583} (( segid " " and resid 72 and name HA )) ( segid " " and resid 7 and name HD1%) 5.300 3.500 0.700 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.34930E-03 ppm1 4.110 ppm2 0.495 CV 1 OR { 2583} (( segid " " and resid 72 and name HA )) ( segid " " and resid 69 and name HG1%) OR { 2583} (( segid " " and resid 72 and name HA )) ( segid " " and resid 76 and name HG2%) ASSI { 2584} (( segid " " and resid 72 and name HA )) ( segid " " and resid 58 and name HG2%) 5.300 3.600 0.700 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.22202E-03 ppm1 4.113 ppm2 0.286 CV 1 OR { 2584} (( segid " " and resid 72 and name HA )) (( segid " " and resid 7 and name HG12)) ASSI { 2585} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) 4.600 2.700 1.400 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.36562E-03 ppm1 4.111 ppm2 8.535 CV 1 OR { 2585} (( segid " " and resid 72 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 2587} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 54 and name HA )) 6.000 5.800 0.000 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.10476E-03 ppm1 0.524 ppm2 4.855 CV 1 OR { 2587} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 2 and name HA )) ASSI { 2590} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 51 and name HG2 )) 5.800 4.100 0.200 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.14579E-03 ppm1 0.338 ppm2 2.321 CV 1 OR { 2590} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 47 and name HB )) ASSI { 2592} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 62 and name HN )) 5.200 3.400 0.800 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.16483E-03 ppm1 0.340 ppm2 7.476 CV 1 OR { 2592} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 54 and name HD% ) ASSI { 2601} (( segid " " and resid 48 and name HA )) ( segid " " and resid 58 and name HD1%) 5.200 3.400 0.800 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.18624E-03 ppm1 3.927 ppm2 0.644 CV 1 OR { 2601} (( segid " " and resid 48 and name HA )) ( segid " " and resid 40 and name H8% ) OR { 2601} (( segid " " and resid 48 and name HA )) ( segid " " and resid 46 and name HG1%) OR { 2601} (( segid " " and resid 48 and name HA )) ( segid " " and resid 76 and name HD1%) ASSI { 2607} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HA )) 3.300 1.300 1.300 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.23195E-02 ppm1 1.005 ppm2 4.061 CV 1 OR { 2607} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HA )) OR { 2607} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 12 and name HA )) OR { 2607} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 45 and name HA )) OR { 2607} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 24 and name HA )) OR { 2607} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 12 and name HA )) ASSI { 2608} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HG1 )) 3.700 1.700 1.700 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.14281E-02 ppm1 1.007 ppm2 2.448 CV 1 OR { 2608} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 51 and name HB1 )) OR { 2608} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 51 and name HB1 )) OR { 2608} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 52 and name HG1 )) OR { 2608} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 40 and name H38B)) OR { 2608} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 40 and name H38A)) ASSI { 2610} (( segid " " and resid 47 and name HA )) (( segid " " and resid 40 and name H4A )) 5.200 3.400 0.800 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.23205E-03 ppm1 3.327 ppm2 1.769 CV 1 OR { 2610} (( segid " " and resid 47 and name HA )) (( segid " " and resid 66 and name HG )) OR { 2610} (( segid " " and resid 47 and name HA )) (( segid " " and resid 76 and name HB )) ASSI { 2611} (( segid " " and resid 47 and name HA )) ( segid " " and resid 14 and name HG2%) 5.000 3.100 1.000 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.37421E-03 ppm1 3.327 ppm2 1.112 CV 1 OR { 2611} (( segid " " and resid 47 and name HA )) ( segid " " and resid 48 and name HG2%) OR { 2611} (( segid " " and resid 47 and name HA )) ( segid " " and resid 44 and name HG2%) ASSI { 2612} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HA )) 4.700 2.800 1.300 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.38023E-03 ppm1 3.327 ppm2 3.922 CV 1 OR { 2612} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HA )) ASSI { 2618} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HA )) 5.300 3.500 0.700 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.34290E-03 ppm1 3.423 ppm2 4.275 CV 1 OR { 2618} (( segid " " and resid 46 and name HA )) (( segid " " and resid 11 and name HA )) ASSI { 2625} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 11 and name HG )) 4.500 2.500 1.500 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.54202E-03 ppm1 0.674 ppm2 1.985 CV 1 OR { 2625} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HG11)) ASSI { 2626} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HN )) 3.200 1.200 1.200 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.13069E-02 ppm1 4.078 ppm2 7.795 CV 1 OR { 2626} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) OR { 2626} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 2632} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HD2 )) 4.900 3.100 1.100 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.29230E-03 ppm1 3.960 ppm2 2.738 CV 1 OR { 2632} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HB2 )) ASSI { 2639} (( segid " " and resid 61 and name HA )) (( segid " " and resid 65 and name HD22)) 4.600 2.600 1.400 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.23876E-03 ppm1 4.324 ppm2 7.727 CV 1 OR { 2639} (( segid " " and resid 61 and name HA )) (( segid " " and resid 66 and name HN )) ASSI { 2642} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 72 and name HB% ) 2.900 1.000 1.000 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.20708E-02 ppm1 6.985 ppm2 1.601 CV 1 OR { 2642} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H4B )) ASSI { 2643} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 36 and name HB2 )) 4.100 2.100 1.900 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.57907E-03 ppm1 7.177 ppm2 1.581 CV 1 OR { 2643} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H4B )) OR { 2643} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 72 and name HB% ) ASSI { 2644} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 36 and name HG )) 4.600 2.700 1.400 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.43570E-03 ppm1 7.176 ppm2 1.437 CV 1 OR { 2644} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 67 and name HG2 )) OR { 2644} ( segid " " and resid 32 and name HD% ) ( segid " " and resid 43 and name HE% ) ASSI { 2646} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 72 and name HB% ) 3.600 1.700 1.700 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.60945E-03 ppm1 6.867 ppm2 1.605 CV 1 OR { 2646} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H4B )) ASSI { 2650} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H5A )) 3.600 1.700 1.700 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.82577E-03 ppm1 6.986 ppm2 1.000 CV 1 OR { 2650} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H7A )) OR { 2650} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H7B )) OR { 2650} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 46 and name HG2%) OR { 2650} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 15 and name HG1%) OR { 2650} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 47 and name HG2%) ASSI { 2651} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 11 and name HD1%) 3.200 1.300 1.300 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.10114E-02 ppm1 6.983 ppm2 0.888 CV 1 OR { 2651} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 11 and name HD2%) OR { 2651} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 66 and name HB2 )) ASSI { 2652} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H6B )) 3.800 1.800 1.800 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.63685E-03 ppm1 6.988 ppm2 0.761 CV 1 OR { 2652} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H6A )) OR { 2652} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 26 and name HG1%) OR { 2652} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H5B )) ASSI { 2653} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 36 and name HD1%) 3.600 1.600 1.600 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.98010E-03 ppm1 6.984 ppm2 0.643 CV 1 OR { 2653} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 46 and name HG1%) OR { 2653} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 40 and name H8% ) OR { 2653} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 69 and name HG2%) OR { 2653} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 66 and name HD2%) ASSI { 2659} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 40 and name H8% ) 4.400 2.400 1.600 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.33906E-03 ppm1 6.868 ppm2 0.625 CV 1 OR { 2659} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 36 and name HD1%) OR { 2659} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 69 and name HG2%) OR { 2659} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 76 and name HD1%) OR { 2659} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 46 and name HG1%) ASSI { 2664} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 4 and name HE22)) 3.400 3.400 2.600 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.39512E-03 ppm1 1.518 ppm2 7.551 CV 1 OR { 2664} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 63 and name HN )) ASSI { 2668} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 7 and name HN )) 3.300 1.300 1.300 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.25984E-03 ppm1 0.824 ppm2 8.378 CV 1 OR { 2668} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 7 and name HN )) OR { 2668} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 8 and name HN )) OR { 2668} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 8 and name HN )) ASSI { 2669} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HB1 )) 4.600 2.600 1.400 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.33819E-03 ppm1 4.222 ppm2 1.965 CV 1 OR { 2669} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HG11)) ASSI { 2677} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H41A)) 5.900 4.400 0.100 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.52648E-04 ppm1 3.615 ppm2 8.217 CV 1 OR { 2677} (( segid " " and resid 23 and name HA )) (( segid " " and resid 14 and name HN )) ASSI { 2678} (( segid " " and resid 23 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.600 1.600 1.600 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.40143E-03 ppm1 3.621 ppm2 2.726 CV 1 OR { 2678} (( segid " " and resid 23 and name HA )) (( segid " " and resid 25 and name HB1 )) ASSI { 2686} (( segid " " and resid 77 and name HA )) (( segid " " and resid 75 and name HN )) 5.800 4.200 0.200 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.11633E-03 ppm1 3.893 ppm2 7.960 CV 1 OR { 2686} (( segid " " and resid 77 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 2691} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 79 and name HN )) 5.200 3.400 0.800 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.23438E-03 ppm1 1.694 ppm2 7.712 CV 1 OR { 2691} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 80 and name HE22)) ASSI { 2699} (( segid " " and resid 51 and name HA )) (( segid " " and resid 58 and name HB )) 4.900 3.000 1.100 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.44444E-03 ppm1 4.181 ppm2 1.695 CV 1 OR { 2699} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HB2 )) OR { 2699} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HB1 )) OR { 2699} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HD1 )) ASSI { 2710} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HN )) 4.100 2.100 1.900 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.86235E-03 ppm1 0.973 ppm2 7.727 CV 1 OR { 2710} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 52 and name HN )) OR { 2710} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 25 and name HN )) OR { 2710} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HE22)) OR { 2710} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 25 and name HN )) ASSI { 2711} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HE21)) 3.900 1.900 1.900 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.67678E-03 ppm1 0.972 ppm2 7.680 CV 1 OR { 2711} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 79 and name HN )) OR { 2711} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HE22)) ASSI { 2730} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 77 and name HG )) 3.300 3.300 2.700 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.25987E-03 ppm1 2.581 ppm2 1.621 CV 1 OR { 2730} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 74 and name HD2 )) ASSI { 2731} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 77 and name HB1 )) 4.900 3.000 1.100 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.30650E-03 ppm1 2.709 ppm2 1.783 CV 1 OR { 2731} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 76 and name HB )) ASSI { 2733} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 78 and name HN )) 4.500 2.500 1.500 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.47544E-03 ppm1 2.593 ppm2 8.298 CV 1 OR { 2733} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 81 and name HN )) ASSI { 2740} (( segid " " and resid 58 and name HB )) ( segid " " and resid 47 and name HG1%) 2.700 0.900 0.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.31780E-02 ppm1 1.724 ppm2 0.878 CV 1 OR { 2740} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG12)) OR { 2740} (( segid " " and resid 58 and name HB )) (( segid " " and resid 76 and name HG12)) ASSI { 2741} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HG12)) 3.500 1.500 1.500 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.95918E-03 ppm1 1.721 ppm2 0.784 CV 1 OR { 2741} (( segid " " and resid 58 and name HB )) ( segid " " and resid 63 and name HG2%) ASSI { 2742} (( segid " " and resid 58 and name HB )) ( segid " " and resid 47 and name HG2%) 3.900 1.900 1.900 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.10476E-02 ppm1 1.718 ppm2 0.983 CV 1 OR { 2742} (( segid " " and resid 58 and name HB )) ( segid " " and resid 56 and name HG2%) OR { 2742} (( segid " " and resid 58 and name HB )) (( segid " " and resid 40 and name H7B )) OR { 2742} (( segid " " and resid 58 and name HB )) (( segid " " and resid 40 and name H7A )) ASSI { 2751} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 51 and name HA )) 3.700 1.700 1.700 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.51820E-03 ppm1 0.641 ppm2 4.196 CV 1 OR { 2751} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 75 and name HA )) OR { 2751} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 60 and name HA )) ASSI { 2755} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 66 and name HG )) 4.700 2.700 1.300 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.40636E-03 ppm1 0.636 ppm2 1.828 CV 1 OR { 2755} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 7 and name HB )) ASSI { 2756} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 51 and name HN )) 3.500 1.600 1.600 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.23691E-03 ppm1 0.639 ppm2 8.837 CV 1 OR { 2756} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 50 and name HN )) OR { 2756} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 2 and name HN )) ASSI { 2759} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 61 and name HB2 )) 5.100 3.200 0.900 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.26417E-03 ppm1 3.811 ppm2 2.503 CV 1 OR { 2759} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 79 and name HB2 )) OR { 2759} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 79 and name HB2 )) OR { 2759} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 61 and name HB2 )) ASSI { 2767} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 57 and name HB1 )) 5.600 3.900 0.400 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.96049E-04 ppm1 2.387 ppm2 1.654 CV 1 OR { 2767} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 57 and name HB2 )) OR { 2767} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 64 and name HD1 )) OR { 2767} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 64 and name HD2 )) ASSI { 2774} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 4.600 2.700 1.400 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.22986E-03 ppm1 2.645 ppm2 1.937 CV 1 OR { 2774} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 22 and name HG2 )) OR { 2774} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 22 and name HG2 )) ASSI { 2777} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HA )) 6.000 5.100 0.000 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.11569E-03 ppm1 3.211 ppm2 4.507 CV 1 OR { 2777} (( segid " " and resid 63 and name HA )) (( segid " " and resid 58 and name HA )) ASSI { 2780} (( segid " " and resid 63 and name HA )) ( segid " " and resid 72 and name HB% ) 6.000 4.600 0.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.18310E-03 ppm1 3.212 ppm2 1.598 CV 1 OR { 2780} (( segid " " and resid 63 and name HA )) (( segid " " and resid 40 and name H4B )) OR { 2780} (( segid " " and resid 63 and name HA )) (( segid " " and resid 58 and name HG11)) ASSI { 2782} (( segid " " and resid 63 and name HB )) ( segid " " and resid 43 and name HE% ) 5.100 3.200 0.900 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.32102E-03 ppm1 1.904 ppm2 1.401 CV 1 OR { 2782} (( segid " " and resid 38 and name HB )) ( segid " " and resid 43 and name HE% ) OR { 2782} (( segid " " and resid 63 and name HB )) (( segid " " and resid 64 and name HG1 )) OR { 2782} (( segid " " and resid 63 and name HB )) (( segid " " and resid 64 and name HG2 )) ASSI { 2785} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HB1 )) 4.800 2.800 1.200 peak 2785 spectrum 1 weight 0.10000E+01 volume 0.34090E-03 ppm1 0.829 ppm2 2.429 CV 1 OR { 2785} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HB2 )) OR { 2785} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H38B)) OR { 2785} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H38A)) ASSI { 2787} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H43B)) 6.000 4.600 0.000 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.59646E-04 ppm1 0.826 ppm2 2.951 CV 1 OR { 2787} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 71 and name HB2 )) OR { 2787} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HE2 )) ASSI { 2790} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H42B)) 3.800 1.800 1.800 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.24935E-03 ppm1 0.829 ppm2 3.317 CV 1 OR { 2790} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 47 and name HA )) ASSI { 2794} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H42A)) 5.500 3.800 0.500 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.19404E-03 ppm1 0.830 ppm2 3.110 CV 1 OR { 2794} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 75 and name HB1 )) OR { 2794} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 32 and name HB2 )) OR { 2794} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 75 and name HB2 )) ASSI { 2796} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 65 and name HB1 )) 6.000 6.000 0.000 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.35042E-04 ppm1 0.828 ppm2 3.002 CV 1 OR { 2796} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HE1 )) OR { 2796} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HE2 )) ASSI { 2806} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HG )) 4.000 2.000 2.000 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.33591E-03 ppm1 2.725 ppm2 1.813 CV 1 OR { 2806} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 76 and name HB )) ASSI { 2807} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 57 and name HB2 )) 5.400 3.700 0.600 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.11224E-03 ppm1 2.739 ppm2 1.692 CV 1 OR { 2807} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 58 and name HB )) OR { 2807} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 57 and name HD2 )) OR { 2807} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 57 and name HB1 )) OR { 2807} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 57 and name HD1 )) OR { 2807} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 77 and name HB2 )) ASSI { 2827} (( segid " " and resid 26 and name HB )) (( segid " " and resid 12 and name HN )) 3.900 1.900 1.900 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.39590E-03 ppm1 2.343 ppm2 8.891 CV 1 OR { 2827} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 12 and name HN )) ASSI { 4} (( segid " " and resid 2 and name HN )) ( segid " " and resid 7 and name HD1%) 4.800 2.900 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.31098E-03 ppm1 8.841 ppm2 0.526 CV 1 OR { 4} (( segid " " and resid 2 and name HN )) ( segid " " and resid 76 and name HG2%) ASSI { 18} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HN )) 3.900 1.900 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.66851E-03 ppm1 8.538 ppm2 7.693 CV 1 OR { 18} (( segid " " and resid 3 and name HN )) (( segid " " and resid 80 and name HE22)) ASSI { 19} (( segid " " and resid 3 and name HN )) (( segid " " and resid 7 and name HN )) 3.900 1.900 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.92107E-03 ppm1 8.541 ppm2 8.368 CV 1 OR { 19} (( segid " " and resid 3 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 28} (( segid " " and resid 4 and name HN )) (( segid " " and resid 7 and name HB )) 5.300 3.600 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.18788E-03 ppm1 9.228 ppm2 1.773 CV 1 OR { 28} (( segid " " and resid 4 and name HN )) (( segid " " and resid 74 and name HD1 )) OR { 28} (( segid " " and resid 4 and name HN )) (( segid " " and resid 77 and name HB1 )) OR { 28} (( segid " " and resid 4 and name HN )) (( segid " " and resid 28 and name HG )) OR { 28} (( segid " " and resid 4 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 29} (( segid " " and resid 4 and name HN )) (( segid " " and resid 7 and name HG11)) 5.200 3.300 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.18416E-03 ppm1 9.237 ppm2 1.551 CV 1 OR { 29} (( segid " " and resid 4 and name HN )) ( segid " " and resid 2 and name HB% ) ASSI { 31} (( segid " " and resid 4 and name HN )) ( segid " " and resid 28 and name HD2%) 6.000 4.400 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.17115E-03 ppm1 9.235 ppm2 0.917 CV 1 OR { 31} (( segid " " and resid 4 and name HN )) ( segid " " and resid 8 and name HG1%) ASSI { 47} (( segid " " and resid 5 and name HN )) ( segid " " and resid 77 and name HD1%) 5.300 3.600 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.23452E-03 ppm1 8.860 ppm2 0.829 CV 1 OR { 47} (( segid " " and resid 5 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 47} (( segid " " and resid 5 and name HN )) ( segid " " and resid 28 and name HD1%) ASSI { 55} (( segid " " and resid 5 and name HN )) (( segid " " and resid 7 and name HN )) 4.500 2.600 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.36291E-03 ppm1 8.865 ppm2 8.368 CV 1 OR { 55} (( segid " " and resid 5 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 73} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HB )) 4.600 2.700 1.400 peak 73 spectrum 1 weight 0.10000E+01 volume 0.53397E-03 ppm1 7.694 ppm2 1.797 CV 1 OR { 73} (( segid " " and resid 6 and name HN )) (( segid " " and resid 76 and name HB )) ASSI { 74} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG11)) 4.400 2.400 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.76939E-03 ppm1 7.691 ppm2 1.553 CV 1 OR { 74} (( segid " " and resid 6 and name HN )) ( segid " " and resid 2 and name HB% ) ASSI { 77} (( segid " " and resid 6 and name HN )) ( segid " " and resid 77 and name HD2%) 4.000 2.000 2.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10946E-02 ppm1 7.697 ppm2 0.872 CV 1 OR { 77} (( segid " " and resid 6 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 77} (( segid " " and resid 6 and name HN )) ( segid " " and resid 8 and name HG1%) OR { 77} (( segid " " and resid 6 and name HN )) ( segid " " and resid 28 and name HD2%) ASSI { 84} (( segid " " and resid 7 and name HN )) ( segid " " and resid 8 and name HG2%) 4.600 2.600 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.49698E-03 ppm1 8.393 ppm2 1.094 CV 1 OR { 84} (( segid " " and resid 7 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 86} (( segid " " and resid 7 and name HN )) ( segid " " and resid 8 and name HG1%) 5.800 4.200 0.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.24210E-03 ppm1 8.389 ppm2 0.916 CV 1 OR { 86} (( segid " " and resid 7 and name HN )) ( segid " " and resid 28 and name HD2%) OR { 86} (( segid " " and resid 7 and name HN )) (( segid " " and resid 76 and name HG12)) OR { 86} (( segid " " and resid 7 and name HN )) ( segid " " and resid 56 and name HG1%) ASSI { 87} (( segid " " and resid 7 and name HN )) ( segid " " and resid 77 and name HD2%) 5.000 3.100 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.25869E-03 ppm1 8.390 ppm2 0.825 CV 1 OR { 87} (( segid " " and resid 7 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 87} (( segid " " and resid 7 and name HN )) ( segid " " and resid 28 and name HD1%) OR { 87} (( segid " " and resid 7 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 90} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB )) 4.400 2.400 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.49192E-03 ppm1 8.395 ppm2 2.028 CV 1 OR { 90} (( segid " " and resid 7 and name HN )) (( segid " " and resid 4 and name HB2 )) OR { 90} (( segid " " and resid 7 and name HN )) (( segid " " and resid 76 and name HG11)) ASSI { 105} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HN )) 4.600 2.600 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.19663E-03 ppm1 8.386 ppm2 9.249 CV 1 OR { 105} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HN )) ASSI { 110} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HA )) 3.700 1.700 1.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.63008E-03 ppm1 8.388 ppm2 3.700 CV 1 OR { 110} (( segid " " and resid 8 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 113} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.600 0.900 0.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.40580E-02 ppm1 8.389 ppm2 3.937 CV 1 OR { 113} (( segid " " and resid 8 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 117} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HA )) 3.600 1.700 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.61825E-03 ppm1 7.730 ppm2 3.940 CV 1 OR { 117} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 120} (( segid " " and resid 9 and name HN )) (( segid " " and resid 4 and name HG2 )) 3.800 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.37758E-03 ppm1 7.730 ppm2 2.120 CV 1 OR { 120} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HB1 )) OR { 120} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 128} (( segid " " and resid 9 and name HN )) ( segid " " and resid 28 and name HD1%) 4.200 2.200 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13532E-03 ppm1 7.729 ppm2 0.803 CV 1 OR { 128} (( segid " " and resid 9 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 128} (( segid " " and resid 9 and name HN )) ( segid " " and resid 36 and name HD2%) OR { 128} (( segid " " and resid 9 and name HN )) (( segid " " and resid 40 and name H6B )) OR { 128} (( segid " " and resid 9 and name HN )) (( segid " " and resid 40 and name H5B )) ASSI { 132} (( segid " " and resid 8 and name HN )) ( segid " " and resid 28 and name HD1%) 5.000 3.200 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.57748E-03 ppm1 8.388 ppm2 0.804 CV 1 OR { 132} (( segid " " and resid 8 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 132} (( segid " " and resid 8 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 148} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB )) 5.000 3.100 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.36534E-03 ppm1 8.393 ppm2 2.003 CV 1 OR { 148} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HG )) ASSI { 150} (( segid " " and resid 10 and name HN )) ( segid " " and resid 14 and name HD1%) 6.000 4.900 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.99339E-04 ppm1 8.394 ppm2 0.732 CV 1 OR { 150} (( segid " " and resid 10 and name HN )) ( segid " " and resid 26 and name HG1%) OR { 150} (( segid " " and resid 10 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 157} (( segid " " and resid 11 and name HN )) (( segid " " and resid 14 and name HN )) 4.900 3.000 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.16628E-03 ppm1 9.241 ppm2 8.205 CV 1 OR { 157} (( segid " " and resid 11 and name HN )) (( segid " " and resid 53 and name HN )) ASSI { 160} (( segid " " and resid 11 and name HN )) (( segid " " and resid 54 and name HZ )) 3.600 1.600 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.78066E-03 ppm1 9.238 ppm2 7.462 CV 1 OR { 160} (( segid " " and resid 11 and name HN )) ( segid " " and resid 54 and name HD% ) OR { 160} (( segid " " and resid 11 and name HN )) (( segid " " and resid 26 and name HN )) ASSI { 161} (( segid " " and resid 11 and name HN )) ( segid " " and resid 54 and name HE% ) 4.200 2.200 1.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.50378E-03 ppm1 9.241 ppm2 7.132 CV 1 OR { 161} (( segid " " and resid 11 and name HN )) ( segid " " and resid 32 and name HD% ) ASSI { 167} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HG1%) 5.200 3.300 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.48821E-03 ppm1 9.241 ppm2 0.737 CV 1 OR { 167} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 168} (( segid " " and resid 11 and name HN )) ( segid " " and resid 46 and name HG1%) 5.200 3.400 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.25815E-03 ppm1 9.239 ppm2 0.645 CV 1 OR { 168} (( segid " " and resid 11 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 168} (( segid " " and resid 11 and name HN )) ( segid " " and resid 40 and name H8% ) OR { 168} (( segid " " and resid 11 and name HN )) (( segid " " and resid 53 and name HG2 )) OR { 168} (( segid " " and resid 11 and name HN )) ( segid " " and resid 69 and name HG2%) OR { 168} (( segid " " and resid 11 and name HN )) ( segid " " and resid 36 and name HD1%) ASSI { 210} (( segid " " and resid 12 and name HN )) ( segid " " and resid 26 and name HG1%) 3.900 1.900 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.88377E-03 ppm1 8.911 ppm2 0.738 CV 1 OR { 210} (( segid " " and resid 12 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 216} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.35273E-02 ppm1 7.946 ppm2 8.196 CV 1 OR { 216} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 226} (( segid " " and resid 13 and name HN )) ( segid " " and resid 23 and name HG1%) 4.300 2.300 1.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.63664E-03 ppm1 7.946 ppm2 0.983 CV 1 OR { 226} (( segid " " and resid 13 and name HN )) ( segid " " and resid 15 and name HG1%) OR { 226} (( segid " " and resid 13 and name HN )) ( segid " " and resid 23 and name HG2%) OR { 226} (( segid " " and resid 13 and name HN )) ( segid " " and resid 46 and name HG2%) ASSI { 227} (( segid " " and resid 13 and name HN )) ( segid " " and resid 26 and name HG2%) 5.200 3.400 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.32355E-03 ppm1 7.946 ppm2 0.897 CV 1 OR { 227} (( segid " " and resid 13 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 227} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG12)) OR { 227} (( segid " " and resid 13 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 228} (( segid " " and resid 13 and name HN )) ( segid " " and resid 14 and name HD1%) 4.900 3.000 1.100 peak 228 spectrum 1 weight 0.10000E+01 volume 0.33413E-03 ppm1 7.947 ppm2 0.732 CV 1 OR { 228} (( segid " " and resid 13 and name HN )) ( segid " " and resid 26 and name HG1%) ASSI { 231} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 4.100 2.100 1.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.48331E-03 ppm1 8.194 ppm2 4.069 CV 1 OR { 231} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HA1 )) ASSI { 241} (( segid " " and resid 14 and name HN )) ( segid " " and resid 49 and name HB% ) 5.400 3.700 0.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.34193E-03 ppm1 8.195 ppm2 1.520 CV 1 OR { 241} (( segid " " and resid 14 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 245} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG1%) 5.200 3.400 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.41972E-03 ppm1 8.194 ppm2 0.977 CV 1 OR { 245} (( segid " " and resid 14 and name HN )) ( segid " " and resid 46 and name HG2%) ASSI { 265} (( segid " " and resid 15 and name HN )) ( segid " " and resid 11 and name HD2%) 4.300 2.300 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.68152E-03 ppm1 8.797 ppm2 0.911 CV 1 OR { 265} (( segid " " and resid 15 and name HN )) ( segid " " and resid 26 and name HG2%) OR { 265} (( segid " " and resid 15 and name HN )) ( segid " " and resid 11 and name HD1%) OR { 265} (( segid " " and resid 15 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 280} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.300 1.400 1.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.99889E-03 ppm1 8.687 ppm2 3.603 CV 1 OR { 280} (( segid " " and resid 16 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 283} (( segid " " and resid 16 and name HN )) ( segid " " and resid 12 and name HB% ) 4.900 3.000 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.25723E-03 ppm1 8.690 ppm2 1.685 CV 1 OR { 283} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 304} (( segid " " and resid 17 and name HN )) ( segid " " and resid 14 and name HG2%) 3.000 1.200 1.200 peak 304 spectrum 1 weight 0.10000E+01 volume 0.54667E-02 ppm1 8.396 ppm2 1.043 CV 1 OR { 304} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG1%) OR { 304} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 320} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA1 )) 5.500 3.800 0.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.27927E-03 ppm1 8.465 ppm2 4.041 CV 1 OR { 320} (( segid " " and resid 19 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 341} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HA )) 5.700 4.100 0.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.15988E-03 ppm1 7.831 ppm2 4.317 CV 1 OR { 341} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 397} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.700 1.700 1.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 7.733 ppm2 2.333 CV 1 OR { 397} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG2 )) ASSI { 399} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HG1 )) 5.700 4.000 0.300 peak 399 spectrum 1 weight 0.10000E+01 volume 0.32436E-03 ppm1 7.732 ppm2 2.107 CV 1 OR { 399} (( segid " " and resid 25 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 405} (( segid " " and resid 25 and name HN )) ( segid " " and resid 36 and name HD2%) 5.100 3.200 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.28574E-03 ppm1 7.742 ppm2 0.749 CV 1 OR { 405} (( segid " " and resid 25 and name HN )) ( segid " " and resid 26 and name HG1%) OR { 405} (( segid " " and resid 48 and name HN )) ( segid " " and resid 18 and name HD1%) ASSI { 416} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HG1 )) 4.200 2.200 1.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.33232E-03 ppm1 7.487 ppm2 1.783 CV 1 OR { 416} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HD1 )) OR { 416} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HD2 )) ASSI { 418} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HG1 )) 3.800 1.800 1.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.52008E-03 ppm1 7.489 ppm2 1.343 CV 1 OR { 418} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HG2 )) OR { 418} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HB2 )) OR { 418} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI { 420} (( segid " " and resid 26 and name HN )) ( segid " " and resid 21 and name HG2%) 4.100 2.100 1.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.94186E-03 ppm1 7.490 ppm2 1.010 CV 1 OR { 420} (( segid " " and resid 26 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 436} (( segid " " and resid 27 and name HN )) ( segid " " and resid 69 and name HG2%) 4.000 2.000 2.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.44628E-03 ppm1 6.368 ppm2 0.631 CV 1 OR { 436} (( segid " " and resid 27 and name HN )) ( segid " " and resid 36 and name HD1%) ASSI { 448} (( segid " " and resid 28 and name HN )) ( segid " " and resid 8 and name HG2%) 4.700 2.700 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.24345E-03 ppm1 8.461 ppm2 1.069 CV 1 OR { 448} (( segid " " and resid 28 and name HN )) ( segid " " and resid 73 and name HG2%) ASSI { 474} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HG1%) 4.800 2.900 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.47775E-03 ppm1 7.502 ppm2 0.773 CV 1 OR { 474} (( segid " " and resid 30 and name HN )) ( segid " " and resid 36 and name HD2%) ASSI { 477} (( segid " " and resid 30 and name HN )) ( segid " " and resid 68 and name HG2%) 4.500 2.500 1.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.34109E-03 ppm1 7.505 ppm2 1.052 CV 1 OR { 477} (( segid " " and resid 30 and name HN )) ( segid " " and resid 8 and name HG2%) ASSI { 483} (( segid " " and resid 30 and name HN )) (( segid " " and resid 69 and name HB )) 4.400 2.400 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.10141E-02 ppm1 7.502 ppm2 2.283 CV 1 OR { 483} (( segid " " and resid 30 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 495} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HN )) 4.600 2.600 1.400 peak 495 spectrum 1 weight 0.10000E+01 volume 0.42340E-03 ppm1 7.503 ppm2 8.218 CV 1 OR { 495} (( segid " " and resid 30 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 496} (( segid " " and resid 30 and name HN )) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.42141E-03 ppm1 7.506 ppm2 8.132 CV 1 OR { 496} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 517} (( segid " " and resid 31 and name HN )) ( segid " " and resid 36 and name HD1%) 4.500 2.500 1.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.45306E-03 ppm1 10.186 ppm2 0.619 CV 1 OR { 517} (( segid " " and resid 31 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 531} (( segid " " and resid 32 and name HN )) ( segid " " and resid 36 and name HD1%) 4.600 2.700 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.35729E-03 ppm1 8.178 ppm2 0.626 CV 1 OR { 531} (( segid " " and resid 32 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 533} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HB1 )) 5.700 4.000 0.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.28525E-03 ppm1 8.179 ppm2 2.311 CV 1 OR { 533} (( segid " " and resid 32 and name HN )) (( segid " " and resid 69 and name HB )) ASSI { 534} (( segid " " and resid 32 and name HN )) (( segid " " and resid 66 and name HB1 )) 5.300 3.500 0.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20482E-03 ppm1 8.180 ppm2 2.254 CV 1 OR { 534} (( segid " " and resid 32 and name HN )) (( segid " " and resid 69 and name HB )) OR { 534} (( segid " " and resid 32 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 534} (( segid " " and resid 32 and name HN )) (( segid " " and resid 43 and name HG1 )) ASSI { 536} (( segid " " and resid 32 and name HN )) ( segid " " and resid 38 and name HG1%) 5.300 3.500 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.24139E-03 ppm1 8.180 ppm2 0.936 CV 1 OR { 536} (( segid " " and resid 32 and name HN )) (( segid " " and resid 66 and name HB2 )) OR { 536} (( segid " " and resid 32 and name HN )) ( segid " " and resid 26 and name HG2%) OR { 536} (( segid " " and resid 32 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 536} (( segid " " and resid 32 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 536} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H7A )) OR { 536} (( segid " " and resid 32 and name HN )) (( segid " " and resid 40 and name H7B )) OR { 536} (( segid " " and resid 32 and name HN )) ( segid " " and resid 28 and name HD2%) ASSI { 598} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) 4.300 2.400 1.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.47663E-03 ppm1 8.047 ppm2 2.295 CV 1 OR { 598} (( segid " " and resid 38 and name HN )) (( segid " " and resid 46 and name HB )) ASSI { 603} (( segid " " and resid 39 and name HN )) ( segid " " and resid 19 and name HB% ) 3.500 1.500 1.500 peak 603 spectrum 1 weight 0.10000E+01 volume 0.19377E-03 ppm1 8.305 ppm2 1.557 CV 1 OR { 603} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name H4B )) ASSI { 620} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name H30%) 5.400 3.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.25286E-03 ppm1 8.974 ppm2 0.871 CV 1 OR { 620} (( segid " " and resid 40 and name HN )) ( segid " " and resid 41 and name HD1%) OR { 620} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name H31%) ASSI { 662} (( segid " " and resid 43 and name HN )) ( segid " " and resid 46 and name HG2%) 5.200 3.400 0.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.23393E-03 ppm1 8.285 ppm2 1.008 CV 1 OR { 662} (( segid " " and resid 43 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 662} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HG1%) ASSI { 663} (( segid " " and resid 43 and name HN )) ( segid " " and resid 38 and name HG2%) 3.700 1.700 1.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.16309E-02 ppm1 8.288 ppm2 0.930 CV 1 OR { 663} (( segid " " and resid 43 and name HN )) ( segid " " and resid 38 and name HG1%) OR { 663} (( segid " " and resid 43 and name HN )) ( segid " " and resid 41 and name HD1%) OR { 663} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HG1%) ASSI { 667} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.500 1.600 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.69235E-03 ppm1 7.251 ppm2 3.941 CV 1 OR { 667} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 683} (( segid " " and resid 45 and name HN )) ( segid " " and resid 38 and name HG2%) 4.900 3.000 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.25133E-03 ppm1 6.996 ppm2 0.886 CV 1 OR { 683} (( segid " " and resid 45 and name HN )) ( segid " " and resid 47 and name HG1%) OR { 683} (( segid " " and resid 45 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 684} (( segid " " and resid 45 and name HN )) ( segid " " and resid 18 and name HD1%) 5.200 3.300 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.42899E-03 ppm1 6.998 ppm2 0.792 CV 1 OR { 684} (( segid " " and resid 45 and name HN )) ( segid " " and resid 63 and name HG1%) ASSI { 690} (( segid " " and resid 46 and name HN )) (( segid " " and resid 50 and name HN )) 4.800 2.900 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.29347E-03 ppm1 8.111 ppm2 8.826 CV 1 OR { 690} (( segid " " and resid 46 and name HN )) (( segid " " and resid 15 and name HN )) OR { 690} (( segid " " and resid 46 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 697} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.800 1.800 1.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.51880E-03 ppm1 8.117 ppm2 2.045 CV 1 OR { 697} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HB )) OR { 697} (( segid " " and resid 69 and name HN )) (( segid " " and resid 30 and name HB1 )) OR { 697} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 698} (( segid " " and resid 46 and name HN )) (( segid " " and resid 18 and name HG11)) 4.900 3.000 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.27903E-03 ppm1 8.124 ppm2 1.635 CV 1 OR { 698} (( segid " " and resid 46 and name HN )) (( segid " " and resid 18 and name HB )) OR { 698} (( segid " " and resid 69 and name HN )) ( segid " " and resid 72 and name HB% ) ASSI { 699} (( segid " " and resid 46 and name HN )) ( segid " " and resid 49 and name HB% ) 4.800 2.900 1.200 peak 699 spectrum 1 weight 0.10000E+01 volume 0.29087E-03 ppm1 8.116 ppm2 1.505 CV 1 OR { 699} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HG2 )) OR { 699} (( segid " " and resid 46 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 702} (( segid " " and resid 46 and name HN )) ( segid " " and resid 48 and name HG2%) 5.300 3.500 0.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.31396E-03 ppm1 8.117 ppm2 1.156 CV 1 OR { 702} (( segid " " and resid 46 and name HN )) ( segid " " and resid 15 and name HG2%) OR { 702} (( segid " " and resid 46 and name HN )) ( segid " " and resid 44 and name HG2%) ASSI { 705} (( segid " " and resid 69 and name HN )) ( segid " " and resid 11 and name HD1%) 5.000 3.100 1.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.54414E-03 ppm1 8.118 ppm2 0.881 CV 1 OR { 705} (( segid " " and resid 46 and name HN )) ( segid " " and resid 47 and name HG1%) OR { 705} (( segid " " and resid 46 and name HN )) ( segid " " and resid 11 and name HD2%) OR { 705} (( segid " " and resid 69 and name HN )) ( segid " " and resid 28 and name HD2%) ASSI { 706} (( segid " " and resid 46 and name HN )) ( segid " " and resid 18 and name HD1%) 3.700 1.700 1.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 8.117 ppm2 0.788 CV 1 OR { 706} (( segid " " and resid 69 and name HN )) ( segid " " and resid 26 and name HG1%) OR { 706} (( segid " " and resid 69 and name HN )) ( segid " " and resid 28 and name HD1%) OR { 706} (( segid " " and resid 46 and name HN )) (( segid " " and resid 40 and name H5B )) OR { 706} (( segid " " and resid 46 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 707} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) 4.600 2.600 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.75763E-03 ppm1 8.117 ppm2 3.595 CV 1 OR { 707} (( segid " " and resid 69 and name HN )) (( segid " " and resid 28 and name HA )) OR { 707} (( segid " " and resid 46 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 717} (( segid " " and resid 47 and name HN )) ( segid " " and resid 48 and name HG2%) 4.700 2.800 1.300 peak 717 spectrum 1 weight 0.10000E+01 volume 0.48871E-03 ppm1 7.868 ppm2 1.094 CV 1 OR { 717} (( segid " " and resid 47 and name HN )) ( segid " " and resid 14 and name HG2%) OR { 717} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HG2%) ASSI { 720} (( segid " " and resid 47 and name HN )) (( segid " " and resid 40 and name H5B )) 5.100 3.300 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.42156E-03 ppm1 7.868 ppm2 0.778 CV 1 OR { 720} (( segid " " and resid 47 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 720} (( segid " " and resid 47 and name HN )) (( segid " " and resid 40 and name H6A )) OR { 720} (( segid " " and resid 47 and name HN )) (( segid " " and resid 40 and name H6B )) OR { 720} (( segid " " and resid 47 and name HN )) ( segid " " and resid 63 and name HG1%) ASSI { 724} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HA )) 4.100 2.100 1.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.57136E-03 ppm1 7.873 ppm2 3.918 CV 1 OR { 724} (( segid " " and resid 47 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 727} (( segid " " and resid 47 and name HN )) ( segid " " and resid 50 and name HB% ) 5.100 3.300 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.16745E-03 ppm1 7.873 ppm2 1.515 CV 1 OR { 727} (( segid " " and resid 47 and name HN )) ( segid " " and resid 49 and name HB% ) ASSI { 728} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HB )) 4.800 2.900 1.200 peak 728 spectrum 1 weight 0.10000E+01 volume 0.28084E-03 ppm1 7.873 ppm2 2.066 CV 1 OR { 728} (( segid " " and resid 47 and name HN )) (( segid " " and resid 14 and name HB )) OR { 728} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 731} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HN )) 4.100 2.100 1.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.38357E-03 ppm1 7.786 ppm2 8.828 CV 1 OR { 731} (( segid " " and resid 48 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 736} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 4.500 2.600 1.500 peak 736 spectrum 1 weight 0.10000E+01 volume 0.45946E-03 ppm1 7.787 ppm2 1.518 CV 1 OR { 736} (( segid " " and resid 48 and name HN )) ( segid " " and resid 50 and name HB% ) ASSI { 742} (( segid " " and resid 48 and name HN )) ( segid " " and resid 18 and name HD1%) 4.200 2.200 1.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.19225E-03 ppm1 7.787 ppm2 0.796 CV 1 OR { 742} (( segid " " and resid 48 and name HN )) ( segid " " and resid 63 and name HG1%) OR { 742} (( segid " " and resid 48 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 742} (( segid " " and resid 48 and name HN )) (( segid " " and resid 58 and name HG12)) ASSI { 743} (( segid " " and resid 48 and name HN )) ( segid " " and resid 46 and name HG1%) 5.300 3.500 0.700 peak 743 spectrum 1 weight 0.10000E+01 volume 0.21577E-03 ppm1 7.783 ppm2 0.652 CV 1 OR { 743} (( segid " " and resid 48 and name HN )) ( segid " " and resid 40 and name H8% ) OR { 743} (( segid " " and resid 25 and name HN )) ( segid " " and resid 36 and name HD1%) OR { 743} (( segid " " and resid 48 and name HN )) ( segid " " and resid 58 and name HD1%) OR { 743} (( segid " " and resid 25 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 747} (( segid " " and resid 49 and name HN )) ( segid " " and resid 18 and name HD1%) 4.300 2.300 1.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.43670E-03 ppm1 7.920 ppm2 0.765 CV 1 OR { 747} (( segid " " and resid 49 and name HN )) ( segid " " and resid 14 and name HD1%) ASSI { 748} (( segid " " and resid 49 and name HN )) ( segid " " and resid 46 and name HG1%) 4.900 2.900 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.37839E-03 ppm1 7.918 ppm2 0.663 CV 1 OR { 748} (( segid " " and resid 49 and name HN )) ( segid " " and resid 40 and name H8% ) OR { 748} (( segid " " and resid 49 and name HN )) ( segid " " and resid 58 and name HD1%) ASSI { 750} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB )) 4.300 2.300 1.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.42303E-03 ppm1 7.922 ppm2 2.305 CV 1 OR { 750} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HG2 )) ASSI { 751} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB )) 4.600 2.600 1.400 peak 751 spectrum 1 weight 0.10000E+01 volume 0.31758E-03 ppm1 7.922 ppm2 2.267 CV 1 OR { 751} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HG2 )) OR { 751} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HG2 )) ASSI { 756} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HA )) 3.700 1.800 1.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.68817E-03 ppm1 7.925 ppm2 4.075 CV 1 OR { 756} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 764} (( segid " " and resid 50 and name HN )) ( segid " " and resid 48 and name HG1%) 4.300 2.300 1.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.46495E-03 ppm1 8.815 ppm2 0.992 CV 1 OR { 764} (( segid " " and resid 50 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 764} (( segid " " and resid 50 and name HN )) (( segid " " and resid 40 and name H7B )) OR { 764} (( segid " " and resid 50 and name HN )) (( segid " " and resid 40 and name H7A )) ASSI { 766} (( segid " " and resid 50 and name HN )) ( segid " " and resid 14 and name HD1%) 3.600 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.13614E-02 ppm1 8.814 ppm2 0.732 CV 1 OR { 766} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 767} (( segid " " and resid 50 and name HN )) ( segid " " and resid 46 and name HG1%) 4.100 2.100 1.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.57854E-03 ppm1 8.818 ppm2 0.645 CV 1 OR { 767} (( segid " " and resid 50 and name HN )) ( segid " " and resid 40 and name H8% ) OR { 767} (( segid " " and resid 50 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 767} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 768} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HB )) 4.500 2.600 1.500 peak 768 spectrum 1 weight 0.10000E+01 volume 0.20410E-03 ppm1 8.817 ppm2 2.297 CV 1 OR { 768} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HG2 )) ASSI { 777} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HN )) 5.500 3.800 0.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.89828E-04 ppm1 8.812 ppm2 8.175 CV 1 OR { 777} (( segid " " and resid 50 and name HN )) (( segid " " and resid 54 and name HN )) ASSI { 778} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HN )) 3.900 1.900 1.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.51162E-03 ppm1 8.817 ppm2 8.095 CV 1 OR { 778} (( segid " " and resid 50 and name HN )) (( segid " " and resid 54 and name HN )) ASSI { 780} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HN )) 4.500 2.600 1.500 peak 780 spectrum 1 weight 0.10000E+01 volume 0.22181E-03 ppm1 8.816 ppm2 7.822 CV 1 OR { 780} (( segid " " and resid 50 and name HN )) (( segid " " and resid 55 and name HN )) ASSI { 796} (( segid " " and resid 51 and name HN )) ( segid " " and resid 40 and name H8% ) 4.100 2.100 1.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.53107E-03 ppm1 8.857 ppm2 0.637 CV 1 OR { 796} (( segid " " and resid 51 and name HN )) ( segid " " and resid 58 and name HD1%) OR { 796} (( segid " " and resid 51 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 798} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB2 )) 4.900 2.900 1.100 peak 798 spectrum 1 weight 0.10000E+01 volume 0.24243E-03 ppm1 7.697 ppm2 1.081 CV 1 OR { 798} (( segid " " and resid 52 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 802} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG2 )) 4.600 2.600 1.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.60876E-03 ppm1 7.700 ppm2 2.275 CV 1 OR { 802} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG2 )) ASSI { 821} (( segid " " and resid 53 and name HN )) ( segid " " and resid 50 and name HB% ) 4.300 2.300 1.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.42181E-03 ppm1 8.199 ppm2 1.513 CV 1 OR { 821} (( segid " " and resid 53 and name HN )) (( segid " " and resid 58 and name HG11)) ASSI { 823} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 3.900 1.900 1.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.46127E-03 ppm1 8.213 ppm2 4.231 CV 1 OR { 823} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 827} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HB2 )) 4.800 2.900 1.200 peak 827 spectrum 1 weight 0.10000E+01 volume 0.17018E-03 ppm1 8.139 ppm2 2.147 CV 1 OR { 827} (( segid " " and resid 54 and name HN )) (( segid " " and resid 80 and name HB2 )) ASSI { 830} (( segid " " and resid 54 and name HN )) ( segid " " and resid 50 and name HB% ) 4.400 2.400 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.37652E-03 ppm1 8.133 ppm2 1.499 CV 1 OR { 830} (( segid " " and resid 54 and name HN )) (( segid " " and resid 7 and name HG11)) ASSI { 835} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG2 )) 4.900 3.000 1.100 peak 835 spectrum 1 weight 0.10000E+01 volume 0.40486E-03 ppm1 8.138 ppm2 0.656 CV 1 OR { 835} (( segid " " and resid 54 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 840} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 3.700 1.700 1.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.87784E-03 ppm1 8.141 ppm2 3.923 CV 1 OR { 840} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 846} (( segid " " and resid 55 and name HN )) (( segid " " and resid 51 and name HA )) 4.300 2.300 1.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.32757E-03 ppm1 7.818 ppm2 4.206 CV 1 OR { 846} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) ASSI { 860} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 2.300 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.61881E-02 ppm1 8.181 ppm2 4.692 CV 1 OR { 860} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) ASSI { 876} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.600 2.700 1.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.26962E-03 ppm1 9.927 ppm2 2.450 CV 1 OR { 876} (( segid " " and resid 58 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 922} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HG1 )) 5.500 3.800 0.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.14391E-03 ppm1 7.604 ppm2 1.399 CV 1 OR { 922} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HG2 )) OR { 922} (( segid " " and resid 63 and name HN )) ( segid " " and resid 43 and name HE% ) ASSI { 924} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB2 )) 5.300 3.500 0.700 peak 924 spectrum 1 weight 0.10000E+01 volume 0.24830E-03 ppm1 7.595 ppm2 1.792 CV 1 OR { 924} (( segid " " and resid 63 and name HN )) (( segid " " and resid 66 and name HG )) OR { 924} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB1 )) ASSI { 925} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB2 )) 5.300 3.500 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.26805E-03 ppm1 7.603 ppm2 1.738 CV 1 OR { 925} (( segid " " and resid 63 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 927} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 4.300 2.300 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.22441E-03 ppm1 7.619 ppm2 2.494 CV 1 OR { 927} (( segid " " and resid 63 and name HN )) (( segid " " and resid 40 and name H38A)) OR { 927} (( segid " " and resid 63 and name HN )) (( segid " " and resid 40 and name H38B)) ASSI { 933} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HN )) 4.600 2.700 1.400 peak 933 spectrum 1 weight 0.10000E+01 volume 0.32408E-03 ppm1 7.603 ppm2 8.631 CV 1 OR { 933} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 970} (( segid " " and resid 66 and name HN )) ( segid " " and resid 63 and name HG2%) 4.300 2.300 1.700 peak 970 spectrum 1 weight 0.10000E+01 volume 0.37533E-03 ppm1 7.743 ppm2 0.792 CV 1 OR { 970} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H6A )) OR { 970} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H6B )) ASSI { 984} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.600 1.600 1.600 peak 984 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 8.551 ppm2 4.496 CV 1 OR { 984} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 988} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.400 1.400 1.400 peak 988 spectrum 1 weight 0.10000E+01 volume 0.25804E-02 ppm1 8.552 ppm2 3.081 CV 1 OR { 988} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HE2 )) OR { 988} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HE1 )) ASSI { 992} (( segid " " and resid 68 and name HN )) ( segid " " and resid 66 and name HD2%) 5.300 3.500 0.700 peak 992 spectrum 1 weight 0.10000E+01 volume 0.26731E-03 ppm1 8.553 ppm2 0.632 CV 1 OR { 992} (( segid " " and resid 68 and name HN )) ( segid " " and resid 69 and name HG2%) ASSI { 1008} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HG2 )) 4.000 2.000 2.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.55070E-03 ppm1 9.413 ppm2 1.457 CV 1 OR { 1008} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HG1 )) OR { 1008} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HG2 )) ASSI { 1036} (( segid " " and resid 72 and name HN )) ( segid " " and resid 66 and name HD2%) 3.800 1.800 1.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.86654E-03 ppm1 8.216 ppm2 0.631 CV 1 OR { 1036} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HD1%) OR { 1036} (( segid " " and resid 72 and name HN )) ( segid " " and resid 76 and name HD1%) OR { 1036} (( segid " " and resid 72 and name HN )) ( segid " " and resid 40 and name H8% ) OR { 1036} (( segid " " and resid 57 and name HN )) ( segid " " and resid 76 and name HD1%) ASSI { 1046} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HB1 )) 4.800 2.800 1.200 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.25453E-03 ppm1 8.645 ppm2 3.115 CV 1 OR { 1046} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HB2 )) OR { 1046} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HB1 )) ASSI { 1051} (( segid " " and resid 73 and name HN )) ( segid " " and resid 77 and name HD1%) 3.900 1.900 1.900 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.97801E-03 ppm1 8.642 ppm2 0.865 CV 1 OR { 1051} (( segid " " and resid 73 and name HN )) ( segid " " and resid 28 and name HD2%) OR { 1051} (( segid " " and resid 61 and name HN )) ( segid " " and resid 47 and name HG1%) OR { 1051} (( segid " " and resid 61 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 1051} (( segid " " and resid 73 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 1052} (( segid " " and resid 73 and name HN )) ( segid " " and resid 28 and name HD1%) 4.000 2.000 2.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.11069E-02 ppm1 8.643 ppm2 0.838 CV 1 OR { 1052} (( segid " " and resid 73 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 1052} (( segid " " and resid 61 and name HN )) ( segid " " and resid 63 and name HG2%) OR { 1052} (( segid " " and resid 73 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 1054} (( segid " " and resid 73 and name HN )) ( segid " " and resid 76 and name HD1%) 3.600 1.600 1.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.10576E-02 ppm1 8.641 ppm2 0.643 CV 1 OR { 1054} (( segid " " and resid 73 and name HN )) ( segid " " and resid 66 and name HD2%) OR { 1054} (( segid " " and resid 73 and name HN )) ( segid " " and resid 40 and name H8% ) OR { 1054} (( segid " " and resid 73 and name HN )) ( segid " " and resid 58 and name HD1%) ASSI { 1066} (( segid " " and resid 74 and name HN )) ( segid " " and resid 76 and name HD1%) 4.800 2.900 1.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.30740E-03 ppm1 8.010 ppm2 0.636 CV 1 OR { 1066} (( segid " " and resid 74 and name HN )) ( segid " " and resid 66 and name HD2%) OR { 1066} (( segid " " and resid 74 and name HN )) ( segid " " and resid 58 and name HD1%) ASSI { 1079} (( segid " " and resid 75 and name HN )) ( segid " " and resid 66 and name HD2%) 4.100 2.100 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.10959E-02 ppm1 7.929 ppm2 0.620 CV 1 OR { 1079} (( segid " " and resid 75 and name HN )) ( segid " " and resid 40 and name H8% ) ASSI { 1085} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB )) 2.300 0.700 0.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.51315E-02 ppm1 8.534 ppm2 1.773 CV 1 OR { 1085} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB )) OR { 1085} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 1117} (( segid " " and resid 79 and name HN )) ( segid " " and resid 76 and name HG2%) 4.500 2.500 1.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.34315E-03 ppm1 7.716 ppm2 0.520 CV 1 OR { 1117} (( segid " " and resid 79 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 1120} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HN )) 4.500 2.500 1.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.43648E-03 ppm1 7.864 ppm2 8.294 CV 1 OR { 1120} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) ASSI { 1155} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 20 and name HA2 )) 4.300 2.400 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.41398E-03 ppm1 6.851 ppm2 3.936 CV 1 OR { 1155} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 13 and name HA )) OR { 1155} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 17 and name HA )) ASSI { 1170} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 4 and name HB2 )) 4.200 2.200 1.800 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.27473E-03 ppm1 6.831 ppm2 2.041 CV 1 OR { 1170} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 8 and name HB )) ASSI { 1171} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 8 and name HB )) 5.100 3.300 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.26447E-03 ppm1 7.509 ppm2 2.045 CV 1 OR { 1171} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HB2 )) OR { 1171} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 5 and name HB1 )) ASSI { 1174} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 28 and name HD2%) 3.600 1.600 1.600 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.10012E-02 ppm1 6.833 ppm2 0.911 CV 1 OR { 1174} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 8 and name HG1%) ASSI { 1177} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 8 and name HG2%) 5.000 3.100 1.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.40118E-03 ppm1 7.511 ppm2 1.065 CV 1 OR { 1177} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 73 and name HG2%) ASSI { 1178} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 28 and name HD2%) 4.200 2.200 1.800 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.94542E-03 ppm1 7.509 ppm2 0.907 CV 1 OR { 1178} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 8 and name HG1%) ASSI { 1197} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 76 and name HG2%) 3.300 1.400 1.400 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.10385E-02 ppm1 7.714 ppm2 0.522 CV 1 OR { 1197} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 7 and name HD1%) ASSI { 1198} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 76 and name HG2%) 2.600 0.900 0.900 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.13963E-02 ppm1 7.643 ppm2 0.524 CV 1 OR { 1198} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 7 and name HD1%) ASSI { 1201} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HA )) 5.900 4.300 0.100 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.13116E-03 ppm1 7.919 ppm2 4.152 CV 1 OR { 1201} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 1206} (( segid " " and resid 60 and name HN )) ( segid " " and resid 47 and name HG1%) 5.200 3.400 0.800 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.18585E-03 ppm1 8.636 ppm2 0.852 CV 1 OR { 1206} (( segid " " and resid 60 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 1208} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HE1 )) 5.100 3.200 0.900 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.14698E-03 ppm1 7.489 ppm2 3.047 CV 1 OR { 1208} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HE2 )) OR { 1208} (( segid " " and resid 26 and name HN )) (( segid " " and resid 30 and name HE1 )) ASSI { 1216} (( segid " " and resid 21 and name HN )) ( segid " " and resid 38 and name HG1%) 4.900 3.000 1.100 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.50026E-03 ppm1 6.465 ppm2 0.929 CV 1 OR { 1216} (( segid " " and resid 21 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 1216} (( segid " " and resid 21 and name HN )) ( segid " " and resid 26 and name HG2%) OR { 1216} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 1217} (( segid " " and resid 21 and name HN )) ( segid " " and resid 36 and name HD2%) 5.400 3.600 0.600 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.27915E-03 ppm1 6.467 ppm2 0.745 CV 1 OR { 1217} (( segid " " and resid 21 and name HN )) ( segid " " and resid 18 and name HD1%) OR { 1217} (( segid " " and resid 21 and name HN )) ( segid " " and resid 26 and name HG1%) ASSI { 1219} (( segid " " and resid 12 and name HN )) (( segid " " and resid 15 and name HB )) 5.000 3.100 1.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.30848E-03 ppm1 8.905 ppm2 2.233 CV 1 OR { 1219} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 1222} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HG2 )) 2.900 1.100 1.100 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.30514E-02 ppm1 8.387 ppm2 2.129 CV 1 OR { 1222} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 1225} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HA )) 4.600 2.600 1.400 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.31106E-03 ppm1 8.386 ppm2 4.137 CV 1 OR { 1225} (( segid " " and resid 8 and name HN )) (( segid " " and resid 73 and name HB )) ASSI { 1230} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) 4.600 2.600 1.400 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.17602E-03 ppm1 8.110 ppm2 3.660 CV 1 OR { 1230} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 1232} (( segid " " and resid 16 and name HN )) (( segid " " and resid 21 and name HB )) 5.200 3.300 0.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.19465E-03 ppm1 8.684 ppm2 1.606 CV 1 OR { 1232} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HB )) OR { 1232} (( segid " " and resid 16 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 1240} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HD1 )) 5.000 3.100 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.26734E-03 ppm1 8.645 ppm2 1.772 CV 1 OR { 1240} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HB )) OR { 1240} (( segid " " and resid 73 and name HN )) (( segid " " and resid 7 and name HB )) OR { 1240} (( segid " " and resid 61 and name HN )) (( segid " " and resid 64 and name HB2 )) OR { 1240} (( segid " " and resid 73 and name HN )) (( segid " " and resid 77 and name HB1 )) ASSI { 1245} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG )) 2.400 0.700 0.700 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.31001E-02 ppm1 8.495 ppm2 1.659 CV 1 OR { 1245} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) OR { 1245} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 1250} (( segid " " and resid 57 and name HN )) (( segid " " and resid 51 and name HG2 )) 5.900 4.300 0.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.13507E-03 ppm1 8.180 ppm2 2.300 CV 1 OR { 1250} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HB )) OR { 1250} (( segid " " and resid 57 and name HN )) (( segid " " and resid 80 and name HB1 )) ASSI { 30} (( segid " " and resid 47 and name HB )) ( segid " " and resid 40 and name H8% ) 5.100 3.200 0.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.64772E-03 ppm1 2.295 ppm2 0.628 CV 1 OR { 30} (( segid " " and resid 69 and name HB )) ( segid " " and resid 40 and name H8% ) ASSI { 4} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.900 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.13426E-02 ppm1 3.962 ppm2 1.616 CV 1 ASSI { 5} (( segid " " and resid 50 and name HA )) ( segid " " and resid 50 and name HB% ) 2.300 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.68652E-02 ppm1 3.956 ppm2 1.498 CV 1 ASSI { 10} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11286E-02 ppm1 3.957 ppm2 8.200 CV 1 ASSI { 11} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HZ )) 3.200 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.20124E-02 ppm1 3.957 ppm2 7.458 CV 1 OR { 11} (( segid " " and resid 50 and name HA )) ( segid " " and resid 54 and name HD% ) ASSI { 12} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.26456E-02 ppm1 3.956 ppm2 8.822 CV 1 ASSI { 13} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.22923E-02 ppm1 1.499 ppm2 3.329 CV 1 ASSI { 14} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 54 and name HZ )) 3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.22987E-02 ppm1 1.500 ppm2 7.462 CV 1 OR { 14} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 54 and name HD% ) ASSI { 15} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 54 and name HE% ) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.87896E-03 ppm1 1.503 ppm2 7.125 CV 1 ASSI { 16} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.300 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.69554E-02 ppm1 1.502 ppm2 8.825 CV 1 ASSI { 21} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HA )) 2.200 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.83760E-02 ppm1 1.568 ppm2 4.826 CV 1 ASSI { 22} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 3 and name HN )) 2.400 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.36887E-02 ppm1 1.567 ppm2 8.537 CV 1 ASSI { 23} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 7 and name HN )) 3.800 1.800 1.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.12045E-02 ppm1 1.567 ppm2 8.391 CV 1 ASSI { 25} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 54 and name HD% ) 2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.19397E-02 ppm1 1.567 ppm2 7.468 CV 1 ASSI { 26} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 54 and name HE% ) 3.600 1.600 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.10314E-02 ppm1 1.567 ppm2 7.129 CV 1 ASSI { 27} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 1 and name HA )) 4.400 2.400 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.44516E-03 ppm1 1.567 ppm2 4.034 CV 1 ASSI { 28} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 7 and name HA )) 3.900 1.900 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.84275E-03 ppm1 1.568 ppm2 3.895 CV 1 ASSI { 29} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HB1 )) 2.900 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.29359E-02 ppm1 1.568 ppm2 2.490 CV 1 ASSI { 30} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HG2 )) 4.200 2.200 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.12225E-02 ppm1 1.565 ppm2 2.395 CV 1 OR { 30} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HG1 )) ASSI { 31} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HB1 )) 6.000 6.000 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.23182E-04 ppm1 1.571 ppm2 2.323 CV 1 ASSI { 32} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HB2 )) 2.700 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.22285E-02 ppm1 1.567 ppm2 2.110 CV 1 ASSI { 35} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 7 and name HG12)) 3.000 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.23738E-02 ppm1 1.569 ppm2 0.257 CV 1 ASSI { 36} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB )) 2.200 0.600 0.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.71408E-02 ppm1 4.441 ppm2 4.723 CV 1 ASSI { 37} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HG2%) 2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.74707E-02 ppm1 4.442 ppm2 1.360 CV 1 ASSI { 38} (( segid " " and resid 3 and name HA )) ( segid " " and resid 77 and name HD2%) 2.900 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.15037E-02 ppm1 4.441 ppm2 0.822 CV 1 OR { 38} (( segid " " and resid 3 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 40} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) 2.600 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19710E-02 ppm1 4.440 ppm2 8.533 CV 1 ASSI { 41} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.400 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.56178E-02 ppm1 4.441 ppm2 9.233 CV 1 ASSI { 43} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 2 and name HA )) 3.300 1.400 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.11697E-02 ppm1 1.363 ppm2 4.826 CV 1 ASSI { 44} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HB )) 2.200 0.600 0.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.71374E-02 ppm1 1.364 ppm2 4.722 CV 1 ASSI { 46} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HN )) 2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.50406E-02 ppm1 1.365 ppm2 8.539 CV 1 ASSI { 47} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 4 and name HN )) 4.500 2.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 1.365 ppm2 9.234 CV 1 ASSI { 50} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB1 )) 4.700 2.800 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.74686E-03 ppm1 4.441 ppm2 2.176 CV 1 ASSI { 51} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB2 )) 4.700 2.700 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.49226E-03 ppm1 4.439 ppm2 2.041 CV 1 ASSI { 52} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 2.700 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.19328E-02 ppm1 3.707 ppm2 9.234 CV 1 ASSI { 53} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.85499E-03 ppm1 3.705 ppm2 8.868 CV 1 ASSI { 54} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HN )) 2.800 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16245E-02 ppm1 3.706 ppm2 8.392 CV 1 ASSI { 55} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HN )) 2.600 0.800 0.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.17237E-02 ppm1 2.184 ppm2 9.233 CV 1 ASSI { 57} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HN )) 4.800 2.800 1.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.60005E-03 ppm1 2.243 ppm2 9.229 CV 1 ASSI { 58} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HN )) 4.300 2.300 1.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.68046E-03 ppm1 2.162 ppm2 9.236 CV 1 ASSI { 59} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.900 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10329E-02 ppm1 2.179 ppm2 8.861 CV 1 ASSI { 60} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HE22)) 4.500 2.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.54190E-03 ppm1 2.162 ppm2 7.506 CV 1 ASSI { 61} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HE22)) 4.900 3.000 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.44141E-03 ppm1 2.234 ppm2 7.505 CV 1 ASSI { 62} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HA )) 3.900 1.900 1.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.57920E-03 ppm1 3.697 ppm2 4.438 CV 1 ASSI { 63} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) 2.300 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.70671E-02 ppm1 3.706 ppm2 2.179 CV 1 OR { 63} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HG2 )) ASSI { 64} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.400 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.27756E-02 ppm1 3.706 ppm2 2.040 CV 1 ASSI { 66} (( segid " " and resid 4 and name HA )) ( segid " " and resid 2 and name HB% ) 4.200 2.200 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.68293E-03 ppm1 3.706 ppm2 1.573 CV 1 ASSI { 67} (( segid " " and resid 4 and name HA )) ( segid " " and resid 73 and name HG2%) 2.600 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.24665E-02 ppm1 3.706 ppm2 1.106 CV 1 ASSI { 69} (( segid " " and resid 4 and name HA )) ( segid " " and resid 7 and name HD1%) 2.700 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.39244E-02 ppm1 3.706 ppm2 0.529 CV 1 OR { 69} (( segid " " and resid 4 and name HA )) ( segid " " and resid 7 and name HG2%) ASSI { 70} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 70 spectrum 1 weight 0.10000E+01 volume 0.21242E-02 ppm1 2.185 ppm2 3.700 CV 1 ASSI { 77} (( segid " " and resid 4 and name HG1 )) ( segid " " and resid 73 and name HG2%) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.22328E-02 ppm1 2.235 ppm2 1.105 CV 1 ASSI { 78} (( segid " " and resid 4 and name HG2 )) ( segid " " and resid 73 and name HG2%) 2.900 1.100 1.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.19074E-02 ppm1 2.165 ppm2 1.099 CV 1 ASSI { 79} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HN )) 4.200 2.200 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.78712E-03 ppm1 2.488 ppm2 8.864 CV 1 ASSI { 80} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.600 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.32867E-02 ppm1 3.936 ppm2 8.864 CV 1 ASSI { 82} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 3.100 1.200 1.200 peak 82 spectrum 1 weight 0.10000E+01 volume 0.13979E-02 ppm1 3.939 ppm2 7.703 CV 1 ASSI { 83} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG1 )) 3.200 1.300 1.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.16060E-02 ppm1 3.936 ppm2 2.494 CV 1 ASSI { 84} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG2 )) 2.700 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.43252E-02 ppm1 3.937 ppm2 2.317 CV 1 ASSI { 85} (( segid " " and resid 5 and name HA )) (( segid " " and resid 4 and name HG2 )) 3.700 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.91714E-03 ppm1 3.934 ppm2 2.204 CV 1 OR { 85} (( segid " " and resid 5 and name HA )) (( segid " " and resid 4 and name HG1 )) OR { 85} (( segid " " and resid 5 and name HA )) (( segid " " and resid 4 and name HB1 )) ASSI { 86} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB2 )) 2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.69707E-02 ppm1 3.936 ppm2 1.991 CV 1 ASSI { 87} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) 2.600 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.45502E-02 ppm1 3.935 ppm2 2.095 CV 1 ASSI { 88} (( segid " " and resid 5 and name HA )) ( segid " " and resid 8 and name HG2%) 3.300 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.19010E-02 ppm1 3.937 ppm2 1.042 CV 1 ASSI { 94} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HB1 )) 2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.41238E-02 ppm1 2.490 ppm2 2.089 CV 1 ASSI { 95} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HB2 )) 2.600 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.34140E-02 ppm1 2.489 ppm2 1.977 CV 1 ASSI { 96} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HB2 )) 2.900 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.33197E-02 ppm1 2.327 ppm2 1.974 CV 1 ASSI { 98} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.35367E-02 ppm1 2.116 ppm2 7.696 CV 1 ASSI { 99} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HN )) 2.400 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.59228E-02 ppm1 4.132 ppm2 7.704 CV 1 ASSI { 101} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 3 and name HN )) 2.200 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 2.113 ppm2 8.537 CV 1 ASSI { 103} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 7 and name HN )) 2.800 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.99311E-03 ppm1 2.115 ppm2 8.396 CV 1 ASSI { 104} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 3.200 1.300 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.14892E-02 ppm1 4.142 ppm2 8.395 CV 1 ASSI { 105} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 2.600 0.900 0.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.50787E-02 ppm1 2.114 ppm2 4.155 CV 1 ASSI { 109} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HN )) 3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.15740E-02 ppm1 2.379 ppm2 7.696 CV 1 ASSI { 113} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HA )) 2.900 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.20895E-02 ppm1 2.378 ppm2 4.136 CV 1 ASSI { 114} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HA )) 3.400 1.400 1.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.21274E-02 ppm1 2.432 ppm2 4.134 CV 1 ASSI { 115} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HN )) 3.200 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.13701E-02 ppm1 2.433 ppm2 7.696 CV 1 ASSI { 116} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB )) 2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.19909E-02 ppm1 3.890 ppm2 1.790 CV 1 ASSI { 117} (( segid " " and resid 7 and name HG11)) (( segid " " and resid 7 and name HN )) 2.300 0.600 0.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.28103E-02 ppm1 1.545 ppm2 8.393 CV 1 ASSI { 118} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 7 and name HN )) 3.900 1.900 1.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.12721E-02 ppm1 0.259 ppm2 8.389 CV 1 ASSI { 119} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HN )) 2.100 0.600 0.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.62964E-02 ppm1 1.792 ppm2 8.391 CV 1 ASSI { 120} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HN )) 2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.40411E-02 ppm1 3.892 ppm2 8.393 CV 1 ASSI { 121} (( segid " " and resid 7 and name HA )) (( segid " " and resid 54 and name HZ )) 2.600 0.900 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.28334E-02 ppm1 3.891 ppm2 7.460 CV 1 OR { 121} (( segid " " and resid 7 and name HA )) ( segid " " and resid 54 and name HD% ) ASSI { 122} (( segid " " and resid 7 and name HA )) ( segid " " and resid 54 and name HE% ) 2.500 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.28024E-02 ppm1 3.891 ppm2 7.131 CV 1 ASSI { 123} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG11)) 2.600 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.35114E-02 ppm1 3.892 ppm2 1.544 CV 1 ASSI { 124} (( segid " " and resid 7 and name HA )) ( segid " " and resid 7 and name HG2%) 2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.59556E-02 ppm1 3.893 ppm2 0.546 CV 1 OR { 124} (( segid " " and resid 7 and name HA )) ( segid " " and resid 7 and name HD1%) ASSI { 125} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG12)) 2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 3.893 ppm2 0.258 CV 1 ASSI { 129} (( segid " " and resid 76 and name HB )) ( segid " " and resid 76 and name HG2%) 1.800 0.400 0.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.12747E-01 ppm1 1.786 ppm2 0.539 CV 1 ASSI { 132} (( segid " " and resid 7 and name HG11)) ( segid " " and resid 7 and name HD1%) 2.200 0.600 0.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.63935E-02 ppm1 1.544 ppm2 0.531 CV 1 OR { 132} (( segid " " and resid 7 and name HG11)) ( segid " " and resid 7 and name HG2%) ASSI { 134} (( segid " " and resid 7 and name HG12)) ( segid " " and resid 7 and name HD1%) 2.100 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.65359E-02 ppm1 0.266 ppm2 0.533 CV 1 OR { 134} (( segid " " and resid 7 and name HG12)) ( segid " " and resid 7 and name HG2%) ASSI { 136} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 7 and name HB )) 3.300 1.400 1.400 peak 136 spectrum 1 weight 0.10000E+01 volume 0.10490E-02 ppm1 0.266 ppm2 1.791 CV 1 ASSI { 137} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.37483E-02 ppm1 0.562 ppm2 3.894 CV 1 ASSI { 138} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HA )) 3.300 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.42796E-02 ppm1 0.529 ppm2 3.892 CV 1 ASSI { 140} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HN )) 3.500 1.500 1.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.22284E-02 ppm1 0.528 ppm2 8.391 CV 1 ASSI { 143} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 54 and name HD% ) 4.600 2.700 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.60308E-03 ppm1 0.527 ppm2 7.461 CV 1 OR { 143} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 54 and name HZ )) ASSI { 145} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.600 1.600 1.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.23045E-02 ppm1 0.561 ppm2 8.392 CV 1 ASSI { 146} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 54 and name HZ )) 3.300 1.400 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.92107E-03 ppm1 0.562 ppm2 7.464 CV 1 OR { 146} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 54 and name HD% ) ASSI { 147} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 54 and name HE% ) 3.800 1.800 1.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.82680E-03 ppm1 0.563 ppm2 7.126 CV 1 ASSI { 148} (( segid " " and resid 7 and name HA )) (( segid " " and resid 11 and name HN )) 3.500 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.65677E-03 ppm1 3.893 ppm2 9.240 CV 1 ASSI { 149} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HA )) 2.500 0.800 0.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.37059E-02 ppm1 0.528 ppm2 3.699 CV 1 ASSI { 150} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 73 and name HG2%) 2.800 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.22125E-02 ppm1 0.528 ppm2 1.108 CV 1 ASSI { 151} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 73 and name HG2%) 3.000 1.200 1.200 peak 151 spectrum 1 weight 0.10000E+01 volume 0.45200E-02 ppm1 0.562 ppm2 1.111 CV 1 ASSI { 152} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 77 and name HD2%) 2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.58529E-02 ppm1 0.528 ppm2 0.820 CV 1 OR { 152} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 77 and name HD1%) ASSI { 155} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HG12)) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.27319E-02 ppm1 0.562 ppm2 0.266 CV 1 ASSI { 156} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HG12)) 2.000 0.500 0.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.77685E-02 ppm1 0.528 ppm2 0.256 CV 1 ASSI { 157} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HB )) 2.200 0.600 0.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.71008E-02 ppm1 0.529 ppm2 1.780 CV 1 ASSI { 158} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 7 and name HG11)) 2.000 0.500 0.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.96174E-02 ppm1 0.530 ppm2 1.550 CV 1 ASSI { 159} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HB2 )) 2.800 2.800 3.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.65608E-03 ppm1 0.562 ppm2 2.130 CV 1 ASSI { 161} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 2.100 0.500 0.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.73293E-02 ppm1 0.562 ppm2 1.781 CV 1 ASSI { 162} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HG11)) 3.500 1.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.20123E-02 ppm1 0.561 ppm2 1.546 CV 1 ASSI { 167} (( segid " " and resid 8 and name HB )) (( segid " " and resid 8 and name HN )) 2.300 0.600 0.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.48059E-02 ppm1 2.024 ppm2 8.390 CV 1 ASSI { 168} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HN )) 2.500 0.800 0.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.36850E-02 ppm1 3.394 ppm2 8.390 CV 1 ASSI { 169} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HN )) 2.000 0.500 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.73131E-02 ppm1 1.047 ppm2 8.389 CV 1 ASSI { 172} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HN )) 3.800 1.800 1.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.20651E-02 ppm1 0.903 ppm2 8.392 CV 1 ASSI { 173} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HN )) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.21087E-02 ppm1 0.904 ppm2 7.721 CV 1 ASSI { 174} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HN )) 4.400 2.400 1.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 1.045 ppm2 7.730 CV 1 ASSI { 175} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HE22)) 4.500 2.600 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.61778E-03 ppm1 1.043 ppm2 7.519 CV 1 ASSI { 176} (( segid " " and resid 8 and name HB )) (( segid " " and resid 9 and name HN )) 2.300 0.600 0.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.31805E-02 ppm1 2.028 ppm2 7.727 CV 1 ASSI { 177} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.11161E-02 ppm1 3.394 ppm2 9.249 CV 1 ASSI { 178} (( segid " " and resid 8 and name HA )) (( segid " " and resid 12 and name HN )) 4.000 2.000 2.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.63404E-03 ppm1 3.394 ppm2 8.909 CV 1 ASSI { 179} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HN )) 3.400 1.400 1.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.12806E-02 ppm1 3.393 ppm2 7.731 CV 1 ASSI { 181} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 9 and name HA )) 3.300 1.300 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.12936E-02 ppm1 0.905 ppm2 4.226 CV 1 ASSI { 182} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 27 and name HA )) 3.300 1.300 1.300 peak 182 spectrum 1 weight 0.10000E+01 volume 0.71733E-03 ppm1 0.903 ppm2 4.638 CV 1 ASSI { 187} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 28 and name HA )) 4.300 2.300 1.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.45390E-03 ppm1 1.046 ppm2 3.576 CV 1 ASSI { 189} (( segid " " and resid 8 and name HB )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 2.024 ppm2 3.937 CV 1 ASSI { 190} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HA )) 2.300 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.56727E-02 ppm1 1.048 ppm2 3.389 CV 1 ASSI { 192} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB )) 2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.30858E-02 ppm1 3.393 ppm2 2.014 CV 1 ASSI { 194} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.800 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.11221E-02 ppm1 3.393 ppm2 1.286 CV 1 ASSI { 196} (( segid " " and resid 8 and name HA )) ( segid " " and resid 8 and name HG1%) 2.300 0.700 0.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.69323E-02 ppm1 3.392 ppm2 0.895 CV 1 ASSI { 198} (( segid " " and resid 8 and name HA )) ( segid " " and resid 69 and name HG2%) 3.500 1.500 1.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.12703E-02 ppm1 3.391 ppm2 0.655 CV 1 ASSI { 199} (( segid " " and resid 8 and name HA )) ( segid " " and resid 7 and name HG2%) 3.100 1.200 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 3.393 ppm2 0.552 CV 1 ASSI { 200} (( segid " " and resid 8 and name HB )) ( segid " " and resid 8 and name HG1%) 2.200 0.600 0.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.68567E-02 ppm1 2.024 ppm2 0.903 CV 1 ASSI { 205} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 7 and name HG2%) 3.600 1.600 1.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.13805E-02 ppm1 1.047 ppm2 0.546 CV 1 OR { 205} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 7 and name HD1%) ASSI { 206} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HB )) 2.100 0.500 0.500 peak 206 spectrum 1 weight 0.10000E+01 volume 0.69641E-02 ppm1 1.046 ppm2 2.021 CV 1 ASSI { 207} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 7 and name HB )) 3.100 1.200 1.200 peak 207 spectrum 1 weight 0.10000E+01 volume 0.25148E-02 ppm1 1.048 ppm2 1.779 CV 1 ASSI { 208} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HG1 )) 3.400 1.400 1.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.20194E-02 ppm1 1.045 ppm2 2.226 CV 1 OR { 208} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HB1 )) ASSI { 209} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HG2 )) 2.600 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.18070E-02 ppm1 1.046 ppm2 2.187 CV 1 OR { 209} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 4 and name HB1 )) ASSI { 210} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.600 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.41257E-02 ppm1 4.227 ppm2 7.727 CV 1 ASSI { 212} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 9 and name HN )) 2.200 0.600 0.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.99677E-02 ppm1 1.521 ppm2 7.729 CV 1 ASSI { 214} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HN )) 4.000 2.000 2.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.12825E-02 ppm1 4.226 ppm2 8.397 CV 1 ASSI { 215} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HN )) 3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 4.229 ppm2 8.908 CV 1 ASSI { 216} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 8 and name HN )) 3.300 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.47369E-02 ppm1 1.521 ppm2 8.394 CV 1 ASSI { 218} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 6 and name HA )) 2.600 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.47709E-02 ppm1 1.521 ppm2 4.142 CV 1 ASSI { 219} (( segid " " and resid 9 and name HA )) ( segid " " and resid 12 and name HB% ) 2.500 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.49155E-02 ppm1 4.224 ppm2 1.682 CV 1 ASSI { 220} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HB% ) 2.000 0.500 0.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.19602E-01 ppm1 4.231 ppm2 1.521 CV 1 ASSI { 222} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 10 and name HN )) 2.400 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.37137E-02 ppm1 4.065 ppm2 8.394 CV 1 ASSI { 223} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 10 and name HN )) 2.900 1.000 1.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.41039E-02 ppm1 3.875 ppm2 8.395 CV 1 ASSI { 224} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 11 and name HN )) 3.100 1.200 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.11066E-02 ppm1 4.067 ppm2 9.241 CV 1 ASSI { 226} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HN )) 4.300 2.300 1.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.69726E-03 ppm1 4.055 ppm2 7.947 CV 1 ASSI { 228} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 54 and name HZ )) 3.300 1.300 1.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 4.066 ppm2 7.456 CV 1 OR { 228} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 54 and name HD% ) ASSI { 229} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 54 and name HZ )) 4.000 2.000 2.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.17165E-02 ppm1 3.871 ppm2 7.459 CV 1 OR { 229} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 54 and name HD% ) ASSI { 230} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 54 and name HE% ) 3.300 1.400 1.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.56718E-03 ppm1 4.062 ppm2 7.117 CV 1 ASSI { 231} (( segid " " and resid 10 and name HA2 )) ( segid " " and resid 54 and name HE% ) 4.500 2.600 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.72398E-03 ppm1 3.881 ppm2 7.128 CV 1 ASSI { 232} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HG2 )) 4.700 2.800 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.94426E-03 ppm1 4.055 ppm2 2.292 CV 1 OR { 232} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 13 and name HB1 )) ASSI { 233} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HG2 )) 3.700 1.700 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.79046E-03 ppm1 3.878 ppm2 2.300 CV 1 OR { 233} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HB1 )) ASSI { 234} (( segid " " and resid 10 and name HA1 )) ( segid " " and resid 9 and name HB% ) 4.400 2.400 1.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.71730E-03 ppm1 4.066 ppm2 1.528 CV 1 ASSI { 238} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17395E-02 ppm1 2.122 ppm2 8.907 CV 1 ASSI { 244} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 8 and name HA )) 3.400 1.500 1.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.18512E-02 ppm1 2.122 ppm2 3.388 CV 1 ASSI { 247} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.300 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.58575E-02 ppm1 4.257 ppm2 2.106 CV 1 ASSI { 248} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.21063E-02 ppm1 4.256 ppm2 1.988 CV 1 ASSI { 250} (( segid " " and resid 11 and name HA )) ( segid " " and resid 11 and name HD2%) 2.200 0.600 0.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.99083E-02 ppm1 4.262 ppm2 0.886 CV 1 OR { 250} (( segid " " and resid 11 and name HA )) ( segid " " and resid 11 and name HD1%) ASSI { 252} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) 2.600 0.800 0.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.29890E-02 ppm1 4.258 ppm2 1.273 CV 1 ASSI { 255} (( segid " " and resid 11 and name HA )) (( segid " " and resid 15 and name HN )) 3.700 1.700 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.65902E-03 ppm1 4.256 ppm2 8.794 CV 1 ASSI { 257} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG )) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.20420E-02 ppm1 1.289 ppm2 1.995 CV 1 ASSI { 258} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 11 and name HD1%) 2.400 0.700 0.700 peak 258 spectrum 1 weight 0.10000E+01 volume 0.40508E-02 ppm1 2.121 ppm2 0.864 CV 1 OR { 258} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 11 and name HD2%) ASSI { 260} (( segid " " and resid 11 and name HG )) ( segid " " and resid 11 and name HD1%) 1.900 0.500 0.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.13599E-01 ppm1 1.991 ppm2 0.859 CV 1 OR { 260} (( segid " " and resid 11 and name HG )) ( segid " " and resid 11 and name HD2%) ASSI { 261} (( segid " " and resid 11 and name HG )) ( segid " " and resid 7 and name HG2%) 3.200 1.300 1.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10810E-02 ppm1 1.991 ppm2 0.560 CV 1 OR { 261} (( segid " " and resid 11 and name HG )) ( segid " " and resid 7 and name HD1%) ASSI { 265} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HN )) 4.300 2.300 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.94841E-03 ppm1 0.863 ppm2 8.201 CV 1 ASSI { 268} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 32 and name HZ )) 2.900 1.100 1.100 peak 268 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 0.855 ppm2 6.852 CV 1 ASSI { 270} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HA )) 4.000 2.000 2.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11441E-02 ppm1 0.859 ppm2 4.243 CV 1 ASSI { 271} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HA )) 2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 0.867 ppm2 3.917 CV 1 ASSI { 272} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 272 spectrum 1 weight 0.10000E+01 volume 0.21625E-02 ppm1 0.858 ppm2 3.392 CV 1 ASSI { 275} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HD2 )) 3.100 1.200 1.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 0.869 ppm2 2.693 CV 1 ASSI { 277} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HG )) 1.900 0.500 0.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.14579E-01 ppm1 0.858 ppm2 1.988 CV 1 ASSI { 279} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HA )) 2.300 0.600 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.59824E-02 ppm1 0.887 ppm2 4.254 CV 1 ASSI { 280} ( segid " " and resid 11 and name HD2%) ( segid " " and resid 54 and name HE% ) 3.500 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 0.888 ppm2 7.126 CV 1 ASSI { 281} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 11 and name HG )) 2.400 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.43280E-02 ppm1 0.889 ppm2 1.974 CV 1 ASSI { 287} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.17812E-02 ppm1 0.859 ppm2 9.239 CV 1 ASSI { 288} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.23840E-02 ppm1 4.256 ppm2 9.240 CV 1 ASSI { 289} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HN )) 2.200 0.600 0.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.69117E-02 ppm1 1.687 ppm2 8.909 CV 1 ASSI { 290} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.26997E-02 ppm1 4.057 ppm2 8.910 CV 1 ASSI { 291} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.400 1.400 1.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.10029E-02 ppm1 4.055 ppm2 8.792 CV 1 ASSI { 292} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HN )) 4.700 2.700 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.43595E-03 ppm1 1.685 ppm2 9.240 CV 1 ASSI { 293} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HN )) 2.600 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.33641E-02 ppm1 1.688 ppm2 7.948 CV 1 ASSI { 296} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HA )) 3.300 3.300 2.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.39737E-02 ppm1 1.689 ppm2 4.226 CV 1 ASSI { 297} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HA )) 2.100 0.500 0.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.72579E-02 ppm1 1.687 ppm2 4.056 CV 1 ASSI { 298} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HA )) 3.700 1.700 1.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.81103E-03 ppm1 1.685 ppm2 3.922 CV 1 ASSI { 299} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 15 and name HA )) 3.900 3.900 2.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.30870E-02 ppm1 1.689 ppm2 3.614 CV 1 ASSI { 302} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB )) 2.200 0.600 0.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.29628E-02 ppm1 4.059 ppm2 2.258 CV 1 ASSI { 310} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 14 and name HD1%) 3.400 3.400 2.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.39737E-02 ppm1 1.687 ppm2 0.740 CV 1 ASSI { 312} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HN )) 3.500 1.500 1.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.26571E-02 ppm1 2.301 ppm2 7.948 CV 1 ASSI { 315} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HN )) 2.900 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.19206E-02 ppm1 2.305 ppm2 7.946 CV 1 ASSI { 316} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.30258E-02 ppm1 3.945 ppm2 7.946 CV 1 ASSI { 320} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HG1 )) 3.500 1.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.16109E-02 ppm1 3.945 ppm2 2.615 CV 1 ASSI { 321} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 13 and name HG1 )) 2.700 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.33350E-02 ppm1 2.300 ppm2 2.611 CV 1 ASSI { 322} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 13 and name HG1 )) 2.600 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.28863E-02 ppm1 2.225 ppm2 2.609 CV 1 ASSI { 326} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 13 and name HA )) 2.900 1.000 1.000 peak 326 spectrum 1 weight 0.10000E+01 volume 0.24171E-02 ppm1 2.305 ppm2 3.942 CV 1 ASSI { 328} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.35248E-02 ppm1 3.821 ppm2 8.197 CV 1 ASSI { 329} (( segid " " and resid 14 and name HB )) (( segid " " and resid 14 and name HN )) 2.200 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.45986E-02 ppm1 2.103 ppm2 8.194 CV 1 ASSI { 330} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.10398E-02 ppm1 3.822 ppm2 8.796 CV 1 ASSI { 331} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.700 1.700 1.700 peak 331 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 3.822 ppm2 8.397 CV 1 ASSI { 334} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 14 and name HN )) 3.800 1.800 1.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.16324E-02 ppm1 1.061 ppm2 8.195 CV 1 ASSI { 335} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HN )) 3.700 1.700 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.14939E-02 ppm1 1.062 ppm2 8.198 CV 1 ASSI { 336} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 13 and name HN )) 4.700 2.800 1.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.71661E-03 ppm1 1.064 ppm2 7.920 CV 1 ASSI { 337} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HN )) 3.200 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.14406E-02 ppm1 1.064 ppm2 8.801 CV 1 ASSI { 338} (( segid " " and resid 14 and name HB )) (( segid " " and resid 11 and name HA )) 2.600 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.29263E-02 ppm1 2.103 ppm2 4.255 CV 1 ASSI { 341} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 14 and name HA )) 3.400 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.27190E-02 ppm1 1.060 ppm2 3.821 CV 1 ASSI { 342} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 11 and name HA )) 4.200 2.200 1.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.69279E-03 ppm1 1.063 ppm2 4.242 CV 1 ASSI { 344} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HA )) 2.500 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.34178E-02 ppm1 1.064 ppm2 3.819 CV 1 ASSI { 345} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 15 and name HA )) 3.100 1.200 1.200 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11854E-02 ppm1 1.065 ppm2 3.602 CV 1 ASSI { 346} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 46 and name HA )) 2.200 0.600 0.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.41504E-02 ppm1 1.063 ppm2 3.431 CV 1 ASSI { 347} (( segid " " and resid 14 and name HG11)) ( segid " " and resid 14 and name HD1%) 2.300 0.600 0.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.55494E-02 ppm1 1.993 ppm2 0.737 CV 1 ASSI { 348} (( segid " " and resid 14 and name HG12)) ( segid " " and resid 14 and name HD1%) 2.300 0.700 0.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.46514E-02 ppm1 1.061 ppm2 0.739 CV 1 ASSI { 350} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB )) 2.600 0.800 0.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.34284E-02 ppm1 3.820 ppm2 2.116 CV 1 ASSI { 351} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG11)) 2.200 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.38816E-02 ppm1 3.822 ppm2 1.988 CV 1 ASSI { 354} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HG2%) 2.300 0.600 0.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.92038E-02 ppm1 3.821 ppm2 1.059 CV 1 OR { 354} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG12)) ASSI { 355} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD1%) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.21492E-02 ppm1 3.823 ppm2 0.744 CV 1 ASSI { 356} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HB )) 2.200 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.41835E-02 ppm1 1.063 ppm2 2.099 CV 1 ASSI { 357} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HG11)) 3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.17532E-02 ppm1 1.063 ppm2 1.983 CV 1 ASSI { 360} (( segid " " and resid 14 and name HB )) ( segid " " and resid 14 and name HG2%) 2.100 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.58641E-02 ppm1 2.102 ppm2 1.061 CV 1 OR { 360} (( segid " " and resid 14 and name HB )) (( segid " " and resid 14 and name HG12)) ASSI { 364} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 14 and name HD1%) 2.900 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.88127E-02 ppm1 1.064 ppm2 0.744 CV 1 ASSI { 365} ( segid " " and resid 14 and name HG2%) ( segid " " and resid 46 and name HG1%) 2.200 0.600 0.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.58891E-02 ppm1 1.062 ppm2 0.684 CV 1 ASSI { 366} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 18 and name HG11)) 2.900 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.14912E-02 ppm1 1.061 ppm2 1.643 CV 1 OR { 366} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 18 and name HB )) ASSI { 368} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 3.603 ppm2 8.797 CV 1 ASSI { 369} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HN )) 2.200 0.600 0.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.37736E-02 ppm1 2.252 ppm2 8.794 CV 1 ASSI { 370} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.400 1.500 1.500 peak 370 spectrum 1 weight 0.10000E+01 volume 0.74164E-03 ppm1 3.599 ppm2 8.684 CV 1 ASSI { 371} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.14011E-02 ppm1 3.601 ppm2 8.468 CV 1 ASSI { 372} (( segid " " and resid 15 and name HA )) (( segid " " and resid 14 and name HN )) 3.900 1.900 1.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.14068E-02 ppm1 3.601 ppm2 8.214 CV 1 ASSI { 374} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.300 0.700 0.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.57455E-02 ppm1 1.178 ppm2 8.796 CV 1 ASSI { 375} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.800 1.800 1.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 1.002 ppm2 8.796 CV 1 ASSI { 377} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HN )) 4.200 2.200 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.72741E-03 ppm1 1.178 ppm2 8.203 CV 1 ASSI { 379} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 32 and name HE% ) 2.700 0.900 0.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.30021E-02 ppm1 1.178 ppm2 6.986 CV 1 ASSI { 381} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HN )) 3.300 1.400 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.10801E-02 ppm1 1.004 ppm2 6.465 CV 1 ASSI { 384} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 14 and name HN )) 5.000 3.100 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.61382E-03 ppm1 0.994 ppm2 8.220 CV 1 ASSI { 390} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 4.100 2.100 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 1.177 ppm2 8.683 CV 1 ASSI { 391} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HA )) 3.900 1.900 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.68549E-03 ppm1 1.180 ppm2 4.253 CV 1 ASSI { 392} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HA )) 3.100 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.25949E-02 ppm1 1.178 ppm2 4.056 CV 1 ASSI { 393} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.300 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.54261E-02 ppm1 1.178 ppm2 3.598 CV 1 ASSI { 396} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) 3.800 1.800 1.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 0.996 ppm2 4.066 CV 1 ASSI { 397} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.100 0.500 0.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.71914E-02 ppm1 1.178 ppm2 2.247 CV 1 ASSI { 398} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB )) 3.400 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.10790E-02 ppm1 1.178 ppm2 2.100 CV 1 ASSI { 403} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HG1%) 2.300 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.76296E-02 ppm1 3.603 ppm2 0.995 CV 1 ASSI { 404} (( segid " " and resid 15 and name HA )) ( segid " " and resid 14 and name HD1%) 4.700 2.800 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.74826E-03 ppm1 3.602 ppm2 0.772 CV 1 ASSI { 409} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 15 and name HN )) 3.900 1.900 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.19605E-02 ppm1 0.737 ppm2 8.812 CV 1 ASSI { 410} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 0.737 ppm2 8.196 CV 1 ASSI { 411} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 54 and name HZ )) 3.500 1.500 1.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.97776E-03 ppm1 0.739 ppm2 7.467 CV 1 OR { 411} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 54 and name HD% ) ASSI { 412} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 54 and name HE% ) 3.500 1.500 1.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 0.735 ppm2 7.134 CV 1 ASSI { 413} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.39341E-02 ppm1 0.738 ppm2 4.252 CV 1 ASSI { 414} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 13 and name HA )) 3.300 1.400 1.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.50263E-02 ppm1 0.738 ppm2 3.955 CV 1 ASSI { 416} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 53 and name HD1 )) 3.300 1.400 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 0.738 ppm2 2.880 CV 1 ASSI { 418} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB )) 2.400 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.50303E-02 ppm1 0.737 ppm2 2.097 CV 1 ASSI { 422} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG12)) 2.000 0.500 0.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.16211E-01 ppm1 0.739 ppm2 1.063 CV 1 OR { 422} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 14 and name HG2%) ASSI { 423} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.35901E-02 ppm1 3.109 ppm2 8.686 CV 1 ASSI { 424} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.400 0.700 0.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.36697E-02 ppm1 2.753 ppm2 8.686 CV 1 ASSI { 426} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.400 1.400 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21960E-02 ppm1 2.753 ppm2 8.403 CV 1 ASSI { 427} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HD22)) 4.000 2.000 2.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.20413E-02 ppm1 3.111 ppm2 8.058 CV 1 ASSI { 428} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HD22)) 4.200 2.200 1.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.94801E-03 ppm1 2.747 ppm2 8.057 CV 1 ASSI { 430} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HD21)) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.59197E-03 ppm1 2.748 ppm2 6.854 CV 1 ASSI { 432} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HA )) 2.900 1.000 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.13832E-02 ppm1 2.753 ppm2 4.678 CV 1 ASSI { 433} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 13 and name HA )) 2.900 1.100 1.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.18734E-02 ppm1 3.110 ppm2 3.942 CV 1 ASSI { 434} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.30064E-02 ppm1 2.753 ppm2 3.942 CV 1 ASSI { 435} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) 2.900 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.30876E-02 ppm1 4.679 ppm2 3.105 CV 1 ASSI { 436} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 15 and name HA )) 4.500 2.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.68283E-03 ppm1 3.112 ppm2 3.610 CV 1 ASSI { 437} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HA )) 4.800 2.800 1.200 peak 437 spectrum 1 weight 0.10000E+01 volume 0.37580E-03 ppm1 2.747 ppm2 3.610 CV 1 ASSI { 438} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 15 and name HB )) 3.600 1.600 1.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.75844E-03 ppm1 2.755 ppm2 2.261 CV 1 ASSI { 439} (( segid " " and resid 16 and name HB1 )) ( segid " " and resid 15 and name HG1%) 3.700 1.700 1.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.24649E-02 ppm1 3.112 ppm2 0.987 CV 1 ASSI { 440} (( segid " " and resid 16 and name HB2 )) ( segid " " and resid 15 and name HG1%) 3.300 1.400 1.400 peak 440 spectrum 1 weight 0.10000E+01 volume 0.14264E-02 ppm1 2.757 ppm2 0.986 CV 1 ASSI { 441} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 15 and name HB )) 4.500 2.500 1.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.66292E-03 ppm1 3.113 ppm2 2.264 CV 1 ASSI { 442} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 2.900 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.29387E-02 ppm1 2.266 ppm2 8.400 CV 1 ASSI { 444} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HN )) 3.800 1.800 1.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.11716E-02 ppm1 2.431 ppm2 8.401 CV 1 ASSI { 445} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HN )) 2.300 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.16322E-02 ppm1 2.260 ppm2 8.399 CV 1 ASSI { 446} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.600 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.39790E-02 ppm1 3.929 ppm2 8.400 CV 1 ASSI { 448} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 14 and name HA )) 4.600 2.700 1.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.80142E-03 ppm1 2.139 ppm2 3.822 CV 1 ASSI { 449} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 14 and name HA )) 4.200 2.200 1.800 peak 449 spectrum 1 weight 0.10000E+01 volume 0.11135E-02 ppm1 2.262 ppm2 3.820 CV 1 ASSI { 450} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HA )) 3.600 1.600 1.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.20445E-02 ppm1 2.430 ppm2 3.928 CV 1 ASSI { 451} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HA )) 3.400 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.22579E-02 ppm1 2.263 ppm2 3.928 CV 1 ASSI { 453} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.200 0.600 0.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.10460E-01 ppm1 3.931 ppm2 2.259 CV 1 OR { 453} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG2 )) ASSI { 454} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.800 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.37777E-02 ppm1 3.929 ppm2 2.135 CV 1 ASSI { 456} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HN )) 2.400 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.31058E-02 ppm1 1.631 ppm2 8.216 CV 1 ASSI { 457} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.27227E-02 ppm1 3.931 ppm2 8.220 CV 1 ASSI { 458} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HB )) 2.600 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.54923E-02 ppm1 3.931 ppm2 1.637 CV 1 OR { 458} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HG11)) ASSI { 459} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HG12)) 2.500 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.43392E-02 ppm1 3.931 ppm2 1.308 CV 1 ASSI { 460} (( segid " " and resid 18 and name HA )) ( segid " " and resid 18 and name HG2%) 2.300 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.73478E-02 ppm1 3.932 ppm2 0.945 CV 1 ASSI { 463} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 18 and name HA )) 3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.25074E-02 ppm1 1.657 ppm2 3.929 CV 1 ASSI { 464} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 18 and name HN )) 2.900 1.100 1.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.24043E-02 ppm1 1.656 ppm2 8.219 CV 1 ASSI { 465} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.15836E-02 ppm1 1.315 ppm2 8.219 CV 1 ASSI { 467} (( segid " " and resid 18 and name HB )) (( segid " " and resid 19 and name HN )) 2.400 0.700 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.21290E-02 ppm1 1.628 ppm2 8.469 CV 1 ASSI { 471} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 15 and name HA )) 3.500 1.500 1.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.28971E-02 ppm1 0.956 ppm2 3.611 CV 1 ASSI { 472} (( segid " " and resid 18 and name HB )) (( segid " " and resid 15 and name HA )) 2.800 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.16756E-02 ppm1 1.630 ppm2 3.599 CV 1 ASSI { 473} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.17627E-02 ppm1 1.625 ppm2 3.935 CV 1 ASSI { 474} (( segid " " and resid 18 and name HG11)) (( segid " " and resid 17 and name HB2 )) 4.600 2.700 1.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.24319E-03 ppm1 1.648 ppm2 2.136 CV 1 ASSI { 475} (( segid " " and resid 18 and name HG12)) (( segid " " and resid 17 and name HB2 )) 3.400 1.500 1.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.73219E-03 ppm1 1.310 ppm2 2.135 CV 1 ASSI { 476} (( segid " " and resid 18 and name HG11)) ( segid " " and resid 18 and name HD1%) 2.400 0.700 0.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.35979E-02 ppm1 1.655 ppm2 0.780 CV 1 ASSI { 480} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HA )) 4.400 2.500 1.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.77380E-03 ppm1 0.784 ppm2 4.065 CV 1 ASSI { 481} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 481 spectrum 1 weight 0.10000E+01 volume 0.24260E-02 ppm1 0.781 ppm2 3.933 CV 1 ASSI { 482} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 15 and name HA )) 4.300 2.300 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.66969E-03 ppm1 0.783 ppm2 3.608 CV 1 ASSI { 483} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.42634E-02 ppm1 0.781 ppm2 3.430 CV 1 ASSI { 485} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HB1 )) 2.500 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.34808E-02 ppm1 0.782 ppm2 2.290 CV 1 OR { 485} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HG2 )) ASSI { 486} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.34512E-02 ppm1 0.782 ppm2 2.158 CV 1 ASSI { 487} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HG11)) 2.200 0.600 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.82040E-02 ppm1 0.781 ppm2 1.643 CV 1 OR { 487} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HB )) ASSI { 489} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HG12)) 2.300 0.700 0.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.53259E-02 ppm1 0.781 ppm2 1.304 CV 1 ASSI { 490} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 15 and name HG2%) 4.800 2.900 1.200 peak 490 spectrum 1 weight 0.10000E+01 volume 0.55688E-03 ppm1 0.779 ppm2 1.192 CV 1 ASSI { 491} ( segid " " and resid 18 and name HD1%) ( segid " " and resid 14 and name HG2%) 2.300 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.81216E-02 ppm1 0.782 ppm2 1.050 CV 1 OR { 491} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 14 and name HG12)) ASSI { 492} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 18 and name HN )) 3.600 1.600 1.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.14489E-02 ppm1 0.781 ppm2 8.218 CV 1 ASSI { 493} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 46 and name HN )) 3.600 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.93927E-03 ppm1 0.783 ppm2 8.109 CV 1 ASSI { 495} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 19 and name HN )) 2.300 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.53060E-02 ppm1 1.542 ppm2 8.463 CV 1 ASSI { 496} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 18 and name HN )) 4.500 2.600 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.68745E-03 ppm1 1.541 ppm2 8.228 CV 1 ASSI { 497} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 20 and name HN )) 3.000 1.100 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.14628E-02 ppm1 1.542 ppm2 7.835 CV 1 ASSI { 498} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HN )) 3.000 1.100 1.100 peak 498 spectrum 1 weight 0.10000E+01 volume 0.18459E-02 ppm1 1.543 ppm2 6.463 CV 1 ASSI { 499} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 19 and name HA )) 2.200 0.600 0.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.98902E-02 ppm1 1.542 ppm2 4.825 CV 1 ASSI { 502} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.18952E-02 ppm1 1.543 ppm2 3.608 CV 1 ASSI { 503} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 18 and name HG2%) 2.200 2.200 3.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.15125E-01 ppm1 1.542 ppm2 0.953 CV 1 ASSI { 504} ( segid " " and resid 19 and name HB% ) ( segid " " and resid 21 and name HD1%) 3.300 1.400 1.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.26077E-02 ppm1 1.541 ppm2 0.834 CV 1 ASSI { 505} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HG11)) 2.300 0.600 0.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.58216E-02 ppm1 1.540 ppm2 1.287 CV 1 OR { 505} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HG12)) ASSI { 506} (( segid " " and resid 20 and name HA1 )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.41885E-02 ppm1 4.064 ppm2 7.835 CV 1 ASSI { 507} (( segid " " and resid 20 and name HA1 )) (( segid " " and resid 19 and name HN )) 4.800 2.900 1.200 peak 507 spectrum 1 weight 0.10000E+01 volume 0.63070E-03 ppm1 4.071 ppm2 8.464 CV 1 ASSI { 508} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 19 and name HN )) 4.800 2.900 1.200 peak 508 spectrum 1 weight 0.10000E+01 volume 0.43583E-03 ppm1 3.942 ppm2 8.470 CV 1 ASSI { 510} (( segid " " and resid 20 and name HA2 )) (( segid " " and resid 21 and name HN )) 3.400 1.400 1.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 3.954 ppm2 6.466 CV 1 ASSI { 512} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 2.600 0.900 0.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 4.318 ppm2 6.471 CV 1 ASSI { 513} (( segid " " and resid 21 and name HG11)) (( segid " " and resid 21 and name HN )) 2.200 0.600 0.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.37449E-02 ppm1 1.312 ppm2 6.466 CV 1 OR { 513} (( segid " " and resid 21 and name HG12)) (( segid " " and resid 21 and name HN )) ASSI { 522} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB )) 2.600 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.28778E-02 ppm1 4.317 ppm2 1.610 CV 1 ASSI { 523} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG11)) 3.000 1.100 1.100 peak 523 spectrum 1 weight 0.10000E+01 volume 0.25878E-02 ppm1 4.319 ppm2 1.307 CV 1 OR { 523} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HG12)) ASSI { 524} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HG2%) 2.500 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.48821E-02 ppm1 4.318 ppm2 1.009 CV 1 ASSI { 525} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HD1%) 2.400 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.38723E-02 ppm1 4.319 ppm2 0.841 CV 1 ASSI { 526} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HG1 )) 4.500 2.500 1.500 peak 526 spectrum 1 weight 0.10000E+01 volume 0.11306E-02 ppm1 4.323 ppm2 2.134 CV 1 ASSI { 527} (( segid " " and resid 21 and name HG12)) ( segid " " and resid 21 and name HG2%) 2.400 0.700 0.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.65511E-02 ppm1 1.311 ppm2 1.007 CV 1 OR { 527} (( segid " " and resid 21 and name HG11)) ( segid " " and resid 21 and name HG2%) ASSI { 528} (( segid " " and resid 21 and name HG11)) ( segid " " and resid 21 and name HD1%) 2.200 0.600 0.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.65861E-02 ppm1 1.311 ppm2 0.842 CV 1 OR { 528} (( segid " " and resid 21 and name HG12)) ( segid " " and resid 21 and name HD1%) ASSI { 529} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 25 and name HB1 )) 2.600 0.800 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.14717E-02 ppm1 1.012 ppm2 2.686 CV 1 ASSI { 530} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 25 and name HB2 )) 3.800 1.800 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.11826E-02 ppm1 1.014 ppm2 2.600 CV 1 ASSI { 531} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 25 and name HN )) 4.700 2.800 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.41176E-03 ppm1 1.015 ppm2 7.745 CV 1 ASSI { 532} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HN )) 3.800 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.10228E-02 ppm1 0.845 ppm2 6.464 CV 1 ASSI { 534} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 20 and name HA1 )) 2.500 2.500 3.500 peak 534 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 0.845 ppm2 4.053 CV 1 ASSI { 535} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 22 and name HD2 )) 4.300 2.300 1.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.60633E-03 ppm1 0.851 ppm2 3.701 CV 1 ASSI { 537} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) 2.200 0.600 0.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.47734E-02 ppm1 2.352 ppm2 4.306 CV 1 ASSI { 538} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) 3.000 1.100 1.100 peak 538 spectrum 1 weight 0.10000E+01 volume 0.22818E-02 ppm1 1.762 ppm2 4.306 CV 1 ASSI { 541} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HG2 )) 3.700 1.700 1.700 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19924E-02 ppm1 4.304 ppm2 1.946 CV 1 ASSI { 542} (( segid " " and resid 22 and name HA )) ( segid " " and resid 21 and name HG2%) 3.600 1.600 1.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.20305E-02 ppm1 4.306 ppm2 0.997 CV 1 ASSI { 543} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HD1 )) 4.200 2.200 1.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.92254E-03 ppm1 2.355 ppm2 4.040 CV 1 ASSI { 544} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HD2 )) 4.100 2.100 1.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.10707E-02 ppm1 2.351 ppm2 3.697 CV 1 ASSI { 548} (( segid " " and resid 22 and name HA )) (( segid " " and resid 24 and name HN )) 3.800 1.800 1.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.10026E-02 ppm1 4.305 ppm2 9.252 CV 1 ASSI { 549} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 1.900 0.400 0.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.11438E-01 ppm1 4.305 ppm2 8.514 CV 1 ASSI { 551} (( segid " " and resid 22 and name HA )) (( segid " " and resid 16 and name HD22)) 2.900 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.22479E-02 ppm1 4.303 ppm2 8.059 CV 1 ASSI { 552} (( segid " " and resid 22 and name HA )) (( segid " " and resid 16 and name HD21)) 2.900 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.14388E-02 ppm1 4.304 ppm2 6.848 CV 1 ASSI { 553} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 24 and name HN )) 3.300 1.400 1.400 peak 553 spectrum 1 weight 0.10000E+01 volume 0.79652E-03 ppm1 2.349 ppm2 9.250 CV 1 ASSI { 554} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) 3.100 1.200 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.13683E-02 ppm1 2.352 ppm2 8.514 CV 1 ASSI { 555} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 25 and name HN )) 4.600 2.700 1.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.52538E-03 ppm1 2.356 ppm2 7.746 CV 1 ASSI { 556} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 556 spectrum 1 weight 0.10000E+01 volume 0.77573E-03 ppm1 1.758 ppm2 9.247 CV 1 ASSI { 557} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) 3.900 1.900 1.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.67906E-03 ppm1 1.770 ppm2 8.521 CV 1 ASSI { 558} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 25 and name HN )) 3.300 1.300 1.300 peak 558 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 1.767 ppm2 7.734 CV 1 ASSI { 559} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HA )) 2.900 1.100 1.100 peak 559 spectrum 1 weight 0.10000E+01 volume 0.17218E-02 ppm1 2.135 ppm2 4.309 CV 1 ASSI { 560} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HD1 )) 2.300 0.700 0.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.32776E-02 ppm1 2.136 ppm2 4.043 CV 1 ASSI { 564} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HD2 )) 2.400 0.700 0.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.22357E-02 ppm1 1.950 ppm2 3.700 CV 1 ASSI { 565} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HA )) 2.300 2.300 3.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.90668E-02 ppm1 4.045 ppm2 4.316 CV 1 ASSI { 566} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HA )) 2.700 2.700 3.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.61388E-02 ppm1 3.701 ppm2 4.316 CV 1 ASSI { 567} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 21 and name HG2%) 4.900 3.000 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.98028E-03 ppm1 2.347 ppm2 0.996 CV 1 ASSI { 568} (( segid " " and resid 22 and name HB2 )) ( segid " " and resid 21 and name HG2%) 4.400 2.500 1.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.42865E-03 ppm1 1.765 ppm2 1.000 CV 1 ASSI { 570} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HG1 )) 2.900 1.000 1.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.36650E-02 ppm1 3.701 ppm2 2.134 CV 1 ASSI { 572} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 22 and name HB2 )) 2.900 1.100 1.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.17930E-02 ppm1 3.699 ppm2 1.760 CV 1 ASSI { 575} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HG2 )) 2.800 1.000 1.000 peak 575 spectrum 1 weight 0.10000E+01 volume 0.32327E-02 ppm1 4.043 ppm2 1.946 CV 1 ASSI { 576} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.11613E-02 ppm1 4.046 ppm2 1.760 CV 1 ASSI { 577} (( segid " " and resid 22 and name HD1 )) (( segid " " and resid 21 and name HB )) 5.000 3.100 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.49283E-03 ppm1 4.040 ppm2 1.598 CV 1 ASSI { 578} (( segid " " and resid 22 and name HD2 )) (( segid " " and resid 21 and name HB )) 4.200 2.300 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.61644E-03 ppm1 3.708 ppm2 1.598 CV 1 ASSI { 579} (( segid " " and resid 22 and name HD1 )) ( segid " " and resid 21 and name HG2%) 3.600 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.28019E-02 ppm1 4.045 ppm2 1.006 CV 1 ASSI { 580} (( segid " " and resid 22 and name HD1 )) ( segid " " and resid 21 and name HD1%) 4.500 2.600 1.500 peak 580 spectrum 1 weight 0.10000E+01 volume 0.73094E-03 ppm1 4.048 ppm2 0.844 CV 1 ASSI { 581} (( segid " " and resid 22 and name HD2 )) ( segid " " and resid 21 and name HG2%) 2.100 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.39416E-02 ppm1 3.700 ppm2 1.010 CV 1 ASSI { 583} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HN )) 2.400 0.700 0.700 peak 583 spectrum 1 weight 0.10000E+01 volume 0.30727E-02 ppm1 3.616 ppm2 8.514 CV 1 ASSI { 584} (( segid " " and resid 23 and name HB )) (( segid " " and resid 23 and name HN )) 3.200 1.300 1.300 peak 584 spectrum 1 weight 0.10000E+01 volume 0.37024E-02 ppm1 2.042 ppm2 8.515 CV 1 ASSI { 585} (( segid " " and resid 23 and name HB )) (( segid " " and resid 24 and name HN )) 3.300 1.400 1.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.20127E-02 ppm1 2.041 ppm2 9.249 CV 1 ASSI { 586} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 3.200 1.300 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.95072E-03 ppm1 3.618 ppm2 9.244 CV 1 ASSI { 587} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HN )) 2.100 0.600 0.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.70325E-02 ppm1 1.004 ppm2 8.516 CV 1 ASSI { 588} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 16 and name HD22)) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.85486E-03 ppm1 1.001 ppm2 8.062 CV 1 ASSI { 589} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HN )) 2.400 0.700 0.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.42125E-02 ppm1 0.969 ppm2 8.514 CV 1 ASSI { 590} ( segid " " and resid 23 and name HG1%) (( segid " " and resid 23 and name HA )) 2.200 0.600 0.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.87868E-02 ppm1 0.971 ppm2 3.613 CV 1 ASSI { 595} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB )) 2.300 0.600 0.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.51418E-02 ppm1 3.614 ppm2 2.035 CV 1 ASSI { 596} (( segid " " and resid 23 and name HA )) ( segid " " and resid 12 and name HB% ) 2.200 0.600 0.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.40630E-02 ppm1 3.615 ppm2 1.685 CV 1 ASSI { 597} (( segid " " and resid 23 and name HB )) ( segid " " and resid 12 and name HB% ) 3.200 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.20253E-02 ppm1 2.042 ppm2 1.682 CV 1 ASSI { 598} ( segid " " and resid 23 and name HG1%) ( segid " " and resid 12 and name HB% ) 3.500 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.27856E-02 ppm1 1.004 ppm2 1.677 CV 1 OR { 598} ( segid " " and resid 23 and name HG2%) ( segid " " and resid 12 and name HB% ) ASSI { 599} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.31890E-02 ppm1 1.004 ppm2 9.248 CV 1 ASSI { 601} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 22 and name HA )) 4.400 2.400 1.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.14494E-02 ppm1 1.003 ppm2 4.298 CV 1 ASSI { 603} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 16 and name HB2 )) 2.400 2.400 3.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.16665E-02 ppm1 1.005 ppm2 2.753 CV 1 ASSI { 604} ( segid " " and resid 23 and name HG2%) (( segid " " and resid 23 and name HB )) 2.000 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.14892E-01 ppm1 1.004 ppm2 2.041 CV 1 ASSI { 605} (( segid " " and resid 23 and name HA )) (( segid " " and resid 16 and name HB1 )) 4.200 2.200 1.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.98319E-03 ppm1 3.616 ppm2 3.109 CV 1 ASSI { 607} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HN )) 3.100 1.200 1.200 peak 607 spectrum 1 weight 0.10000E+01 volume 0.30220E-02 ppm1 2.121 ppm2 9.236 CV 1 ASSI { 608} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.41057E-02 ppm1 4.043 ppm2 9.249 CV 1 ASSI { 609} (( segid " " and resid 24 and name HB1 )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.51440E-02 ppm1 2.004 ppm2 9.247 CV 1 OR { 609} (( segid " " and resid 24 and name HB2 )) (( segid " " and resid 24 and name HN )) ASSI { 610} (( segid " " and resid 24 and name HG1 )) (( segid " " and resid 24 and name HN )) 2.800 1.000 1.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.26224E-02 ppm1 2.288 ppm2 9.248 CV 1 OR { 610} (( segid " " and resid 24 and name HG2 )) (( segid " " and resid 24 and name HN )) ASSI { 613} (( segid " " and resid 24 and name HA )) ( segid " " and resid 23 and name HG1%) 2.400 2.400 3.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.16233E-02 ppm1 4.044 ppm2 0.976 CV 1 ASSI { 614} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB2 )) 2.200 0.600 0.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.13395E-01 ppm1 4.042 ppm2 1.998 CV 1 OR { 614} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB1 )) ASSI { 615} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG1 )) 2.800 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.55701E-02 ppm1 4.042 ppm2 2.285 CV 1 OR { 615} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HG2 )) ASSI { 620} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.800 1.000 1.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.28696E-02 ppm1 2.595 ppm2 7.735 CV 1 ASSI { 621} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.900 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.19284E-02 ppm1 4.604 ppm2 7.736 CV 1 ASSI { 624} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 22 and name HD2 )) 3.800 1.800 1.800 peak 624 spectrum 1 weight 0.10000E+01 volume 0.65206E-03 ppm1 2.599 ppm2 3.700 CV 1 ASSI { 625} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 3.100 1.200 1.200 peak 625 spectrum 1 weight 0.10000E+01 volume 0.21594E-02 ppm1 2.689 ppm2 4.591 CV 1 ASSI { 626} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.600 0.900 0.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.22995E-02 ppm1 2.602 ppm2 4.595 CV 1 ASSI { 629} (( segid " " and resid 25 and name HB1 )) ( segid " " and resid 23 and name HG2%) 2.600 2.600 3.400 peak 629 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 2.681 ppm2 1.015 CV 1 ASSI { 630} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 23 and name HG2%) 2.400 2.400 3.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 2.597 ppm2 1.015 CV 1 ASSI { 632} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HN )) 2.700 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.20853E-02 ppm1 3.542 ppm2 7.492 CV 1 ASSI { 634} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 26 and name HN )) 3.600 1.600 1.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.18200E-02 ppm1 0.742 ppm2 7.491 CV 1 ASSI { 635} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 27 and name HN )) 3.300 1.400 1.400 peak 635 spectrum 1 weight 0.10000E+01 volume 0.16207E-02 ppm1 0.744 ppm2 6.369 CV 1 ASSI { 636} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 1.900 0.500 0.500 peak 636 spectrum 1 weight 0.10000E+01 volume 0.85595E-02 ppm1 3.541 ppm2 6.369 CV 1 ASSI { 637} (( segid " " and resid 26 and name HB )) ( segid " " and resid 26 and name HG2%) 2.100 0.600 0.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.68586E-02 ppm1 2.340 ppm2 0.926 CV 1 ASSI { 638} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HG2%) 2.400 0.700 0.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.46233E-02 ppm1 3.542 ppm2 0.919 CV 1 ASSI { 639} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HG1%) 2.200 0.600 0.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.64569E-02 ppm1 3.541 ppm2 0.749 CV 1 ASSI { 641} (( segid " " and resid 26 and name HA )) ( segid " " and resid 69 and name HG1%) 3.700 1.700 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.97623E-03 ppm1 3.539 ppm2 0.455 CV 1 ASSI { 642} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB )) 2.900 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.15803E-02 ppm1 3.541 ppm2 2.340 CV 1 ASSI { 645} (( segid " " and resid 26 and name HA )) ( segid " " and resid 12 and name HB% ) 5.000 3.100 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.41710E-03 ppm1 3.540 ppm2 1.689 CV 1 ASSI { 649} (( segid " " and resid 26 and name HB )) ( segid " " and resid 12 and name HB% ) 2.200 0.600 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.54414E-02 ppm1 2.346 ppm2 1.681 CV 1 ASSI { 651} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 26 and name HB )) 2.000 0.500 0.500 peak 651 spectrum 1 weight 0.10000E+01 volume 0.91270E-02 ppm1 0.743 ppm2 2.337 CV 1 ASSI { 653} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 11 and name HB1 )) 2.600 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.88842E-03 ppm1 0.745 ppm2 2.106 CV 1 ASSI { 655} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 30 and name HG1 )) 4.900 3.000 1.100 peak 655 spectrum 1 weight 0.10000E+01 volume 0.33329E-03 ppm1 0.745 ppm2 1.791 CV 1 ASSI { 656} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 12 and name HB% ) 3.200 1.300 1.300 peak 656 spectrum 1 weight 0.10000E+01 volume 0.50007E-02 ppm1 0.743 ppm2 1.685 CV 1 ASSI { 660} ( segid " " and resid 26 and name HG1%) (( segid " " and resid 12 and name HN )) 3.600 1.600 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 0.743 ppm2 8.911 CV 1 ASSI { 662} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 15 and name HG2%) 3.100 1.200 1.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.16903E-02 ppm1 0.741 ppm2 1.169 CV 1 ASSI { 663} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 69 and name HG1%) 2.100 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.71283E-02 ppm1 0.743 ppm2 0.457 CV 1 ASSI { 664} ( segid " " and resid 26 and name HG1%) ( segid " " and resid 26 and name HG2%) 2.000 0.500 0.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13052E-01 ppm1 0.742 ppm2 0.926 CV 1 ASSI { 668} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 3.500 1.500 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 1.532 ppm2 4.627 CV 1 ASSI { 669} (( segid " " and resid 27 and name HG1 )) (( segid " " and resid 27 and name HA )) 2.900 1.100 1.100 peak 669 spectrum 1 weight 0.10000E+01 volume 0.22393E-02 ppm1 1.342 ppm2 4.626 CV 1 OR { 669} (( segid " " and resid 27 and name HG2 )) (( segid " " and resid 27 and name HA )) ASSI { 670} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) 2.400 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.30245E-02 ppm1 4.627 ppm2 2.059 CV 1 ASSI { 672} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.700 1.700 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.89644E-03 ppm1 1.540 ppm2 8.454 CV 1 ASSI { 677} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.17798E-02 ppm1 3.583 ppm2 8.451 CV 1 ASSI { 678} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HN )) 3.500 1.500 1.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.24829E-02 ppm1 1.734 ppm2 8.448 CV 1 ASSI { 680} (( segid " " and resid 28 and name HA )) (( segid " " and resid 69 and name HN )) 5.400 3.600 0.600 peak 680 spectrum 1 weight 0.10000E+01 volume 0.52492E-03 ppm1 3.583 ppm2 8.125 CV 1 ASSI { 681} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HN )) 3.900 1.900 1.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.59247E-03 ppm1 3.588 ppm2 7.509 CV 1 ASSI { 682} (( segid " " and resid 28 and name HA )) (( segid " " and resid 70 and name HN )) 3.200 1.200 1.200 peak 682 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 3.582 ppm2 9.411 CV 1 ASSI { 683} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HN )) 2.600 0.800 0.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.26932E-02 ppm1 1.770 ppm2 8.455 CV 1 ASSI { 685} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.11763E-02 ppm1 0.810 ppm2 9.411 CV 1 ASSI { 686} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 73 and name HN )) 4.600 2.600 1.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.43180E-03 ppm1 0.811 ppm2 8.635 CV 1 ASSI { 687} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 4 and name HE22)) 3.700 1.700 1.700 peak 687 spectrum 1 weight 0.10000E+01 volume 0.96193E-03 ppm1 0.811 ppm2 7.508 CV 1 ASSI { 688} (( segid " " and resid 28 and name HG )) (( segid " " and resid 28 and name HA )) 3.100 1.200 1.200 peak 688 spectrum 1 weight 0.10000E+01 volume 0.12379E-02 ppm1 1.769 ppm2 3.578 CV 1 ASSI { 689} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 70 and name HA2 )) 3.700 1.700 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.42119E-03 ppm1 1.737 ppm2 3.800 CV 1 ASSI { 690} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 70 and name HA2 )) 5.000 3.100 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.40983E-03 ppm1 1.455 ppm2 3.782 CV 1 ASSI { 691} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HA )) 2.600 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 1.736 ppm2 3.581 CV 1 ASSI { 693} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 70 and name HA1 )) 3.700 3.700 2.300 peak 693 spectrum 1 weight 0.10000E+01 volume 0.61953E-03 ppm1 1.736 ppm2 4.016 CV 1 ASSI { 694} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 70 and name HA1 )) 4.600 2.700 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.83532E-03 ppm1 1.466 ppm2 4.010 CV 1 ASSI { 699} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HA )) 4.100 2.100 1.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.44710E-03 ppm1 3.580 ppm2 4.630 CV 1 ASSI { 700} (( segid " " and resid 28 and name HA )) (( segid " " and resid 68 and name HB )) 6.000 4.700 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.27014E-03 ppm1 3.584 ppm2 4.334 CV 1 ASSI { 701} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 73 and name HB )) 3.500 1.500 1.500 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 0.811 ppm2 4.183 CV 1 ASSI { 703} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 70 and name HA2 )) 2.700 0.900 0.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.45543E-02 ppm1 0.811 ppm2 3.795 CV 1 ASSI { 705} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HA )) 2.900 1.100 1.100 peak 705 spectrum 1 weight 0.10000E+01 volume 0.53709E-02 ppm1 0.812 ppm2 3.580 CV 1 ASSI { 707} (( segid " " and resid 28 and name HA )) (( segid " " and resid 27 and name HB1 )) 4.600 2.700 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.35741E-03 ppm1 3.582 ppm2 2.058 CV 1 ASSI { 708} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 4 and name HG1 )) 3.000 1.200 1.200 peak 708 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 0.811 ppm2 2.263 CV 1 ASSI { 709} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HG )) 2.400 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.49542E-02 ppm1 0.813 ppm2 1.755 CV 1 OR { 709} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HB1 )) ASSI { 711} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 28 and name HB2 )) 2.700 0.900 0.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.38688E-02 ppm1 0.810 ppm2 1.466 CV 1 ASSI { 712} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB2 )) 2.600 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.37009E-02 ppm1 3.583 ppm2 1.463 CV 1 ASSI { 713} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HB1 )) 2.400 0.700 0.700 peak 713 spectrum 1 weight 0.10000E+01 volume 0.36260E-02 ppm1 3.583 ppm2 1.745 CV 1 OR { 713} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HG )) ASSI { 715} (( segid " " and resid 28 and name HA )) ( segid " " and resid 28 and name HD2%) 2.800 1.000 1.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.11512E-02 ppm1 3.584 ppm2 0.913 CV 1 ASSI { 717} (( segid " " and resid 28 and name HA )) ( segid " " and resid 69 and name HG2%) 2.000 0.500 0.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.46180E-02 ppm1 3.582 ppm2 0.654 CV 1 ASSI { 718} (( segid " " and resid 28 and name HA )) ( segid " " and resid 69 and name HG1%) 4.600 2.700 1.400 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12814E-02 ppm1 3.584 ppm2 0.455 CV 1 ASSI { 721} ( segid " " and resid 28 and name HD1%) ( segid " " and resid 69 and name HG2%) 3.800 1.800 1.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.32798E-02 ppm1 0.811 ppm2 0.688 CV 1 ASSI { 722} ( segid " " and resid 28 and name HD1%) (( segid " " and resid 4 and name HB2 )) 4.100 2.100 1.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.76168E-03 ppm1 0.812 ppm2 2.016 CV 1 ASSI { 725} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 2.600 0.800 0.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.48093E-02 ppm1 2.779 ppm2 4.485 CV 1 ASSI { 726} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.700 0.900 0.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.50057E-02 ppm1 2.596 ppm2 4.482 CV 1 ASSI { 727} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.800 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.32483E-02 ppm1 4.486 ppm2 8.393 CV 1 ASSI { 728} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HN )) 2.900 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.19694E-02 ppm1 4.484 ppm2 7.508 CV 1 ASSI { 733} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.75703E-03 ppm1 2.052 ppm2 6.371 CV 1 ASSI { 734} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 27 and name HN )) 3.400 1.400 1.400 peak 734 spectrum 1 weight 0.10000E+01 volume 0.61098E-03 ppm1 1.370 ppm2 6.366 CV 1 ASSI { 735} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.800 1.000 1.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.18120E-02 ppm1 4.407 ppm2 7.503 CV 1 ASSI { 738} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HN )) 2.000 0.500 0.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.76118E-02 ppm1 4.409 ppm2 10.186 CV 1 ASSI { 739} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HA )) 3.400 1.400 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.19921E-02 ppm1 1.562 ppm2 4.407 CV 1 ASSI { 740} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.16638E-02 ppm1 1.472 ppm2 4.406 CV 1 ASSI { 742} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HE1 )) 2.800 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.87743E-03 ppm1 2.048 ppm2 3.028 CV 1 ASSI { 743} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.58026E-03 ppm1 2.057 ppm2 2.713 CV 1 ASSI { 745} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 35 and name HB2 )) 4.400 2.400 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.68727E-03 ppm1 1.372 ppm2 2.726 CV 1 ASSI { 746} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 27 and name HN )) 2.100 0.500 0.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.17438E-02 ppm1 1.801 ppm2 6.369 CV 1 ASSI { 747} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HN )) 4.500 2.500 1.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.73652E-03 ppm1 1.558 ppm2 7.507 CV 1 ASSI { 748} (( segid " " and resid 66 and name HG )) (( segid " " and resid 66 and name HA )) 3.700 1.700 1.700 peak 748 spectrum 1 weight 0.10000E+01 volume 0.65109E-03 ppm1 1.795 ppm2 4.504 CV 1 ASSI { 749} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HA )) 3.900 1.900 1.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.81915E-03 ppm1 1.795 ppm2 4.410 CV 1 ASSI { 751} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 751 spectrum 1 weight 0.10000E+01 volume 0.11372E-02 ppm1 1.348 ppm2 4.407 CV 1 ASSI { 752} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 26 and name HA )) 3.700 1.700 1.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.47725E-03 ppm1 1.802 ppm2 3.542 CV 1 ASSI { 754} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.11118E-02 ppm1 2.058 ppm2 4.405 CV 1 ASSI { 755} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.400 2.400 1.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.78853E-03 ppm1 4.407 ppm2 3.851 CV 1 ASSI { 756} (( segid " " and resid 30 and name HA )) (( segid " " and resid 35 and name HB2 )) 3.600 1.600 1.600 peak 756 spectrum 1 weight 0.10000E+01 volume 0.67409E-03 ppm1 4.410 ppm2 2.717 CV 1 ASSI { 757} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HE1 )) 2.700 0.900 0.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.16237E-02 ppm1 1.471 ppm2 3.019 CV 1 ASSI { 758} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HE2 )) 3.400 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12619E-02 ppm1 1.471 ppm2 2.961 CV 1 ASSI { 759} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HE2 )) 2.700 0.900 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.17156E-02 ppm1 1.559 ppm2 2.960 CV 1 ASSI { 760} (( segid " " and resid 30 and name HD1 )) (( segid " " and resid 30 and name HE1 )) 3.200 1.300 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.19280E-02 ppm1 1.563 ppm2 3.019 CV 1 ASSI { 761} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HE2 )) 2.800 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.13456E-02 ppm1 1.799 ppm2 2.960 CV 1 ASSI { 762} (( segid " " and resid 30 and name HG1 )) (( segid " " and resid 30 and name HE1 )) 3.100 1.200 1.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.15261E-02 ppm1 1.799 ppm2 3.023 CV 1 ASSI { 763} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HE1 )) 3.000 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.24491E-02 ppm1 1.351 ppm2 3.026 CV 1 ASSI { 764} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HE2 )) 3.400 1.400 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.13906E-02 ppm1 1.348 ppm2 2.953 CV 1 ASSI { 765} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HE1 )) 3.000 1.100 1.100 peak 765 spectrum 1 weight 0.10000E+01 volume 0.14214E-02 ppm1 4.408 ppm2 3.028 CV 1 ASSI { 768} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 35 and name HB2 )) 4.000 2.000 2.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.79415E-03 ppm1 1.469 ppm2 2.717 CV 1 ASSI { 771} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 69 and name HG1%) 3.600 1.600 1.600 peak 771 spectrum 1 weight 0.10000E+01 volume 0.13290E-02 ppm1 2.053 ppm2 0.449 CV 1 ASSI { 775} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 35 and name HB2 )) 5.100 3.300 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.37511E-03 ppm1 1.334 ppm2 2.726 CV 1 ASSI { 776} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 26 and name HA )) 4.400 2.400 1.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.39010E-03 ppm1 2.052 ppm2 3.534 CV 1 ASSI { 788} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.000 1.100 1.100 peak 788 spectrum 1 weight 0.10000E+01 volume 0.23056E-02 ppm1 4.088 ppm2 10.192 CV 1 ASSI { 789} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.300 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.35114E-02 ppm1 3.856 ppm2 10.188 CV 1 ASSI { 790} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 2.600 0.900 0.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.19215E-02 ppm1 4.096 ppm2 4.919 CV 1 ASSI { 791} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) 3.100 1.200 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.93724E-03 ppm1 3.850 ppm2 4.915 CV 1 ASSI { 794} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 2.200 0.600 0.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.38947E-02 ppm1 4.922 ppm2 8.176 CV 1 ASSI { 795} (( segid " " and resid 31 and name HA )) (( segid " " and resid 68 and name HA )) 2.200 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.59509E-02 ppm1 4.919 ppm2 5.235 CV 1 ASSI { 797} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 68 and name HA )) 5.100 3.300 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.35688E-03 ppm1 3.868 ppm2 5.209 CV 1 ASSI { 798} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 32 and name HN )) 4.400 2.400 1.600 peak 798 spectrum 1 weight 0.10000E+01 volume 0.49520E-03 ppm1 3.850 ppm2 8.177 CV 1 ASSI { 801} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 34 and name HB2 )) 3.600 1.600 1.600 peak 801 spectrum 1 weight 0.10000E+01 volume 0.14850E-02 ppm1 4.090 ppm2 2.434 CV 1 ASSI { 802} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 34 and name HB2 )) 3.700 1.700 1.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.21415E-02 ppm1 3.854 ppm2 2.441 CV 1 ASSI { 805} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 35 and name HB1 )) 4.800 2.900 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.67456E-03 ppm1 3.858 ppm2 3.045 CV 1 ASSI { 807} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 68 and name HG2%) 3.700 1.800 1.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.74014E-03 ppm1 3.860 ppm2 1.049 CV 1 ASSI { 810} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 32 and name HD% ) 2.700 0.900 0.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.29630E-02 ppm1 3.169 ppm2 7.174 CV 1 ASSI { 811} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 32 and name HD% ) 2.600 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.21593E-02 ppm1 3.096 ppm2 7.174 CV 1 ASSI { 812} (( segid " " and resid 32 and name HA )) ( segid " " and resid 32 and name HD% ) 2.500 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.29747E-02 ppm1 4.077 ppm2 7.176 CV 1 ASSI { 815} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 3.400 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.91011E-03 ppm1 4.075 ppm2 8.607 CV 1 ASSI { 816} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HN )) 3.900 1.900 1.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11409E-02 ppm1 3.168 ppm2 8.172 CV 1 ASSI { 821} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 67 and name HA )) 3.700 1.800 1.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.47684E-03 ppm1 7.181 ppm2 4.478 CV 1 ASSI { 828} (( segid " " and resid 32 and name HB2 )) ( segid " " and resid 43 and name HE% ) 5.500 3.800 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.12423E-03 ppm1 3.095 ppm2 1.434 CV 1 ASSI { 831} (( segid " " and resid 32 and name HA )) ( segid " " and resid 36 and name HD1%) 2.200 0.600 0.600 peak 831 spectrum 1 weight 0.10000E+01 volume 0.43748E-02 ppm1 4.077 ppm2 0.617 CV 1 ASSI { 834} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HN )) 3.400 1.400 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.20140E-02 ppm1 4.180 ppm2 8.594 CV 1 ASSI { 835} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HA )) 2.400 0.700 0.700 peak 835 spectrum 1 weight 0.10000E+01 volume 0.50722E-02 ppm1 4.181 ppm2 4.485 CV 1 ASSI { 836} (( segid " " and resid 33 and name HB )) ( segid " " and resid 33 and name HG2%) 2.300 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.80860E-02 ppm1 4.183 ppm2 1.287 CV 1 ASSI { 837} (( segid " " and resid 33 and name HA )) (( segid " " and resid 32 and name HB2 )) 4.000 2.000 2.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.96065E-03 ppm1 4.484 ppm2 3.116 CV 1 ASSI { 839} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) 2.400 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.73265E-02 ppm1 4.486 ppm2 1.289 CV 1 ASSI { 840} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG1%) 3.900 1.900 1.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.87652E-03 ppm1 4.486 ppm2 0.937 CV 1 OR { 840} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 841} (( segid " " and resid 33 and name HA )) (( segid " " and resid 38 and name HB )) 3.900 1.900 1.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.85074E-03 ppm1 4.491 ppm2 1.894 CV 1 ASSI { 843} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H41A)) 5.000 3.100 1.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.30544E-03 ppm1 1.293 ppm2 8.245 CV 1 ASSI { 845} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HN )) 2.900 1.000 1.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.22590E-02 ppm1 1.290 ppm2 8.594 CV 1 ASSI { 849} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HB2 )) 3.500 1.500 1.500 peak 849 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 1.293 ppm2 3.075 CV 1 ASSI { 850} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HB1 )) 3.300 1.400 1.400 peak 850 spectrum 1 weight 0.10000E+01 volume 0.93249E-03 ppm1 1.290 ppm2 3.161 CV 1 ASSI { 853} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 3.000 1.100 1.100 peak 853 spectrum 1 weight 0.10000E+01 volume 0.15999E-02 ppm1 2.445 ppm2 4.598 CV 1 ASSI { 854} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.800 1.000 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.52623E-02 ppm1 4.598 ppm2 2.766 CV 1 ASSI { 855} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.100 1.200 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.58604E-03 ppm1 2.774 ppm2 7.672 CV 1 ASSI { 857} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 31 and name HB1 )) 3.100 1.200 1.200 peak 857 spectrum 1 weight 0.10000E+01 volume 0.75906E-03 ppm1 2.774 ppm2 4.078 CV 1 ASSI { 859} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 2.900 1.100 1.100 peak 859 spectrum 1 weight 0.10000E+01 volume 0.13636E-02 ppm1 2.773 ppm2 3.847 CV 1 ASSI { 863} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.000 1.100 1.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.11839E-02 ppm1 2.721 ppm2 7.499 CV 1 ASSI { 864} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 3.000 1.100 1.100 peak 864 spectrum 1 weight 0.10000E+01 volume 0.16421E-02 ppm1 5.018 ppm2 7.668 CV 1 ASSI { 866} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.800 1.800 1.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.19705E-02 ppm1 3.044 ppm2 10.187 CV 1 ASSI { 867} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.500 0.800 0.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.16078E-02 ppm1 2.721 ppm2 10.188 CV 1 ASSI { 868} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.48356E-02 ppm1 5.029 ppm2 2.711 CV 1 ASSI { 873} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HG )) 3.400 1.400 1.400 peak 873 spectrum 1 weight 0.10000E+01 volume 0.19454E-02 ppm1 3.041 ppm2 1.467 CV 1 ASSI { 874} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HB2 )) 4.000 2.000 2.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.17924E-02 ppm1 3.044 ppm2 1.372 CV 1 OR { 874} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HG2 )) ASSI { 876} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HG )) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.23512E-02 ppm1 2.724 ppm2 1.468 CV 1 ASSI { 877} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.16960E-02 ppm1 2.716 ppm2 1.357 CV 1 OR { 877} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 30 and name HG2 )) ASSI { 878} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 30 and name HB1 )) 3.500 1.500 1.500 peak 878 spectrum 1 weight 0.10000E+01 volume 0.71083E-03 ppm1 3.044 ppm2 2.057 CV 1 ASSI { 880} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) 2.800 1.000 1.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.17520E-02 ppm1 3.041 ppm2 5.022 CV 1 ASSI { 884} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.800 1.000 1.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.15202E-02 ppm1 4.358 ppm2 7.506 CV 1 ASSI { 885} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 3.600 1.600 1.600 peak 885 spectrum 1 weight 0.10000E+01 volume 0.71346E-03 ppm1 4.362 ppm2 7.295 CV 1 ASSI { 888} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HN )) 4.300 2.300 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.80411E-03 ppm1 0.613 ppm2 7.510 CV 1 ASSI { 890} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 37 and name HN )) 4.400 2.400 1.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.47098E-03 ppm1 2.303 ppm2 7.285 CV 1 ASSI { 891} (( segid " " and resid 36 and name HB1 )) ( segid " " and resid 32 and name HD% ) 4.400 2.400 1.600 peak 891 spectrum 1 weight 0.10000E+01 volume 0.54561E-03 ppm1 2.301 ppm2 7.179 CV 1 ASSI { 893} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 32 and name HD% ) 3.000 1.100 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.14154E-02 ppm1 0.618 ppm2 7.174 CV 1 ASSI { 894} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 32 and name HE% ) 3.800 1.800 1.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.55273E-03 ppm1 0.620 ppm2 6.987 CV 1 ASSI { 895} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 27 and name HN )) 5.000 3.100 1.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.26730E-03 ppm1 0.618 ppm2 6.384 CV 1 ASSI { 898} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 26 and name HA )) 3.300 1.300 1.300 peak 898 spectrum 1 weight 0.10000E+01 volume 0.10541E-02 ppm1 0.618 ppm2 3.541 CV 1 ASSI { 900} (( segid " " and resid 36 and name HG )) (( segid " " and resid 32 and name HA )) 3.500 1.600 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.56637E-03 ppm1 1.472 ppm2 4.075 CV 1 ASSI { 902} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 32 and name HA )) 3.500 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.24325E-02 ppm1 2.308 ppm2 4.073 CV 1 ASSI { 905} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.500 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.23625E-02 ppm1 4.359 ppm2 2.309 CV 1 ASSI { 906} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.800 1.000 1.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.36750E-02 ppm1 4.361 ppm2 1.585 CV 1 ASSI { 907} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG )) 3.200 1.300 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.15775E-02 ppm1 4.359 ppm2 1.470 CV 1 ASSI { 908} (( segid " " and resid 36 and name HA )) (( segid " " and resid 21 and name HG12)) 3.300 1.400 1.400 peak 908 spectrum 1 weight 0.10000E+01 volume 0.94467E-03 ppm1 4.363 ppm2 1.301 CV 1 OR { 908} (( segid " " and resid 36 and name HA )) (( segid " " and resid 21 and name HG11)) ASSI { 911} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD2%) 2.100 0.600 0.600 peak 911 spectrum 1 weight 0.10000E+01 volume 0.76056E-02 ppm1 4.360 ppm2 0.777 CV 1 ASSI { 912} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD1%) 4.400 2.400 1.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.98487E-03 ppm1 4.363 ppm2 0.625 CV 1 ASSI { 916} (( segid " " and resid 36 and name HB2 )) ( segid " " and resid 36 and name HD1%) 2.700 0.900 0.900 peak 916 spectrum 1 weight 0.10000E+01 volume 0.28982E-02 ppm1 1.590 ppm2 0.618 CV 1 ASSI { 917} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HB1 )) 2.500 0.800 0.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.33516E-02 ppm1 0.618 ppm2 2.302 CV 1 ASSI { 918} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.500 1.600 1.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.96168E-03 ppm1 0.619 ppm2 2.048 CV 1 ASSI { 919} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HG1 )) 5.400 3.600 0.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.15642E-03 ppm1 0.619 ppm2 1.809 CV 1 ASSI { 921} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HG )) 2.400 0.700 0.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.36244E-02 ppm1 0.616 ppm2 1.466 CV 1 ASSI { 922} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HB2 )) 3.200 1.200 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 0.617 ppm2 1.351 CV 1 OR { 922} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 30 and name HG2 )) ASSI { 923} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 15 and name HG2%) 3.000 1.200 1.200 peak 923 spectrum 1 weight 0.10000E+01 volume 0.12634E-02 ppm1 0.616 ppm2 1.182 CV 1 ASSI { 926} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HN )) 3.400 1.400 1.400 peak 926 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 0.780 ppm2 7.501 CV 1 ASSI { 927} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 27 and name HN )) 4.000 2.000 2.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.82614E-03 ppm1 0.781 ppm2 6.366 CV 1 ASSI { 929} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 26 and name HA )) 2.600 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.20713E-02 ppm1 0.780 ppm2 3.539 CV 1 ASSI { 930} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 35 and name HB1 )) 3.400 1.500 1.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 0.778 ppm2 3.035 CV 1 ASSI { 931} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 35 and name HB2 )) 3.200 1.300 1.300 peak 931 spectrum 1 weight 0.10000E+01 volume 0.16604E-02 ppm1 0.779 ppm2 2.706 CV 1 ASSI { 932} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 25 and name HB2 )) 2.500 2.500 3.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.12157E-02 ppm1 0.780 ppm2 2.589 CV 1 ASSI { 933} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HB1 )) 2.700 0.900 0.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.20801E-02 ppm1 0.778 ppm2 2.301 CV 1 ASSI { 934} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HB1 )) 2.600 0.800 0.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 0.779 ppm2 2.053 CV 1 ASSI { 935} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HG1 )) 3.100 1.200 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.13258E-02 ppm1 0.779 ppm2 1.802 CV 1 ASSI { 936} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HB2 )) 3.000 1.100 1.100 peak 936 spectrum 1 weight 0.10000E+01 volume 0.50831E-02 ppm1 0.779 ppm2 1.578 CV 1 ASSI { 937} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HG )) 2.100 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.67843E-02 ppm1 0.780 ppm2 1.463 CV 1 ASSI { 938} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HB2 )) 2.900 1.000 1.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.26698E-02 ppm1 0.780 ppm2 1.351 CV 1 OR { 938} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 30 and name HG2 )) ASSI { 939} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 69 and name HG1%) 2.700 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.21769E-02 ppm1 0.619 ppm2 0.434 CV 1 ASSI { 940} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 69 and name HG1%) 2.300 2.300 3.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.19180E-02 ppm1 0.779 ppm2 0.439 CV 1 ASSI { 943} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 21 and name HG2%) 2.600 0.900 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.20846E-02 ppm1 0.777 ppm2 0.994 CV 1 ASSI { 945} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HN )) 2.000 0.500 0.500 peak 945 spectrum 1 weight 0.10000E+01 volume 0.90271E-02 ppm1 4.426 ppm2 7.284 CV 1 ASSI { 946} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.10275E-02 ppm1 3.094 ppm2 7.284 CV 1 ASSI { 948} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HN )) 2.400 0.700 0.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.37143E-02 ppm1 4.425 ppm2 8.044 CV 1 ASSI { 951} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB1 )) 2.700 0.900 0.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.36207E-02 ppm1 4.425 ppm2 3.088 CV 1 ASSI { 952} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.700 0.900 0.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.35180E-02 ppm1 4.424 ppm2 2.418 CV 1 ASSI { 958} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HN )) 2.500 0.800 0.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.35429E-02 ppm1 1.894 ppm2 8.045 CV 1 ASSI { 959} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.900 1.100 1.100 peak 959 spectrum 1 weight 0.10000E+01 volume 0.17154E-02 ppm1 3.959 ppm2 8.047 CV 1 ASSI { 960} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 38 and name HN )) 2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.57823E-02 ppm1 0.942 ppm2 8.045 CV 1 OR { 960} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) ASSI { 962} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 2.200 0.600 0.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.87809E-02 ppm1 3.955 ppm2 8.299 CV 1 ASSI { 964} ( segid " " and resid 38 and name HG1%) ( segid " " and resid 32 and name HD% ) 2.700 0.900 0.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.26089E-02 ppm1 0.941 ppm2 7.175 CV 1 OR { 964} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 32 and name HD% ) ASSI { 966} (( segid " " and resid 63 and name HB )) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 1.904 ppm2 7.055 CV 1 ASSI { 969} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 37 and name HA )) 4.300 2.300 1.700 peak 969 spectrum 1 weight 0.10000E+01 volume 0.87833E-03 ppm1 0.947 ppm2 4.434 CV 1 OR { 969} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HA )) ASSI { 974} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.200 0.600 0.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.11659E-01 ppm1 0.938 ppm2 3.958 CV 1 OR { 974} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 38 and name HA )) ASSI { 975} (( segid " " and resid 63 and name HB )) (( segid " " and resid 63 and name HA )) 2.500 0.800 0.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.28716E-02 ppm1 1.905 ppm2 3.204 CV 1 ASSI { 976} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 32 and name HB1 )) 3.100 1.200 1.200 peak 976 spectrum 1 weight 0.10000E+01 volume 0.14102E-02 ppm1 0.939 ppm2 3.171 CV 1 OR { 976} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 32 and name HB1 )) ASSI { 978} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HB1 )) 3.500 1.500 1.500 peak 978 spectrum 1 weight 0.10000E+01 volume 0.97982E-03 ppm1 0.939 ppm2 3.068 CV 1 OR { 978} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 39 and name HB1 )) ASSI { 981} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.100 0.500 0.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.11337E-01 ppm1 0.939 ppm2 1.892 CV 1 OR { 981} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 38 and name HB )) ASSI { 984} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HN )) 3.000 1.100 1.100 peak 984 spectrum 1 weight 0.10000E+01 volume 0.22078E-02 ppm1 2.770 ppm2 8.295 CV 1 ASSI { 986} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.700 0.900 0.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.30099E-02 ppm1 2.773 ppm2 4.645 CV 1 ASSI { 987} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB1 )) 2.800 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.45265E-02 ppm1 4.645 ppm2 3.085 CV 1 ASSI { 989} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HN )) 3.600 1.600 1.600 peak 989 spectrum 1 weight 0.10000E+01 volume 0.16870E-02 ppm1 3.076 ppm2 8.296 CV 1 ASSI { 990} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 38 and name HN )) 4.500 2.500 1.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.54674E-03 ppm1 3.089 ppm2 8.070 CV 1 ASSI { 991} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 2.900 1.000 1.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.31777E-02 ppm1 4.647 ppm2 8.973 CV 1 ASSI { 992} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 38 and name HA )) 3.500 1.500 1.500 peak 992 spectrum 1 weight 0.10000E+01 volume 0.81550E-03 ppm1 2.765 ppm2 3.948 CV 1 ASSI { 994} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 3.300 1.300 1.300 peak 994 spectrum 1 weight 0.10000E+01 volume 0.14451E-02 ppm1 4.111 ppm2 8.977 CV 1 ASSI { 995} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.15236E-02 ppm1 4.102 ppm2 8.978 CV 1 ASSI { 996} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.80245E-03 ppm1 4.103 ppm2 8.061 CV 1 ASSI { 997} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 38 and name HN )) 4.500 2.600 1.500 peak 997 spectrum 1 weight 0.10000E+01 volume 0.62627E-03 ppm1 4.154 ppm2 8.053 CV 1 ASSI { 999} (( segid " " and resid 40 and name HA )) (( segid " " and resid 39 and name HN )) 4.600 2.600 1.400 peak 999 spectrum 1 weight 0.10000E+01 volume 0.85112E-03 ppm1 4.102 ppm2 8.291 CV 1 ASSI { 1000} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name H28B)) 4.100 2.100 1.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.46795E-03 ppm1 4.100 ppm2 3.279 CV 1 ASSI { 1001} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H28B)) 4.500 2.600 1.500 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.33325E-03 ppm1 4.099 ppm2 3.274 CV 1 ASSI { 1002} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name H28B)) 3.500 1.500 1.500 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.59268E-03 ppm1 4.144 ppm2 3.301 CV 1 OR { 1002} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name H28B)) ASSI { 1005} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HB2 )) 3.400 1.400 1.400 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.91345E-03 ppm1 4.109 ppm2 1.822 CV 1 ASSI { 1006} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HG2 )) 3.500 1.500 1.500 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.10145E-02 ppm1 4.106 ppm2 2.215 CV 1 OR { 1006} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HG1 )) ASSI { 1007} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.900 1.000 1.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.15164E-02 ppm1 4.104 ppm2 2.065 CV 1 ASSI { 1008} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HG2 )) 4.600 2.700 1.400 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.52217E-03 ppm1 4.142 ppm2 2.243 CV 1 OR { 1008} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 43 and name HG2 )) OR { 1008} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HG1 )) OR { 1008} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 43 and name HG1 )) ASSI { 1009} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 4.300 2.300 1.700 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.53809E-03 ppm1 4.153 ppm2 2.059 CV 1 ASSI { 1010} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H30%) 3.000 1.100 1.100 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.17764E-02 ppm1 4.153 ppm2 0.873 CV 1 OR { 1010} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H31%) ASSI { 1011} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H30%) 3.200 1.300 1.300 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.17773E-02 ppm1 4.106 ppm2 0.874 CV 1 OR { 1011} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name H30%) OR { 1011} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name H31%) OR { 1011} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name H31%) ASSI { 1013} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HN )) 2.600 2.600 3.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.33419E-02 ppm1 1.884 ppm2 8.057 CV 1 ASSI { 1014} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 3.600 1.600 1.600 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.19453E-02 ppm1 1.628 ppm2 8.056 CV 1 ASSI { 1018} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 3.200 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 4.280 ppm2 8.332 CV 1 ASSI { 1019} (( segid " " and resid 41 and name HG )) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.19031E-02 ppm1 1.737 ppm2 8.057 CV 1 ASSI { 1020} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HA )) 4.800 2.900 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.93602E-03 ppm1 0.973 ppm2 4.289 CV 1 ASSI { 1022} (( segid " " and resid 41 and name HA )) (( segid " " and resid 44 and name HN )) 3.800 1.800 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.49052E-03 ppm1 4.290 ppm2 7.255 CV 1 ASSI { 1023} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.22773E-02 ppm1 1.882 ppm2 4.278 CV 1 ASSI { 1025} (( segid " " and resid 41 and name HG )) (( segid " " and resid 41 and name HA )) 3.700 1.700 1.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.13209E-02 ppm1 1.739 ppm2 4.276 CV 1 ASSI { 1026} (( segid " " and resid 41 and name HA )) (( segid " " and resid 40 and name H28B)) 3.400 1.400 1.400 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.71658E-03 ppm1 4.291 ppm2 3.316 CV 1 ASSI { 1030} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.600 0.800 0.800 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.38120E-02 ppm1 4.281 ppm2 1.625 CV 1 ASSI { 1031} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HG )) 2.400 0.700 0.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.42019E-02 ppm1 1.882 ppm2 1.736 CV 1 ASSI { 1032} ( segid " " and resid 41 and name HD2%) (( segid " " and resid 41 and name HB1 )) 2.800 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.18982E-02 ppm1 0.969 ppm2 1.889 CV 1 ASSI { 1035} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HA )) 3.100 1.200 1.200 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.63776E-02 ppm1 0.909 ppm2 4.283 CV 1 ASSI { 1036} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name H28A)) 4.800 2.900 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.87556E-03 ppm1 0.904 ppm2 3.748 CV 1 ASSI { 1037} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 40 and name H28B)) 4.100 2.100 1.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.19707E-02 ppm1 0.914 ppm2 3.298 CV 1 ASSI { 1040} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HN )) 3.000 1.100 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.14617E-02 ppm1 3.622 ppm2 8.324 CV 1 ASSI { 1041} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.900 1.000 1.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.18850E-02 ppm1 4.269 ppm2 8.328 CV 1 ASSI { 1042} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.400 1.500 1.500 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.10836E-02 ppm1 4.272 ppm2 7.000 CV 1 ASSI { 1043} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HA )) 2.700 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.28269E-02 ppm1 3.987 ppm2 4.268 CV 1 ASSI { 1044} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.26397E-02 ppm1 3.624 ppm2 4.269 CV 1 ASSI { 1047} (( segid " " and resid 38 and name HA )) ( segid " " and resid 19 and name HB% ) 3.200 1.300 1.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.90992E-03 ppm1 3.973 ppm2 1.540 CV 1 ASSI { 1048} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 19 and name HB% ) 2.900 2.900 3.100 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.47422E-03 ppm1 3.620 ppm2 1.537 CV 1 ASSI { 1049} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB )) 3.100 1.200 1.200 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 3.970 ppm2 1.883 CV 1 ASSI { 1050} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HG2 )) 4.100 2.100 1.900 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.14671E-02 ppm1 4.276 ppm2 2.290 CV 1 OR { 1050} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB1 )) ASSI { 1053} (( segid " " and resid 42 and name HA )) ( segid " " and resid 41 and name HD2%) 2.200 0.600 0.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.24654E-02 ppm1 4.271 ppm2 0.953 CV 1 ASSI { 1059} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) 3.000 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.12681E-02 ppm1 3.935 ppm2 8.113 CV 1 ASSI { 1061} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.51511E-03 ppm1 3.938 ppm2 7.864 CV 1 ASSI { 1062} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HN )) 3.500 1.500 1.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.66417E-03 ppm1 3.932 ppm2 7.248 CV 1 ASSI { 1063} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HN )) 3.800 1.800 1.800 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.37483E-03 ppm1 3.936 ppm2 6.994 CV 1 ASSI { 1066} (( segid " " and resid 44 and name HB )) (( segid " " and resid 45 and name HN )) 2.600 0.900 0.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.28313E-02 ppm1 2.235 ppm2 7.000 CV 1 ASSI { 1072} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG1 )) 3.100 1.200 1.200 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.24828E-02 ppm1 3.936 ppm2 2.232 CV 1 OR { 1072} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG2 )) ASSI { 1074} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.600 0.800 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.23422E-02 ppm1 3.935 ppm2 1.814 CV 1 ASSI { 1075} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 2.900 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.22910E-02 ppm1 3.934 ppm2 2.062 CV 1 ASSI { 1076} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 43 and name HE% ) 3.500 1.500 1.500 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.57861E-03 ppm1 2.067 ppm2 1.427 CV 1 ASSI { 1077} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HE% ) 3.600 1.600 1.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.70462E-03 ppm1 1.817 ppm2 1.418 CV 1 ASSI { 1078} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 38 and name HG2%) 4.000 2.000 2.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.59861E-03 ppm1 1.817 ppm2 0.929 CV 1 OR { 1078} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 38 and name HG1%) ASSI { 1079} (( segid " " and resid 43 and name HA )) ( segid " " and resid 41 and name HD2%) 2.100 2.100 3.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.34508E-02 ppm1 3.935 ppm2 0.963 CV 1 ASSI { 1081} (( segid " " and resid 43 and name HA )) ( segid " " and resid 46 and name HG1%) 4.000 2.000 2.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.11251E-02 ppm1 3.936 ppm2 0.674 CV 1 ASSI { 1083} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.700 0.900 0.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.21544E-02 ppm1 3.638 ppm2 7.250 CV 1 ASSI { 1084} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.700 1.700 1.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.87415E-03 ppm1 3.641 ppm2 7.865 CV 1 ASSI { 1086} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB )) 2.700 0.900 0.900 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.37465E-02 ppm1 3.638 ppm2 2.256 CV 1 ASSI { 1089} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HN )) 2.300 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.55360E-02 ppm1 1.131 ppm2 7.251 CV 1 ASSI { 1090} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 45 and name HN )) 4.100 2.100 1.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.13010E-02 ppm1 1.129 ppm2 6.998 CV 1 ASSI { 1097} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H42B)) 4.200 2.200 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.80329E-03 ppm1 1.130 ppm2 3.297 CV 1 ASSI { 1098} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H42A)) 5.300 3.600 0.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.31059E-03 ppm1 1.132 ppm2 3.108 CV 1 ASSI { 1099} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H43B)) 4.600 2.600 1.400 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.47260E-03 ppm1 1.132 ppm2 2.956 CV 1 ASSI { 1100} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H43A)) 4.500 2.500 1.500 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.10908E-02 ppm1 1.130 ppm2 2.837 CV 1 ASSI { 1101} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H38B)) 3.300 1.400 1.400 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.10656E-02 ppm1 1.130 ppm2 2.461 CV 1 OR { 1101} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name H38A)) ASSI { 1104} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 42 and name HA )) 3.300 1.300 1.300 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.27119E-02 ppm1 1.130 ppm2 4.273 CV 1 ASSI { 1105} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HA )) 2.400 0.700 0.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.57371E-02 ppm1 1.130 ppm2 3.630 CV 1 ASSI { 1106} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HB )) 2.200 0.600 0.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.96059E-02 ppm1 1.130 ppm2 2.238 CV 1 ASSI { 1109} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.800 0.900 0.900 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27555E-02 ppm1 4.072 ppm2 6.998 CV 1 ASSI { 1110} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 3.500 1.600 1.600 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 2.302 ppm2 7.000 CV 1 ASSI { 1111} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.17040E-02 ppm1 2.167 ppm2 7.003 CV 1 ASSI { 1112} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.22508E-02 ppm1 2.460 ppm2 7.001 CV 1 ASSI { 1113} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HN )) 3.300 1.400 1.400 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.24168E-02 ppm1 2.290 ppm2 7.002 CV 1 ASSI { 1115} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) 3.900 1.900 1.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.87028E-03 ppm1 2.300 ppm2 8.104 CV 1 ASSI { 1117} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HA )) 4.700 2.800 1.300 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.84734E-03 ppm1 2.300 ppm2 4.274 CV 1 ASSI { 1119} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HG2%) 3.700 1.700 1.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.26778E-02 ppm1 4.071 ppm2 1.118 CV 1 ASSI { 1121} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG1 )) 3.800 1.800 1.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.13077E-02 ppm1 4.070 ppm2 2.457 CV 1 ASSI { 1122} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.300 0.600 0.600 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.61594E-02 ppm1 4.072 ppm2 2.291 CV 1 OR { 1122} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG2 )) ASSI { 1123} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.46895E-02 ppm1 4.072 ppm2 2.163 CV 1 ASSI { 1124} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 42 and name HA )) 4.500 2.600 1.500 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.74064E-03 ppm1 2.291 ppm2 4.269 CV 1 ASSI { 1125} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.71474E-03 ppm1 2.458 ppm2 4.262 CV 1 ASSI { 1128} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 44 and name HG2%) 5.100 3.300 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.40524E-03 ppm1 2.444 ppm2 1.125 CV 1 ASSI { 1130} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 44 and name HG2%) 5.300 3.600 0.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.41423E-03 ppm1 2.287 ppm2 1.117 CV 1 ASSI { 1135} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HN )) 2.300 0.600 0.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.56016E-02 ppm1 2.301 ppm2 8.115 CV 1 ASSI { 1137} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB )) 2.800 1.000 1.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.23009E-02 ppm1 3.429 ppm2 2.302 CV 1 ASSI { 1139} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.600 0.800 0.800 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.23994E-02 ppm1 3.426 ppm2 8.115 CV 1 ASSI { 1140} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 3.200 1.200 1.200 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.87940E-03 ppm1 3.436 ppm2 7.895 CV 1 ASSI { 1144} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HN )) 2.100 0.600 0.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.51121E-02 ppm1 0.983 ppm2 8.109 CV 1 ASSI { 1145} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HN )) 4.100 2.100 1.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.91177E-03 ppm1 0.988 ppm2 7.874 CV 1 ASSI { 1147} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 47 and name HN )) 3.600 1.600 1.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 0.679 ppm2 7.870 CV 1 ASSI { 1149} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 45 and name HN )) 4.400 2.500 1.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.11032E-02 ppm1 0.679 ppm2 6.985 CV 1 ASSI { 1157} ( segid " " and resid 46 and name HG1%) ( segid " " and resid 15 and name HG2%) 2.600 0.800 0.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.28126E-02 ppm1 0.679 ppm2 1.173 CV 1 ASSI { 1159} (( segid " " and resid 46 and name HB )) ( segid " " and resid 46 and name HG1%) 2.100 0.500 0.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.90889E-02 ppm1 2.299 ppm2 0.665 CV 1 ASSI { 1160} (( segid " " and resid 46 and name HB )) ( segid " " and resid 46 and name HG2%) 2.100 0.500 0.500 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.89703E-02 ppm1 2.305 ppm2 0.989 CV 1 ASSI { 1161} (( segid " " and resid 46 and name HA )) ( segid " " and resid 14 and name HG2%) 2.200 0.600 0.600 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.52345E-02 ppm1 3.432 ppm2 1.060 CV 1 OR { 1161} (( segid " " and resid 46 and name HA )) (( segid " " and resid 14 and name HG12)) ASSI { 1162} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HG2%) 2.300 0.600 0.600 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.62424E-02 ppm1 3.431 ppm2 0.979 CV 1 ASSI { 1164} (( segid " " and resid 46 and name HA )) ( segid " " and resid 46 and name HG1%) 2.400 0.700 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.51056E-02 ppm1 3.428 ppm2 0.670 CV 1 ASSI { 1165} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.800 1.000 1.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.22109E-02 ppm1 3.332 ppm2 7.869 CV 1 ASSI { 1166} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.44260E-02 ppm1 2.290 ppm2 7.870 CV 1 ASSI { 1167} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HG2%) 2.400 0.700 0.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.57405E-02 ppm1 3.331 ppm2 0.993 CV 1 ASSI { 1168} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HG1%) 2.500 0.800 0.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.46789E-02 ppm1 3.329 ppm2 0.895 CV 1 ASSI { 1170} (( segid " " and resid 47 and name HA )) ( segid " " and resid 40 and name H8% ) 2.700 0.900 0.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.30846E-02 ppm1 3.329 ppm2 0.643 CV 1 ASSI { 1171} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HN )) 2.200 0.600 0.600 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.49804E-02 ppm1 1.002 ppm2 7.870 CV 1 ASSI { 1172} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 47 and name HN )) 4.400 2.400 1.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.98703E-03 ppm1 0.903 ppm2 7.879 CV 1 ASSI { 1175} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) 3.600 1.700 1.700 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.70060E-03 ppm1 3.330 ppm2 7.777 CV 1 ASSI { 1176} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HN )) 2.400 0.700 0.700 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.26112E-02 ppm1 2.288 ppm2 7.783 CV 1 ASSI { 1177} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 48 and name HN )) 4.500 2.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.67796E-03 ppm1 1.001 ppm2 7.769 CV 1 ASSI { 1178} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 48 and name HN )) 3.700 1.700 1.700 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.12490E-02 ppm1 0.897 ppm2 7.787 CV 1 ASSI { 1179} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 40 and name H2A )) 4.000 2.000 2.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.96539E-03 ppm1 1.002 ppm2 6.625 CV 1 ASSI { 1180} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 40 and name H3A )) 3.500 1.600 1.600 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.14272E-02 ppm1 1.001 ppm2 6.007 CV 1 ASSI { 1183} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.13030E-02 ppm1 1.004 ppm2 3.635 CV 1 ASSI { 1184} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 2.283 ppm2 3.337 CV 1 ASSI { 1187} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 51 and name HG1 )) 2.800 1.000 1.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.16915E-02 ppm1 0.902 ppm2 2.827 CV 1 ASSI { 1188} ( segid " " and resid 47 and name HG1%) (( segid " " and resid 47 and name HB )) 2.200 0.600 0.600 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.69307E-02 ppm1 0.899 ppm2 2.282 CV 1 ASSI { 1190} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HB )) 2.100 0.600 0.600 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.68536E-02 ppm1 1.001 ppm2 2.281 CV 1 ASSI { 1193} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HN )) 2.600 0.800 0.800 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.29837E-02 ppm1 2.069 ppm2 7.926 CV 1 ASSI { 1194} (( segid " " and resid 48 and name HB )) (( segid " " and resid 48 and name HN )) 2.400 0.700 0.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.42219E-02 ppm1 2.073 ppm2 7.787 CV 1 ASSI { 1196} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HN )) 3.800 1.800 1.800 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.19487E-02 ppm1 1.119 ppm2 7.917 CV 1 ASSI { 1197} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HN )) 2.200 0.600 0.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.73927E-02 ppm1 1.119 ppm2 7.786 CV 1 ASSI { 1198} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 48 and name HN )) 3.800 1.800 1.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.22070E-02 ppm1 1.003 ppm2 7.785 CV 1 ASSI { 1199} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 49 and name HN )) 3.300 1.300 1.300 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.20178E-02 ppm1 1.006 ppm2 7.924 CV 1 ASSI { 1200} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.37730E-02 ppm1 1.121 ppm2 4.072 CV 1 ASSI { 1201} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.400 0.700 0.700 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.71957E-02 ppm1 1.119 ppm2 3.917 CV 1 ASSI { 1202} (( segid " " and resid 48 and name HB )) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.26216E-02 ppm1 2.068 ppm2 4.062 CV 1 ASSI { 1204} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 49 and name HA )) 3.200 1.200 1.200 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.15972E-02 ppm1 1.006 ppm2 4.244 CV 1 ASSI { 1205} ( segid " " and resid 48 and name HG1%) (( segid " " and resid 48 and name HA )) 2.500 0.800 0.800 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.57402E-02 ppm1 1.005 ppm2 3.921 CV 1 ASSI { 1206} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) 2.200 0.600 0.600 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.91083E-02 ppm1 1.119 ppm2 2.072 CV 1 ASSI { 1209} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 2.800 0.900 0.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.36160E-02 ppm1 3.920 ppm2 2.081 CV 1 ASSI { 1210} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HG1 )) 3.500 1.500 1.500 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.88464E-03 ppm1 3.923 ppm2 2.824 CV 1 ASSI { 1214} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.700 0.900 0.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.31148E-02 ppm1 4.239 ppm2 7.926 CV 1 ASSI { 1215} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.200 0.600 0.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.82958E-02 ppm1 1.529 ppm2 7.925 CV 1 ASSI { 1216} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HN )) 4.200 2.200 1.800 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.50272E-03 ppm1 4.247 ppm2 8.214 CV 1 ASSI { 1218} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.41526E-02 ppm1 1.528 ppm2 8.820 CV 1 ASSI { 1220} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HN )) 4.200 2.200 1.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.78441E-03 ppm1 1.532 ppm2 7.802 CV 1 ASSI { 1221} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 1.529 ppm2 3.947 CV 1 ASSI { 1222} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.100 0.600 0.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.98353E-02 ppm1 1.528 ppm2 4.240 CV 1 ASSI { 1223} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 1 and name HA )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.40230E-02 ppm1 1.518 ppm2 4.030 CV 1 ASSI { 1224} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HA )) 2.900 1.000 1.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.31025E-02 ppm1 1.529 ppm2 3.430 CV 1 ASSI { 1226} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 48 and name HB )) 3.600 1.600 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.14909E-02 ppm1 1.527 ppm2 2.081 CV 1 ASSI { 1231} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 14 and name HG2%) 2.000 0.500 0.500 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.10530E-01 ppm1 1.529 ppm2 1.062 CV 1 OR { 1231} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HG12)) ASSI { 1232} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 46 and name HG2%) 2.200 2.200 3.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.24851E-02 ppm1 1.530 ppm2 0.961 CV 1 ASSI { 1234} (( segid " " and resid 50 and name HA )) ( segid " " and resid 54 and name HE% ) 4.000 2.000 2.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.58073E-03 ppm1 3.961 ppm2 7.141 CV 1 ASSI { 1238} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 3.400 1.500 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.20274E-02 ppm1 2.305 ppm2 8.852 CV 1 ASSI { 1239} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.25217E-02 ppm1 2.831 ppm2 8.846 CV 1 ASSI { 1241} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.17489E-02 ppm1 2.112 ppm2 8.847 CV 1 ASSI { 1242} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.26267E-02 ppm1 4.184 ppm2 8.847 CV 1 ASSI { 1246} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) 3.400 1.500 1.500 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.72089E-03 ppm1 4.186 ppm2 7.701 CV 1 ASSI { 1247} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 57 and name HA )) 4.400 2.400 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.88261E-03 ppm1 2.829 ppm2 4.715 CV 1 ASSI { 1250} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HA )) 2.900 1.000 1.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.20172E-02 ppm1 2.827 ppm2 4.185 CV 1 ASSI { 1252} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 4.000 2.000 2.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.14645E-02 ppm1 2.469 ppm2 3.924 CV 1 ASSI { 1253} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 48 and name HA )) 2.900 1.000 1.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.12650E-02 ppm1 2.121 ppm2 3.909 CV 1 ASSI { 1254} (( segid " " and resid 51 and name HA )) (( segid " " and resid 57 and name HA )) 4.600 2.700 1.400 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.42781E-03 ppm1 4.181 ppm2 4.721 CV 1 ASSI { 1256} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HG1 )) 3.000 1.100 1.100 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 2.467 ppm2 2.827 CV 1 ASSI { 1257} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HG1 )) 2.700 0.900 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.23979E-02 ppm1 2.111 ppm2 2.824 CV 1 ASSI { 1258} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) 2.500 0.800 0.800 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.26120E-02 ppm1 4.186 ppm2 2.466 CV 1 ASSI { 1259} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG2 )) 2.500 0.800 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.36587E-02 ppm1 4.189 ppm2 2.297 CV 1 ASSI { 1260} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.44138E-02 ppm1 4.187 ppm2 2.108 CV 1 ASSI { 1271} (( segid " " and resid 51 and name HA )) ( segid " " and resid 56 and name HG1%) 2.200 0.600 0.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.34318E-02 ppm1 4.187 ppm2 0.935 CV 1 ASSI { 1273} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 47 and name HG1%) 3.400 1.500 1.500 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 2.303 ppm2 0.910 CV 1 ASSI { 1275} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 2.900 1.000 1.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.28286E-02 ppm1 2.139 ppm2 7.701 CV 1 ASSI { 1284} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.38591E-02 ppm1 2.138 ppm2 4.124 CV 1 ASSI { 1285} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.28489E-02 ppm1 2.046 ppm2 4.123 CV 1 ASSI { 1286} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 49 and name HA )) 3.100 1.200 1.200 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.96839E-03 ppm1 2.056 ppm2 4.245 CV 1 ASSI { 1287} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.14193E-02 ppm1 2.139 ppm2 4.241 CV 1 ASSI { 1288} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) 3.500 1.500 1.500 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.82933E-03 ppm1 4.126 ppm2 8.210 CV 1 ASSI { 1289} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.25875E-02 ppm1 1.082 ppm2 8.204 CV 1 ASSI { 1290} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.33663E-02 ppm1 1.616 ppm2 8.207 CV 1 ASSI { 1291} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.700 0.900 0.900 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.31037E-02 ppm1 3.910 ppm2 8.214 CV 1 ASSI { 1292} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HN )) 4.900 3.000 1.100 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.65021E-03 ppm1 0.677 ppm2 8.211 CV 1 ASSI { 1293} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 54 and name HD% ) 4.100 2.100 1.900 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.38117E-03 ppm1 0.678 ppm2 7.465 CV 1 OR { 1293} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HZ )) ASSI { 1297} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HA )) 3.800 1.800 1.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.15820E-02 ppm1 0.678 ppm2 3.915 CV 1 ASSI { 1298} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HA )) 3.300 1.400 1.400 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.13664E-02 ppm1 2.880 ppm2 3.909 CV 1 ASSI { 1300} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HB1 )) 4.000 2.000 2.000 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.12198E-02 ppm1 2.882 ppm2 1.614 CV 1 ASSI { 1301} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HB1 )) 3.900 1.900 1.900 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.12289E-02 ppm1 2.704 ppm2 1.610 CV 1 ASSI { 1303} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HB2 )) 3.200 1.200 1.200 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.15835E-02 ppm1 2.885 ppm2 1.071 CV 1 ASSI { 1304} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HB2 )) 2.800 1.000 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 2.706 ppm2 1.070 CV 1 ASSI { 1305} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HG1 )) 2.800 1.000 1.000 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.19289E-02 ppm1 2.880 ppm2 0.862 CV 1 ASSI { 1307} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HG2 )) 2.700 0.900 0.900 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.20748E-02 ppm1 2.705 ppm2 0.708 CV 1 ASSI { 1308} (( segid " " and resid 53 and name HD1 )) (( segid " " and resid 53 and name HG2 )) 2.700 0.900 0.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.23641E-02 ppm1 2.881 ppm2 0.704 CV 1 ASSI { 1310} (( segid " " and resid 53 and name HD2 )) ( segid " " and resid 54 and name HE% ) 3.000 3.000 3.000 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.40792E-03 ppm1 2.694 ppm2 7.165 CV 1 ASSI { 1311} (( segid " " and resid 53 and name HD1 )) ( segid " " and resid 54 and name HE% ) 3.000 3.000 3.000 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.43667E-03 ppm1 2.886 ppm2 7.143 CV 1 ASSI { 1312} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.34405E-02 ppm1 1.616 ppm2 3.918 CV 1 ASSI { 1313} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 2.600 0.800 0.800 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.25651E-02 ppm1 1.084 ppm2 3.928 CV 1 ASSI { 1317} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HD2 )) 2.800 1.000 1.000 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.26488E-02 ppm1 3.901 ppm2 2.703 CV 1 ASSI { 1318} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG1 )) 2.500 0.800 0.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.30918E-02 ppm1 1.616 ppm2 0.865 CV 1 ASSI { 1319} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG2 )) 2.500 0.800 0.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.21109E-02 ppm1 1.615 ppm2 0.686 CV 1 ASSI { 1321} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) 3.400 1.400 1.400 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.16476E-02 ppm1 3.439 ppm2 8.136 CV 1 ASSI { 1323} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 54 and name HD% ) 2.600 0.800 0.800 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.41270E-02 ppm1 3.437 ppm2 7.464 CV 1 ASSI { 1324} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.500 0.800 0.800 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.25719E-02 ppm1 3.438 ppm2 4.851 CV 1 ASSI { 1325} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 56 and name HG1%) 4.100 2.100 1.900 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.16650E-02 ppm1 3.442 ppm2 0.937 CV 1 ASSI { 1328} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 56 and name HG1%) 2.800 1.000 1.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.17002E-02 ppm1 2.750 ppm2 0.932 CV 1 ASSI { 1331} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 54 and name HA )) 2.600 0.800 0.800 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.36615E-02 ppm1 7.465 ppm2 4.851 CV 1 ASSI { 1332} (( segid " " and resid 54 and name HZ )) ( segid " " and resid 54 and name HE% ) 2.300 0.700 0.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.46064E-02 ppm1 7.460 ppm2 7.128 CV 1 ASSI { 1333} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 54 and name HD% ) 2.000 0.500 0.500 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.91130E-02 ppm1 7.131 ppm2 7.462 CV 1 OR { 1333} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 54 and name HZ )) ASSI { 1335} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 54 and name HN )) 3.000 1.100 1.100 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.13904E-02 ppm1 7.463 ppm2 8.135 CV 1 ASSI { 1339} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 10 and name HA1 )) 3.700 1.700 1.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.37877E-03 ppm1 7.462 ppm2 4.075 CV 1 ASSI { 1340} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 7 and name HA )) 2.800 1.000 1.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.17813E-02 ppm1 7.460 ppm2 3.878 CV 1 ASSI { 1345} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 53 and name HG2 )) 3.100 1.200 1.200 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.67815E-03 ppm1 7.130 ppm2 0.727 CV 1 ASSI { 1349} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 54 and name HB2 )) 2.200 0.600 0.600 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.43920E-02 ppm1 7.464 ppm2 2.748 CV 1 ASSI { 1351} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 53 and name HB2 )) 2.800 1.000 1.000 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.68477E-03 ppm1 7.467 ppm2 1.072 CV 1 ASSI { 1352} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 53 and name HG1 )) 2.900 1.000 1.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 7.465 ppm2 0.888 CV 1 ASSI { 1353} ( segid " " and resid 54 and name HD% ) (( segid " " and resid 53 and name HG2 )) 3.900 1.900 1.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.53387E-03 ppm1 7.458 ppm2 0.729 CV 1 ASSI { 1356} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 54 and name HE% ) 2.100 0.500 0.500 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.71530E-02 ppm1 7.465 ppm2 7.127 CV 1 ASSI { 1358} (( segid " " and resid 54 and name HZ )) (( segid " " and resid 11 and name HN )) 3.800 1.800 1.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.38401E-03 ppm1 7.465 ppm2 9.239 CV 1 ASSI { 1359} ( segid " " and resid 54 and name HE% ) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.49201E-03 ppm1 7.139 ppm2 9.240 CV 1 ASSI { 1360} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 3.200 1.300 1.300 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.17655E-02 ppm1 2.548 ppm2 7.824 CV 1 ASSI { 1361} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) 3.800 1.800 1.800 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.14675E-02 ppm1 3.259 ppm2 7.830 CV 1 ASSI { 1362} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.000 0.500 0.500 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.13913E-01 ppm1 4.490 ppm2 7.826 CV 1 ASSI { 1363} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 2.700 0.900 0.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.33204E-02 ppm1 3.261 ppm2 4.486 CV 1 ASSI { 1364} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HA )) 2.800 1.000 1.000 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.38632E-02 ppm1 2.552 ppm2 4.489 CV 1 ASSI { 1365} (( segid " " and resid 56 and name HB )) (( segid " " and resid 56 and name HN )) 2.900 1.100 1.100 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.10423E-02 ppm1 2.018 ppm2 7.825 CV 1 ASSI { 1366} (( segid " " and resid 56 and name HB )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.30882E-02 ppm1 2.017 ppm2 4.688 CV 1 ASSI { 1367} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HN )) 3.700 1.700 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.20541E-02 ppm1 0.976 ppm2 7.831 CV 1 ASSI { 1370} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 56 and name HN )) 2.500 0.800 0.800 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.26215E-02 ppm1 0.927 ppm2 7.830 CV 1 ASSI { 1373} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 57 and name HN )) 2.400 2.400 3.600 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.90527E-03 ppm1 0.974 ppm2 8.192 CV 1 ASSI { 1375} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 75 and name HE% ) 4.500 2.600 1.500 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.51611E-03 ppm1 0.975 ppm2 6.555 CV 1 ASSI { 1378} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 56 and name HA )) 2.800 1.000 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.19281E-02 ppm1 0.975 ppm2 4.697 CV 1 ASSI { 1379} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 80 and name HA )) 2.600 0.800 0.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.21253E-02 ppm1 0.977 ppm2 4.404 CV 1 ASSI { 1380} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 60 and name HA )) 3.200 1.000 1.000 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.15736E-02 ppm1 0.977 ppm2 4.189 CV 1 ASSI { 1381} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 76 and name HA )) 2.900 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 0.975 ppm2 3.505 CV 1 ASSI { 1385} (( segid " " and resid 56 and name HB )) ( segid " " and resid 76 and name HG2%) 3.500 1.500 1.500 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.82233E-03 ppm1 2.013 ppm2 0.523 CV 1 ASSI { 1390} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HA )) 3.200 1.300 1.300 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.15100E-02 ppm1 1.662 ppm2 4.714 CV 1 OR { 1390} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HA )) ASSI { 1391} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HA )) 3.700 1.700 1.700 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.62359E-03 ppm1 1.393 ppm2 4.708 CV 1 ASSI { 1392} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HN )) 2.600 0.800 0.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.26129E-02 ppm1 1.390 ppm2 7.054 CV 1 OR { 1392} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HN )) ASSI { 1395} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HA )) 2.500 0.800 0.800 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.37964E-02 ppm1 1.688 ppm2 4.716 CV 1 OR { 1395} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HA )) ASSI { 1396} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HE1 )) 4.600 2.600 1.400 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.36591E-03 ppm1 1.689 ppm2 2.933 CV 1 OR { 1396} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HE2 )) OR { 1396} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HE1 )) OR { 1396} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HE2 )) ASSI { 1397} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HA )) 3.300 1.400 1.400 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.72157E-03 ppm1 1.336 ppm2 4.718 CV 1 ASSI { 1398} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.90340E-03 ppm1 1.723 ppm2 4.486 CV 1 ASSI { 1399} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 3.000 1.100 1.100 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.10248E-02 ppm1 4.491 ppm2 9.923 CV 1 ASSI { 1401} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.95843E-03 ppm1 1.559 ppm2 4.490 CV 1 ASSI { 1404} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HD1%) 4.100 2.100 1.900 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.10837E-02 ppm1 4.492 ppm2 0.629 CV 1 ASSI { 1405} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 58 and name HN )) 2.600 0.800 0.800 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.17019E-02 ppm1 1.565 ppm2 9.927 CV 1 ASSI { 1406} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 58 and name HN )) 4.400 2.400 1.600 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.58922E-03 ppm1 0.836 ppm2 9.918 CV 1 ASSI { 1407} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 75 and name HE% ) 4.700 2.800 1.300 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.82421E-03 ppm1 1.568 ppm2 6.555 CV 1 ASSI { 1408} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 63 and name HA )) 4.300 2.300 1.700 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.18673E-03 ppm1 0.331 ppm2 3.210 CV 1 ASSI { 1412} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.900 1.100 1.100 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 0.331 ppm2 1.715 CV 1 ASSI { 1413} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HG11)) 4.900 3.000 1.100 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.27892E-03 ppm1 0.327 ppm2 1.582 CV 1 ASSI { 1415} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HD2 )) 2.100 0.500 0.500 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.90774E-02 ppm1 4.495 ppm2 3.807 CV 1 OR { 1415} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HD1 )) ASSI { 1416} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG12)) 2.600 0.900 0.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.20205E-02 ppm1 4.492 ppm2 0.841 CV 1 ASSI { 1417} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.400 0.700 0.700 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.39072E-02 ppm1 4.496 ppm2 0.329 CV 1 ASSI { 1422} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 47 and name HA )) 2.800 2.800 3.200 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.62946E-03 ppm1 0.641 ppm2 3.331 CV 1 ASSI { 1423} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 51 and name HG1 )) 3.400 1.400 1.400 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.89045E-03 ppm1 0.634 ppm2 2.825 CV 1 ASSI { 1427} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HB )) 2.400 0.700 0.700 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.41201E-02 ppm1 0.636 ppm2 1.722 CV 1 ASSI { 1428} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HG11)) 2.100 0.600 0.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.62942E-02 ppm1 0.636 ppm2 1.558 CV 1 ASSI { 1429} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 58 and name HG2%) 2.200 0.600 0.600 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.73019E-02 ppm1 0.637 ppm2 0.332 CV 1 ASSI { 1430} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 75 and name HD% ) 3.200 1.300 1.300 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.10373E-02 ppm1 0.636 ppm2 6.824 CV 1 ASSI { 1431} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 75 and name HE% ) 3.500 1.500 1.500 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.99667E-03 ppm1 0.638 ppm2 6.556 CV 1 ASSI { 1432} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HN )) 4.300 2.300 1.700 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.72067E-03 ppm1 0.640 ppm2 9.917 CV 1 ASSI { 1434} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) 3.200 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.19601E-02 ppm1 1.943 ppm2 4.405 CV 1 ASSI { 1436} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD2 )) 3.200 1.300 1.300 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.26238E-02 ppm1 1.946 ppm2 3.807 CV 1 OR { 1436} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD1 )) ASSI { 1438} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB1 )) 3.100 1.200 1.200 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.40614E-02 ppm1 3.811 ppm2 2.395 CV 1 OR { 1438} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB1 )) ASSI { 1439} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 58 and name HG12)) 4.600 2.700 1.400 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.54814E-03 ppm1 3.815 ppm2 0.822 CV 1 OR { 1439} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 58 and name HG12)) ASSI { 1440} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 58 and name HD1%) 5.600 3.900 0.400 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.39444E-03 ppm1 3.809 ppm2 0.634 CV 1 OR { 1440} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 58 and name HD1%) ASSI { 1441} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 58 and name HG2%) 3.200 1.200 1.200 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.23614E-02 ppm1 3.811 ppm2 0.324 CV 1 OR { 1441} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 58 and name HG2%) ASSI { 1442} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HG2 )) 2.200 0.600 0.600 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.90693E-02 ppm1 3.810 ppm2 1.948 CV 1 OR { 1442} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HG2 )) OR { 1442} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB2 )) OR { 1442} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB2 )) ASSI { 1443} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HB1 )) 3.000 1.100 1.100 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.92369E-03 ppm1 3.810 ppm2 1.681 CV 1 OR { 1443} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 57 and name HB2 )) ASSI { 1444} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 58 and name HG11)) 4.800 2.900 1.200 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.52005E-03 ppm1 3.804 ppm2 1.563 CV 1 OR { 1444} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 58 and name HG11)) ASSI { 1446} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 59 and name HB1 )) 2.300 0.600 0.600 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.47416E-02 ppm1 1.981 ppm2 2.390 CV 1 ASSI { 1447} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HB1 )) 2.600 0.800 0.800 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.62137E-02 ppm1 1.939 ppm2 2.386 CV 1 ASSI { 1450} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HN )) 2.400 0.700 0.700 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.50235E-02 ppm1 4.403 ppm2 8.637 CV 1 ASSI { 1451} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HB1 )) 4.500 2.600 1.500 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.85068E-03 ppm1 4.408 ppm2 2.593 CV 1 OR { 1451} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HB2 )) ASSI { 1453} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.900 1.000 1.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.47107E-02 ppm1 4.406 ppm2 1.939 CV 1 OR { 1453} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG2 )) ASSI { 1454} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB1 )) 2.200 0.600 0.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.64797E-02 ppm1 4.406 ppm2 2.386 CV 1 ASSI { 1456} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 62 and name HN )) 4.400 2.400 1.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.48206E-03 ppm1 3.812 ppm2 7.473 CV 1 OR { 1456} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 62 and name HN )) ASSI { 1457} (( segid " " and resid 59 and name HD2 )) ( segid " " and resid 75 and name HE% ) 4.600 2.600 1.400 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.88820E-03 ppm1 3.813 ppm2 6.551 CV 1 OR { 1457} (( segid " " and resid 59 and name HD1 )) ( segid " " and resid 75 and name HE% ) ASSI { 1458} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 58 and name HA )) 2.000 0.500 0.500 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.92563E-02 ppm1 3.811 ppm2 4.490 CV 1 ASSI { 1460} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 58 and name HN )) 4.400 2.400 1.600 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.33937E-03 ppm1 3.805 ppm2 9.930 CV 1 OR { 1460} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 58 and name HN )) ASSI { 1462} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.20306E-02 ppm1 4.188 ppm2 8.639 CV 1 ASSI { 1465} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HN )) 3.400 1.500 1.500 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.93989E-03 ppm1 4.194 ppm2 7.606 CV 1 ASSI { 1466} (( segid " " and resid 60 and name HA )) (( segid " " and resid 62 and name HN )) 3.900 1.900 1.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.54527E-03 ppm1 4.197 ppm2 7.471 CV 1 ASSI { 1467} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB1 )) 2.100 0.600 0.600 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.83950E-02 ppm1 4.193 ppm2 2.588 CV 1 ASSI { 1468} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HB2 )) 3.400 1.500 1.500 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.15748E-02 ppm1 4.190 ppm2 1.912 CV 1 OR { 1468} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HG2 )) ASSI { 1469} (( segid " " and resid 60 and name HA )) ( segid " " and resid 63 and name HG1%) 2.300 0.700 0.700 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.36868E-02 ppm1 4.190 ppm2 0.795 CV 1 OR { 1469} (( segid " " and resid 60 and name HA )) ( segid " " and resid 63 and name HG2%) ASSI { 1472} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HN )) 3.200 1.300 1.300 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.15045E-02 ppm1 2.646 ppm2 8.635 CV 1 ASSI { 1474} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 3.300 1.400 1.400 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 4.317 ppm2 7.480 CV 1 ASSI { 1479} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HB2 )) 4.500 2.500 1.500 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.34034E-03 ppm1 4.323 ppm2 1.792 CV 1 OR { 1479} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HB1 )) ASSI { 1480} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HD1 )) 3.300 1.400 1.400 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.88261E-03 ppm1 4.325 ppm2 1.679 CV 1 OR { 1480} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HD2 )) ASSI { 1481} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HG1 )) 3.300 1.400 1.400 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 4.318 ppm2 1.386 CV 1 OR { 1481} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HG2 )) ASSI { 1482} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HE1 )) 4.000 2.000 2.000 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.44020E-03 ppm1 4.326 ppm2 3.003 CV 1 OR { 1482} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HE2 )) ASSI { 1483} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 2.500 0.800 0.800 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.65458E-02 ppm1 4.323 ppm2 2.646 CV 1 ASSI { 1484} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.700 0.900 0.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.40911E-02 ppm1 4.322 ppm2 2.481 CV 1 ASSI { 1485} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 2.400 0.700 0.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.41145E-02 ppm1 2.403 ppm2 7.476 CV 1 OR { 1485} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) ASSI { 1486} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.600 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.40108E-02 ppm1 4.664 ppm2 2.401 CV 1 OR { 1486} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) ASSI { 1487} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.26000E-02 ppm1 2.404 ppm2 0.326 CV 1 OR { 1487} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 58 and name HG2%) ASSI { 1488} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 66 and name HD2%) 3.800 1.800 1.800 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.83242E-03 ppm1 2.403 ppm2 0.620 CV 1 OR { 1488} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 66 and name HD2%) ASSI { 1489} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 58 and name HG12)) 4.600 2.600 1.400 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.51540E-03 ppm1 2.404 ppm2 0.814 CV 1 OR { 1489} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 58 and name HG12)) ASSI { 1490} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 3.000 1.100 1.100 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.20993E-02 ppm1 2.403 ppm2 1.959 CV 1 OR { 1490} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 59 and name HB2 )) ASSI { 1491} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.900 1.900 1.900 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.52189E-03 ppm1 2.405 ppm2 3.206 CV 1 OR { 1491} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HA )) ASSI { 1493} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 2.406 ppm2 7.598 CV 1 OR { 1493} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HN )) ASSI { 1494} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 75 and name HD% ) 4.800 2.900 1.200 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.60963E-03 ppm1 2.408 ppm2 6.819 CV 1 OR { 1494} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 75 and name HD% ) ASSI { 1496} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HN )) 3.600 1.700 1.700 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.12547E-02 ppm1 3.217 ppm2 7.723 CV 1 ASSI { 1497} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.23623E-02 ppm1 3.213 ppm2 7.596 CV 1 ASSI { 1498} (( segid " " and resid 63 and name HA )) (( segid " " and resid 65 and name HN )) 3.700 1.700 1.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.44082E-03 ppm1 3.211 ppm2 7.276 CV 1 ASSI { 1499} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 3.400 1.400 1.400 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.79674E-03 ppm1 3.212 ppm2 7.045 CV 1 ASSI { 1501} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.17817E-02 ppm1 0.781 ppm2 7.598 CV 1 ASSI { 1503} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.39269E-03 ppm1 0.827 ppm2 7.053 CV 1 ASSI { 1504} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HN )) 3.100 1.200 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.12990E-02 ppm1 0.780 ppm2 7.050 CV 1 ASSI { 1505} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H3A )) 3.400 1.400 1.400 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.50035E-03 ppm1 0.828 ppm2 6.007 CV 1 ASSI { 1506} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H2A )) 4.600 2.700 1.400 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.29654E-03 ppm1 0.830 ppm2 6.627 CV 1 ASSI { 1507} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H3A )) 4.300 2.300 1.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.55345E-03 ppm1 0.779 ppm2 6.022 CV 1 ASSI { 1508} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H2A )) 4.400 2.400 1.600 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.44685E-03 ppm1 0.779 ppm2 6.612 CV 1 ASSI { 1509} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 60 and name HA )) 4.500 2.500 1.500 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 0.829 ppm2 4.185 CV 1 ASSI { 1510} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.23041E-02 ppm1 0.780 ppm2 4.187 CV 1 ASSI { 1511} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.10665E-02 ppm1 0.778 ppm2 4.059 CV 1 ASSI { 1512} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HA )) 3.400 1.400 1.400 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.18167E-02 ppm1 0.781 ppm2 3.210 CV 1 ASSI { 1513} (( segid " " and resid 63 and name HB )) (( segid " " and resid 60 and name HA )) 4.300 2.300 1.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.39924E-03 ppm1 1.912 ppm2 4.190 CV 1 ASSI { 1515} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HB1 )) 4.600 2.600 1.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.90044E-03 ppm1 3.211 ppm2 2.229 CV 1 ASSI { 1517} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HG )) 2.400 0.700 0.700 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.36007E-02 ppm1 3.216 ppm2 1.788 CV 1 ASSI { 1519} (( segid " " and resid 63 and name HA )) ( segid " " and resid 63 and name HG2%) 2.400 0.700 0.700 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.47347E-02 ppm1 3.216 ppm2 0.825 CV 1 ASSI { 1522} (( segid " " and resid 63 and name HB )) ( segid " " and resid 63 and name HG1%) 2.400 0.700 0.700 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.39250E-02 ppm1 1.905 ppm2 0.807 CV 1 OR { 1522} (( segid " " and resid 63 and name HB )) ( segid " " and resid 63 and name HG2%) ASSI { 1524} (( segid " " and resid 63 and name HB )) ( segid " " and resid 58 and name HG2%) 2.800 1.000 1.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 1.904 ppm2 0.324 CV 1 ASSI { 1525} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 63 and name HB )) 2.500 0.800 0.800 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.25387E-02 ppm1 0.828 ppm2 1.905 CV 1 ASSI { 1526} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HB )) 2.500 0.800 0.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.31057E-02 ppm1 0.780 ppm2 1.896 CV 1 ASSI { 1533} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 58 and name HG2%) 3.800 1.800 1.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.12745E-02 ppm1 0.780 ppm2 0.334 CV 1 ASSI { 1538} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 58 and name HG2%) 2.800 0.900 0.900 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.41001E-02 ppm1 0.830 ppm2 0.328 CV 1 ASSI { 1540} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HN )) 2.800 1.000 1.000 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.18131E-02 ppm1 1.831 ppm2 7.056 CV 1 ASSI { 1541} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.600 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.28353E-02 ppm1 4.057 ppm2 7.047 CV 1 ASSI { 1543} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HE1 )) 3.200 1.300 1.300 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.16651E-02 ppm1 1.394 ppm2 2.988 CV 1 OR { 1543} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HE1 )) OR { 1543} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HE2 )) OR { 1543} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 64 and name HE2 )) ASSI { 1544} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HE2 )) 2.700 0.900 0.900 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.30632E-02 ppm1 1.679 ppm2 2.997 CV 1 OR { 1544} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HE1 )) OR { 1544} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HE1 )) OR { 1544} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HE2 )) ASSI { 1545} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 3.300 1.400 1.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.83491E-03 ppm1 4.055 ppm2 7.273 CV 1 ASSI { 1546} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HN )) 4.600 2.600 1.400 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.50934E-03 ppm1 1.683 ppm2 7.050 CV 1 OR { 1546} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HN )) ASSI { 1547} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 65 and name HN )) 3.900 1.900 1.900 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.51040E-03 ppm1 1.390 ppm2 7.271 CV 1 OR { 1547} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 65 and name HN )) ASSI { 1548} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HA )) 2.600 0.800 0.800 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.26583E-02 ppm1 1.827 ppm2 4.058 CV 1 ASSI { 1549} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HA )) 2.600 0.900 0.900 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.29184E-02 ppm1 1.762 ppm2 4.058 CV 1 ASSI { 1552} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HA )) 5.100 3.200 0.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.42815E-03 ppm1 1.677 ppm2 4.059 CV 1 OR { 1552} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HA )) ASSI { 1553} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG1 )) 3.100 1.200 1.200 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.25305E-02 ppm1 4.059 ppm2 1.392 CV 1 OR { 1553} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HG2 )) ASSI { 1554} (( segid " " and resid 64 and name HA )) ( segid " " and resid 63 and name HG1%) 3.300 1.300 1.300 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.93970E-03 ppm1 4.062 ppm2 0.799 CV 1 OR { 1554} (( segid " " and resid 64 and name HA )) ( segid " " and resid 63 and name HG2%) ASSI { 1555} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG2 )) 2.500 0.800 0.800 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.43377E-02 ppm1 1.830 ppm2 1.395 CV 1 OR { 1555} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HG1 )) ASSI { 1556} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG1 )) 2.600 0.900 0.900 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.31861E-02 ppm1 1.764 ppm2 1.394 CV 1 OR { 1556} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HG2 )) ASSI { 1558} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HN )) 4.100 2.100 1.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.11568E-02 ppm1 3.047 ppm2 7.277 CV 1 ASSI { 1559} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.19867E-02 ppm1 2.733 ppm2 7.272 CV 1 ASSI { 1561} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HN )) 3.800 1.800 1.800 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.14735E-02 ppm1 3.050 ppm2 7.732 CV 1 ASSI { 1562} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HN )) 3.400 1.400 1.400 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.18904E-02 ppm1 2.736 ppm2 7.731 CV 1 ASSI { 1565} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.49308E-02 ppm1 4.883 ppm2 3.052 CV 1 ASSI { 1567} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HN )) 4.200 2.200 1.800 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.92897E-03 ppm1 0.623 ppm2 7.735 CV 1 ASSI { 1572} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 71 and name HN )) 4.800 2.800 1.200 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.35398E-03 ppm1 0.620 ppm2 8.359 CV 1 ASSI { 1573} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HN )) 4.200 2.200 1.800 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.73019E-03 ppm1 0.619 ppm2 8.175 CV 1 ASSI { 1574} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 75 and name HN )) 4.400 2.400 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.71755E-03 ppm1 0.623 ppm2 7.930 CV 1 ASSI { 1575} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 75 and name HD% ) 2.900 1.000 1.000 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 0.622 ppm2 6.824 CV 1 ASSI { 1577} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 75 and name HE% ) 3.600 1.700 1.700 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.51746E-03 ppm1 0.621 ppm2 6.560 CV 1 ASSI { 1578} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HA )) 2.300 0.600 0.600 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.57115E-02 ppm1 0.621 ppm2 4.508 CV 1 ASSI { 1579} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.000 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.13467E-02 ppm1 2.244 ppm2 4.510 CV 1 ASSI { 1580} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 3.100 1.200 1.200 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.18971E-02 ppm1 0.897 ppm2 4.519 CV 1 ASSI { 1581} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HA )) 4.900 3.000 1.100 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.58182E-03 ppm1 0.383 ppm2 4.518 CV 1 ASSI { 1584} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 72 and name HA )) 2.500 0.800 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.31271E-02 ppm1 0.622 ppm2 4.113 CV 1 ASSI { 1586} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 71 and name HB2 )) 3.100 1.200 1.200 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.25109E-02 ppm1 0.623 ppm2 2.900 CV 1 ASSI { 1587} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 65 and name HB2 )) 3.400 1.400 1.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.63704E-03 ppm1 0.620 ppm2 2.729 CV 1 ASSI { 1588} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.25879E-02 ppm1 0.381 ppm2 3.208 CV 1 ASSI { 1590} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HB1 )) 2.700 0.900 0.900 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.26159E-02 ppm1 0.380 ppm2 2.237 CV 1 ASSI { 1591} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 63 and name HB )) 4.500 2.600 1.500 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.54243E-03 ppm1 0.379 ppm2 1.893 CV 1 ASSI { 1592} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 72 and name HB% ) 3.000 1.100 1.100 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.11583E-02 ppm1 0.379 ppm2 1.601 CV 1 ASSI { 1596} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HG )) 2.400 0.700 0.700 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.42181E-02 ppm1 0.622 ppm2 1.781 CV 1 ASSI { 1597} ( segid " " and resid 66 and name HD2%) ( segid " " and resid 72 and name HB% ) 3.500 1.500 1.500 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 0.620 ppm2 1.596 CV 1 ASSI { 1598} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HB1 )) 2.900 1.100 1.100 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 0.621 ppm2 2.234 CV 1 ASSI { 1599} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 66 and name HD2%) 2.400 0.700 0.700 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.58894E-02 ppm1 0.380 ppm2 0.631 CV 1 ASSI { 1600} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H7A )) 3.200 1.300 1.300 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.15384E-02 ppm1 0.377 ppm2 0.967 CV 1 OR { 1600} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H7B )) ASSI { 1601} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HB2 )) 2.600 0.900 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.27623E-02 ppm1 0.381 ppm2 0.891 CV 1 ASSI { 1602} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 63 and name HG2%) 2.700 0.900 0.900 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.18494E-02 ppm1 0.380 ppm2 0.813 CV 1 ASSI { 1603} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H6A )) 3.100 1.200 1.200 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.13589E-02 ppm1 0.379 ppm2 0.748 CV 1 OR { 1603} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 40 and name H5B )) ASSI { 1606} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HG )) 3.100 1.200 1.200 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.20074E-02 ppm1 2.239 ppm2 1.782 CV 1 ASSI { 1608} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 3.000 1.100 1.100 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.17131E-02 ppm1 4.473 ppm2 8.162 CV 1 ASSI { 1609} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HN )) 2.700 0.900 0.900 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.26817E-02 ppm1 2.065 ppm2 8.156 CV 1 OR { 1609} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HN )) ASSI { 1610} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HN )) 3.000 1.100 1.100 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.16028E-02 ppm1 2.066 ppm2 8.557 CV 1 OR { 1610} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HN )) ASSI { 1611} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 71 and name HN )) 4.200 2.200 1.800 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.65808E-03 ppm1 2.069 ppm2 8.340 CV 1 OR { 1611} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 71 and name HN )) ASSI { 1613} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG1 )) 2.600 0.800 0.800 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.27341E-02 ppm1 2.063 ppm2 1.581 CV 1 OR { 1613} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG1 )) ASSI { 1614} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HG2 )) 2.800 1.000 1.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.24877E-02 ppm1 2.062 ppm2 1.474 CV 1 OR { 1614} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 1615} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) 3.100 1.200 1.200 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.19151E-02 ppm1 2.066 ppm2 1.749 CV 1 OR { 1615} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD1 )) OR { 1615} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD1 )) OR { 1615} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) ASSI { 1616} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HN )) 4.300 2.300 1.700 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.76577E-03 ppm1 1.575 ppm2 8.159 CV 1 ASSI { 1617} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HN )) 3.600 1.700 1.700 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.78147E-03 ppm1 1.467 ppm2 8.156 CV 1 ASSI { 1618} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HN )) 4.900 3.000 1.100 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.38888E-03 ppm1 1.770 ppm2 8.147 CV 1 OR { 1618} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HN )) ASSI { 1619} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HE2 )) 3.700 1.700 1.700 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.71093E-03 ppm1 1.471 ppm2 3.097 CV 1 OR { 1619} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HE1 )) ASSI { 1620} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) 2.600 0.900 0.900 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.34062E-02 ppm1 2.058 ppm2 4.469 CV 1 OR { 1620} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HA )) ASSI { 1621} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HA )) 3.800 1.800 1.800 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.61247E-03 ppm1 1.578 ppm2 4.479 CV 1 ASSI { 1622} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HA )) 3.500 1.500 1.500 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.10450E-02 ppm1 1.467 ppm2 4.471 CV 1 ASSI { 1623} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) 4.200 2.200 1.800 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.15119E-02 ppm1 1.765 ppm2 4.467 CV 1 OR { 1623} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) ASSI { 1625} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HE1 )) 3.800 1.800 1.800 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.66985E-03 ppm1 1.578 ppm2 3.100 CV 1 OR { 1625} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HE2 )) ASSI { 1626} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.15020E-02 ppm1 5.230 ppm2 8.558 CV 1 ASSI { 1627} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HA )) 2.300 0.700 0.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.37224E-02 ppm1 4.331 ppm2 5.228 CV 1 ASSI { 1628} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 2.600 0.800 0.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.39191E-02 ppm1 1.059 ppm2 5.226 CV 1 ASSI { 1632} (( segid " " and resid 68 and name HB )) (( segid " " and resid 31 and name HA )) 3.300 1.400 1.400 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.63782E-03 ppm1 4.330 ppm2 4.921 CV 1 ASSI { 1633} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HG1 )) 3.300 1.300 1.300 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.62031E-03 ppm1 4.318 ppm2 5.357 CV 1 ASSI { 1634} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) 2.800 2.800 3.200 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.58391E-02 ppm1 5.227 ppm2 8.133 CV 1 ASSI { 1635} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HN )) 4.400 2.400 1.600 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.78147E-03 ppm1 1.056 ppm2 9.408 CV 1 ASSI { 1636} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) 2.800 1.000 1.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.24206E-02 ppm1 4.328 ppm2 9.413 CV 1 ASSI { 1637} (( segid " " and resid 68 and name HB )) (( segid " " and resid 30 and name HN )) 3.500 1.500 1.500 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.55582E-03 ppm1 4.336 ppm2 7.499 CV 1 ASSI { 1639} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HN )) 4.000 2.000 2.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.99305E-03 ppm1 1.053 ppm2 8.372 CV 1 ASSI { 1640} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 3.700 1.700 1.700 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.21789E-02 ppm1 1.057 ppm2 8.141 CV 1 ASSI { 1641} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.30507E-02 ppm1 1.055 ppm2 8.558 CV 1 ASSI { 1642} (( segid " " and resid 68 and name HB )) (( segid " " and resid 71 and name HN )) 4.200 2.200 1.800 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.63707E-03 ppm1 4.329 ppm2 8.380 CV 1 ASSI { 1643} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HG1 )) 3.200 1.300 1.300 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.97005E-03 ppm1 1.054 ppm2 5.377 CV 1 ASSI { 1644} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 31 and name HA )) 2.400 0.700 0.700 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.22542E-02 ppm1 1.056 ppm2 4.918 CV 1 ASSI { 1645} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HA )) 3.600 1.600 1.600 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.14977E-02 ppm1 1.055 ppm2 4.477 CV 1 ASSI { 1646} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.100 0.600 0.600 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.72972E-02 ppm1 1.055 ppm2 4.330 CV 1 ASSI { 1647} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 31 and name HB1 )) 3.300 1.300 1.300 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.16907E-02 ppm1 1.056 ppm2 4.087 CV 1 ASSI { 1649} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HE2 )) 2.700 2.700 3.300 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.72941E-03 ppm1 1.057 ppm2 3.097 CV 1 OR { 1649} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HE1 )) ASSI { 1650} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HB )) 4.500 2.500 1.500 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.12704E-02 ppm1 4.328 ppm2 2.267 CV 1 ASSI { 1652} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HB1 )) 4.500 2.500 1.500 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.52414E-03 ppm1 5.230 ppm2 2.062 CV 1 OR { 1652} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI { 1653} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HB1 )) 3.000 1.100 1.100 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.50104E-02 ppm1 1.055 ppm2 2.054 CV 1 OR { 1653} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HB2 )) ASSI { 1654} (( segid " " and resid 68 and name HA )) ( segid " " and resid 69 and name HG1%) 3.500 1.500 1.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11547E-02 ppm1 5.228 ppm2 0.455 CV 1 ASSI { 1655} (( segid " " and resid 68 and name HB )) ( segid " " and resid 69 and name HG1%) 4.300 2.300 1.700 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.90690E-03 ppm1 4.323 ppm2 0.462 CV 1 ASSI { 1659} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.500 0.800 0.800 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.20845E-02 ppm1 3.386 ppm2 8.124 CV 1 ASSI { 1660} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 69 and name HN )) 2.200 0.600 0.600 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.58235E-02 ppm1 0.458 ppm2 8.122 CV 1 ASSI { 1662} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.500 1.500 1.500 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.58756E-03 ppm1 3.387 ppm2 9.410 CV 1 ASSI { 1664} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 70 and name HN )) 4.300 2.300 1.700 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.76555E-03 ppm1 0.459 ppm2 9.413 CV 1 ASSI { 1665} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 70 and name HN )) 3.100 1.200 1.200 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.99199E-03 ppm1 0.655 ppm2 9.410 CV 1 ASSI { 1667} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name HN )) 4.100 2.100 1.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.38860E-03 ppm1 3.386 ppm2 8.635 CV 1 ASSI { 1668} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 73 and name HN )) 3.700 1.700 1.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.67082E-03 ppm1 0.655 ppm2 8.636 CV 1 ASSI { 1669} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 71 and name HN )) 4.800 2.900 1.200 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.43193E-03 ppm1 0.660 ppm2 8.372 CV 1 ASSI { 1670} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 32 and name HD% ) 4.100 2.100 1.900 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.46164E-03 ppm1 0.454 ppm2 7.168 CV 1 ASSI { 1671} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 32 and name HE% ) 3.100 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 0.458 ppm2 6.983 CV 1 ASSI { 1672} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 32 and name HZ )) 2.800 1.000 1.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.13105E-02 ppm1 0.455 ppm2 6.868 CV 1 ASSI { 1674} (( segid " " and resid 69 and name HA )) ( segid " " and resid 32 and name HD% ) 4.800 2.900 1.200 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.27727E-03 ppm1 3.384 ppm2 7.184 CV 1 ASSI { 1676} (( segid " " and resid 69 and name HA )) (( segid " " and resid 32 and name HZ )) 2.600 0.800 0.800 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.33741E-02 ppm1 3.387 ppm2 6.870 CV 1 ASSI { 1678} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 32 and name HZ )) 4.300 2.300 1.700 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.79917E-03 ppm1 0.661 ppm2 6.863 CV 1 ASSI { 1679} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 27 and name HN )) 3.500 1.500 1.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.84821E-03 ppm1 0.459 ppm2 6.367 CV 1 ASSI { 1682} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 69 and name HA )) 2.300 0.700 0.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.50278E-02 ppm1 0.459 ppm2 3.381 CV 1 ASSI { 1692} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HG )) 4.200 2.200 1.800 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.83638E-03 ppm1 0.659 ppm2 1.723 CV 1 OR { 1692} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 28 and name HB1 )) ASSI { 1693} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 69 and name HB )) 2.200 0.600 0.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.65864E-02 ppm1 0.458 ppm2 2.284 CV 1 ASSI { 1695} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 72 and name HB% ) 3.800 1.800 1.800 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.12539E-02 ppm1 0.459 ppm2 1.596 CV 1 ASSI { 1697} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 30 and name HB2 )) 2.800 1.000 1.000 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.12107E-02 ppm1 0.458 ppm2 1.351 CV 1 ASSI { 1699} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB )) 2.800 1.000 1.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.14795E-02 ppm1 3.387 ppm2 2.285 CV 1 ASSI { 1701} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 69 and name HG2%) 2.000 0.500 0.500 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.12277E-01 ppm1 0.459 ppm2 0.649 CV 1 ASSI { 1707} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HG2%) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.49367E-02 ppm1 3.388 ppm2 0.652 CV 1 ASSI { 1708} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 70 and name HA1 )) 1.800 0.400 0.400 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.11350E-01 ppm1 3.798 ppm2 4.009 CV 1 ASSI { 1709} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 70 and name HN )) 2.300 0.700 0.700 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.39238E-02 ppm1 4.010 ppm2 9.411 CV 1 ASSI { 1710} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 70 and name HN )) 3.000 1.100 1.100 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 3.798 ppm2 9.412 CV 1 ASSI { 1712} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 71 and name HN )) 3.900 1.900 1.900 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.76340E-03 ppm1 3.790 ppm2 8.375 CV 1 ASSI { 1715} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 73 and name HN )) 5.000 3.100 1.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.26500E-03 ppm1 4.025 ppm2 8.643 CV 1 ASSI { 1716} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 73 and name HB )) 2.700 0.900 0.900 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.18141E-02 ppm1 3.794 ppm2 4.191 CV 1 ASSI { 1717} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 73 and name HB )) 4.400 2.400 1.600 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.58763E-03 ppm1 4.011 ppm2 4.163 CV 1 ASSI { 1719} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 28 and name HA )) 3.800 1.800 1.800 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.99055E-03 ppm1 4.009 ppm2 3.583 CV 1 ASSI { 1722} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 28 and name HA )) 3.400 1.400 1.400 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.94070E-03 ppm1 3.791 ppm2 3.584 CV 1 ASSI { 1729} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 73 and name HG2%) 5.000 3.100 1.000 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.48349E-03 ppm1 4.012 ppm2 1.106 CV 1 ASSI { 1730} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 28 and name HD2%) 4.900 3.000 1.100 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.36606E-03 ppm1 4.000 ppm2 0.915 CV 1 ASSI { 1731} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 28 and name HD1%) 3.500 1.500 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.25219E-02 ppm1 4.011 ppm2 0.812 CV 1 ASSI { 1732} (( segid " " and resid 70 and name HA1 )) ( segid " " and resid 69 and name HG2%) 4.800 2.900 1.200 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.32067E-03 ppm1 4.019 ppm2 0.633 CV 1 ASSI { 1733} (( segid " " and resid 70 and name HA2 )) ( segid " " and resid 69 and name HG2%) 4.000 2.000 2.000 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.46626E-03 ppm1 3.814 ppm2 0.647 CV 1 ASSI { 1734} (( segid " " and resid 70 and name HA2 )) ( segid " " and resid 28 and name HD2%) 3.500 1.500 1.500 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.42181E-03 ppm1 3.803 ppm2 0.916 CV 1 ASSI { 1736} (( segid " " and resid 70 and name HA2 )) ( segid " " and resid 73 and name HG2%) 3.700 1.700 1.700 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.79040E-03 ppm1 3.804 ppm2 1.097 CV 1 ASSI { 1737} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 2.900 1.000 1.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.24398E-02 ppm1 4.493 ppm2 8.368 CV 1 ASSI { 1739} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.200 1.300 1.300 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 2.903 ppm2 8.201 CV 1 ASSI { 1740} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 68 and name HN )) 2.900 1.000 1.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.15206E-02 ppm1 2.904 ppm2 8.552 CV 1 ASSI { 1742} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.400 1.500 1.500 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.79730E-03 ppm1 4.492 ppm2 8.011 CV 1 ASSI { 1743} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HA )) 2.700 0.900 0.900 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.32873E-02 ppm1 3.089 ppm2 4.501 CV 1 ASSI { 1744} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 2.700 0.900 0.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.48415E-02 ppm1 2.903 ppm2 4.498 CV 1 ASSI { 1745} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 66 and name HD2%) 3.200 1.300 1.300 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.11797E-02 ppm1 3.090 ppm2 0.621 CV 1 ASSI { 1750} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.20670E-02 ppm1 4.112 ppm2 8.215 CV 1 ASSI { 1751} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 72 and name HA )) 2.200 0.600 0.600 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.53022E-02 ppm1 1.611 ppm2 4.112 CV 1 ASSI { 1756} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 32 and name HE% ) 2.700 0.900 0.900 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.27155E-02 ppm1 1.610 ppm2 6.984 CV 1 ASSI { 1758} (( segid " " and resid 72 and name HA )) ( segid " " and resid 75 and name HD% ) 4.500 2.600 1.500 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.53687E-03 ppm1 4.109 ppm2 6.822 CV 1 ASSI { 1759} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 73 and name HA )) 3.700 1.700 1.700 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.67681E-03 ppm1 1.611 ppm2 3.677 CV 1 ASSI { 1760} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 69 and name HA )) 2.700 0.900 0.900 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.20524E-02 ppm1 1.610 ppm2 3.382 CV 1 ASSI { 1761} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 75 and name HB1 )) 4.800 2.800 1.200 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.38888E-03 ppm1 1.608 ppm2 3.111 CV 1 OR { 1761} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 75 and name HB2 )) ASSI { 1762} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.300 0.700 0.700 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.34605E-02 ppm1 4.112 ppm2 3.120 CV 1 OR { 1762} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 1763} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HB2 )) 4.300 2.300 1.700 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.33026E-03 ppm1 4.110 ppm2 2.896 CV 1 ASSI { 1765} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HG11)) 4.100 2.100 1.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.38370E-03 ppm1 4.122 ppm2 1.995 CV 1 ASSI { 1769} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 76 and name HG11)) 3.600 1.600 1.600 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.40333E-03 ppm1 1.604 ppm2 1.979 CV 1 ASSI { 1770} (( segid " " and resid 72 and name HA )) ( segid " " and resid 66 and name HD1%) 2.700 0.900 0.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.30109E-02 ppm1 4.115 ppm2 0.383 CV 1 ASSI { 1774} ( segid " " and resid 72 and name HB% ) ( segid " " and resid 40 and name H8% ) 2.500 0.800 0.800 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.47887E-02 ppm1 1.611 ppm2 0.636 CV 1 ASSI { 1780} (( segid " " and resid 73 and name HB )) ( segid " " and resid 73 and name HG2%) 2.200 0.600 0.600 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.53391E-02 ppm1 4.189 ppm2 1.109 CV 1 ASSI { 1781} (( segid " " and resid 73 and name HB )) (( segid " " and resid 74 and name HN )) 2.400 0.700 0.700 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.25653E-02 ppm1 4.185 ppm2 8.012 CV 1 ASSI { 1782} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 73 and name HN )) 3.700 1.700 1.700 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.18745E-02 ppm1 1.113 ppm2 8.642 CV 1 ASSI { 1783} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 74 and name HN )) 3.400 1.400 1.400 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 1.112 ppm2 8.015 CV 1 ASSI { 1785} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 8 and name HN )) 3.100 1.200 1.200 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.20311E-02 ppm1 1.111 ppm2 8.390 CV 1 ASSI { 1790} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 73 and name HA )) 2.100 0.600 0.600 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.10553E-01 ppm1 1.112 ppm2 3.682 CV 1 ASSI { 1794} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HD1 )) 3.500 1.500 1.500 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.22633E-02 ppm1 3.678 ppm2 1.777 CV 1 ASSI { 1796} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HB1 )) 2.700 0.900 0.900 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.52601E-02 ppm1 1.112 ppm2 2.167 CV 1 OR { 1796} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HG2 )) ASSI { 1802} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 7 and name HD1%) 2.300 0.700 0.700 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.80604E-02 ppm1 1.112 ppm2 0.548 CV 1 OR { 1802} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 7 and name HG2%) ASSI { 1803} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 77 and name HD1%) 2.300 0.600 0.600 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.74917E-02 ppm1 1.112 ppm2 0.823 CV 1 OR { 1803} ( segid " " and resid 73 and name HG2%) ( segid " " and resid 77 and name HD2%) ASSI { 1805} (( segid " " and resid 73 and name HA )) ( segid " " and resid 7 and name HG2%) 2.200 0.600 0.600 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.67849E-02 ppm1 3.677 ppm2 0.557 CV 1 OR { 1805} (( segid " " and resid 73 and name HA )) ( segid " " and resid 7 and name HD1%) ASSI { 1806} (( segid " " and resid 73 and name HA )) ( segid " " and resid 77 and name HD1%) 3.600 1.700 1.700 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.14644E-02 ppm1 3.677 ppm2 0.858 CV 1 OR { 1806} (( segid " " and resid 73 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 1808} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.25444E-02 ppm1 3.944 ppm2 8.013 CV 1 ASSI { 1811} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 2.500 0.800 0.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.28321E-02 ppm1 1.977 ppm2 3.939 CV 1 ASSI { 1812} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 71 and name HA )) 3.400 1.400 1.400 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.85736E-03 ppm1 1.913 ppm2 4.502 CV 1 ASSI { 1814} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG1 )) 2.700 0.900 0.900 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.26375E-02 ppm1 1.979 ppm2 1.465 CV 1 OR { 1814} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG2 )) ASSI { 1815} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HG2 )) 2.700 0.900 0.900 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.25079E-02 ppm1 1.913 ppm2 1.460 CV 1 OR { 1815} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HG1 )) ASSI { 1816} (( segid " " and resid 74 and name HA )) ( segid " " and resid 77 and name HD1%) 2.500 0.800 0.800 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.32351E-02 ppm1 3.943 ppm2 0.823 CV 1 OR { 1816} (( segid " " and resid 74 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 1817} (( segid " " and resid 74 and name HA )) ( segid " " and resid 73 and name HG2%) 3.500 1.500 1.500 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.71617E-03 ppm1 3.948 ppm2 1.107 CV 1 ASSI { 1818} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG2 )) 2.900 1.100 1.100 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.24173E-02 ppm1 3.942 ppm2 1.467 CV 1 OR { 1818} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG1 )) ASSI { 1820} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.49857E-02 ppm1 3.943 ppm2 1.906 CV 1 ASSI { 1823} (( segid " " and resid 74 and name HD1 )) (( segid " " and resid 74 and name HA )) 4.100 2.100 1.900 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.32579E-03 ppm1 1.779 ppm2 3.930 CV 1 ASSI { 1824} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HE1 )) 2.800 1.000 1.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.19197E-02 ppm1 1.655 ppm2 3.039 CV 1 OR { 1824} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HE2 )) ASSI { 1826} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 3.200 1.200 1.200 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.93530E-03 ppm1 3.943 ppm2 7.935 CV 1 ASSI { 1827} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.800 1.000 1.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.27960E-02 ppm1 4.232 ppm2 7.933 CV 1 ASSI { 1829} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.400 0.700 0.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.50494E-02 ppm1 4.232 ppm2 3.120 CV 1 OR { 1829} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 1831} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB2 )) 3.500 1.500 1.500 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.91670E-03 ppm1 4.234 ppm2 2.224 CV 1 ASSI { 1832} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HG1 )) 3.800 1.800 1.800 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.44513E-03 ppm1 4.240 ppm2 1.462 CV 1 OR { 1832} (( segid " " and resid 75 and name HA )) (( segid " " and resid 74 and name HG2 )) ASSI { 1837} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB2 )) 2.400 0.700 0.700 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.39893E-02 ppm1 6.825 ppm2 3.120 CV 1 OR { 1837} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB1 )) ASSI { 1838} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HB2 )) 3.800 1.800 1.800 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.17030E-02 ppm1 6.557 ppm2 3.112 CV 1 OR { 1838} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HB1 )) ASSI { 1843} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD% ) 3.100 1.200 1.200 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.17090E-02 ppm1 4.233 ppm2 6.824 CV 1 ASSI { 1844} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HD2 )) 3.900 1.900 1.900 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.42290E-03 ppm1 4.227 ppm2 6.998 CV 1 ASSI { 1850} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 58 and name HA )) 3.800 1.800 1.800 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.15951E-02 ppm1 6.556 ppm2 4.493 CV 1 ASSI { 1851} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 75 and name HA )) 4.600 2.600 1.400 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.41086E-03 ppm1 6.561 ppm2 4.235 CV 1 ASSI { 1854} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 76 and name HG11)) 4.200 2.200 1.800 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.92519E-03 ppm1 6.553 ppm2 1.990 CV 1 ASSI { 1855} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 62 and name HB2 )) 3.200 1.300 1.300 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.28196E-02 ppm1 6.555 ppm2 2.398 CV 1 OR { 1855} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 62 and name HB1 )) ASSI { 1856} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 76 and name HG11)) 3.200 1.300 1.300 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.77458E-03 ppm1 6.827 ppm2 1.998 CV 1 ASSI { 1861} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 58 and name HG12)) 2.800 1.000 1.000 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.26126E-02 ppm1 6.555 ppm2 0.832 CV 1 ASSI { 1864} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.17803E-02 ppm1 6.557 ppm2 0.326 CV 1 ASSI { 1866} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.600 0.800 0.800 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.25190E-02 ppm1 3.498 ppm2 8.528 CV 1 ASSI { 1867} (( segid " " and resid 76 and name HB )) (( segid " " and resid 76 and name HN )) 2.100 0.500 0.500 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.50260E-02 ppm1 1.779 ppm2 8.523 CV 1 ASSI { 1869} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB )) 2.700 0.900 0.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.21274E-02 ppm1 3.502 ppm2 1.774 CV 1 ASSI { 1871} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 76 and name HA )) 2.600 0.800 0.800 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.20833E-02 ppm1 0.925 ppm2 3.496 CV 1 ASSI { 1878} (( segid " " and resid 76 and name HG12)) ( segid " " and resid 75 and name HD% ) 3.900 1.900 1.900 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.47884E-03 ppm1 0.930 ppm2 6.828 CV 1 ASSI { 1880} (( segid " " and resid 76 and name HA )) ( segid " " and resid 75 and name HD% ) 2.900 1.100 1.100 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.15665E-02 ppm1 3.499 ppm2 6.823 CV 1 ASSI { 1881} (( segid " " and resid 76 and name HA )) ( segid " " and resid 75 and name HE% ) 4.400 2.400 1.600 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.43168E-03 ppm1 3.501 ppm2 6.547 CV 1 ASSI { 1886} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HB2 )) 4.900 3.000 1.100 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.40021E-03 ppm1 0.533 ppm2 2.136 CV 1 ASSI { 1891} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG11)) 2.600 0.800 0.800 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.29616E-02 ppm1 3.499 ppm2 1.988 CV 1 ASSI { 1892} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HB2 )) 3.000 1.100 1.100 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.86117E-03 ppm1 3.500 ppm2 2.503 CV 1 ASSI { 1893} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HD1%) 3.800 1.800 1.800 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.19862E-02 ppm1 3.502 ppm2 0.631 CV 1 ASSI { 1894} (( segid " " and resid 76 and name HA )) ( segid " " and resid 76 and name HG2%) 2.300 0.700 0.700 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.51465E-02 ppm1 3.501 ppm2 0.524 CV 1 ASSI { 1896} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 76 and name HG2%) 3.400 1.400 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.20984E-02 ppm1 1.993 ppm2 0.523 CV 1 ASSI { 1897} (( segid " " and resid 76 and name HG11)) (( segid " " and resid 76 and name HG12)) 1.500 0.300 0.700 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.91695E-02 ppm1 1.995 ppm2 0.918 CV 1 ASSI { 1899} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 76 and name HG12)) 2.400 0.700 0.700 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.26292E-02 ppm1 0.529 ppm2 0.928 CV 1 ASSI { 1900} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 7 and name HG12)) 3.400 1.400 1.400 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.51639E-03 ppm1 0.523 ppm2 0.251 CV 1 ASSI { 1901} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 73 and name HA )) 3.300 1.300 1.300 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.15132E-02 ppm1 0.625 ppm2 3.677 CV 1 ASSI { 1903} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HB1 )) 3.100 1.200 1.200 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.36850E-03 ppm1 0.623 ppm2 3.138 CV 1 OR { 1903} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 1905} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HB )) 2.300 0.600 0.600 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.46970E-02 ppm1 0.623 ppm2 1.774 CV 1 ASSI { 1906} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HG11)) 2.100 0.500 0.500 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.61585E-02 ppm1 0.624 ppm2 1.987 CV 1 ASSI { 1907} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 72 and name HB% ) 2.700 0.900 0.900 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.18582E-02 ppm1 0.625 ppm2 1.602 CV 1 ASSI { 1908} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 50 and name HB% ) 2.900 1.000 1.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.28577E-02 ppm1 0.623 ppm2 1.500 CV 1 ASSI { 1909} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 54 and name HD% ) 3.100 1.200 1.200 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.22246E-02 ppm1 0.624 ppm2 7.462 CV 1 OR { 1909} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 54 and name HZ )) ASSI { 1910} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 54 and name HE% ) 3.100 1.200 1.200 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.68767E-03 ppm1 0.626 ppm2 7.134 CV 1 ASSI { 1911} ( segid " " and resid 76 and name HD1%) ( segid " " and resid 75 and name HD% ) 2.700 2.700 3.300 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.77227E-03 ppm1 0.627 ppm2 6.829 CV 1 ASSI { 1913} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) 2.600 0.800 0.800 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.28852E-02 ppm1 3.893 ppm2 8.498 CV 1 ASSI { 1915} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 2.400 0.700 0.700 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.25470E-02 ppm1 1.684 ppm2 8.499 CV 1 ASSI { 1916} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HN )) 2.600 0.800 0.800 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.15715E-02 ppm1 1.626 ppm2 8.496 CV 1 ASSI { 1917} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) 2.300 0.600 0.600 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.57552E-02 ppm1 0.827 ppm2 3.893 CV 1 OR { 1917} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) ASSI { 1918} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.11819E-02 ppm1 1.630 ppm2 3.903 CV 1 ASSI { 1919} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.500 0.800 0.800 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.26949E-02 ppm1 1.764 ppm2 3.906 CV 1 ASSI { 1920} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) 2.900 1.100 1.100 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.25388E-02 ppm1 1.684 ppm2 3.904 CV 1 ASSI { 1924} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HE21)) 3.300 1.300 1.300 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 3.898 ppm2 7.641 CV 1 ASSI { 1926} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HA )) 2.800 1.000 1.000 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.25010E-02 ppm1 0.824 ppm2 3.696 CV 1 OR { 1926} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 4 and name HA )) ASSI { 1928} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 78 and name HN )) 5.100 3.200 0.900 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.41772E-03 ppm1 0.823 ppm2 8.263 CV 1 OR { 1928} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 78 and name HN )) ASSI { 1929} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HN )) 4.300 2.300 1.700 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.81057E-03 ppm1 0.822 ppm2 8.510 CV 1 OR { 1929} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HN )) ASSI { 1930} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 4 and name HN )) 3.200 1.300 1.300 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.12468E-02 ppm1 0.823 ppm2 9.240 CV 1 OR { 1930} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 4 and name HN )) ASSI { 1936} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 76 and name HG2%) 4.100 2.100 1.900 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 1.761 ppm2 0.526 CV 1 ASSI { 1937} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 76 and name HG2%) 4.000 2.000 2.000 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.12059E-02 ppm1 1.683 ppm2 0.531 CV 1 ASSI { 1938} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) 2.500 0.800 0.800 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.41320E-02 ppm1 1.764 ppm2 0.829 CV 1 OR { 1938} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) ASSI { 1939} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) 2.700 0.900 0.900 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.34302E-02 ppm1 1.680 ppm2 0.829 CV 1 OR { 1939} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD2%) ASSI { 1940} (( segid " " and resid 77 and name HA )) ( segid " " and resid 76 and name HG2%) 2.500 0.800 0.800 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.44363E-02 ppm1 3.892 ppm2 0.526 CV 1 ASSI { 1942} (( segid " " and resid 77 and name HG )) ( segid " " and resid 76 and name HG2%) 3.600 1.600 1.600 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.13542E-02 ppm1 1.625 ppm2 0.523 CV 1 ASSI { 1943} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 76 and name HG2%) 2.800 1.000 1.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.54714E-02 ppm1 0.826 ppm2 0.529 CV 1 OR { 1943} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 76 and name HG2%) ASSI { 1944} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HG2 )) 2.700 0.900 0.900 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.11727E-02 ppm1 3.897 ppm2 2.586 CV 1 ASSI { 1947} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.24406E-02 ppm1 2.224 ppm2 8.252 CV 1 ASSI { 1948} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.700 0.900 0.900 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.40767E-02 ppm1 4.384 ppm2 8.252 CV 1 ASSI { 1949} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 79 and name HN )) 4.500 2.500 1.500 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.47613E-03 ppm1 2.224 ppm2 7.713 CV 1 ASSI { 1950} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HN )) 3.300 1.400 1.400 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.14303E-02 ppm1 4.386 ppm2 7.713 CV 1 ASSI { 1952} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HA )) 2.800 0.900 0.900 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.32099E-02 ppm1 2.224 ppm2 4.382 CV 1 ASSI { 1954} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 75 and name HA )) 3.400 1.400 1.400 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.10246E-02 ppm1 2.535 ppm2 4.232 CV 1 ASSI { 1955} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HB1 )) 4.000 2.000 2.000 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.89766E-03 ppm1 7.002 ppm2 3.593 CV 1 ASSI { 1956} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HB2 )) 3.200 1.200 1.200 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 7.002 ppm2 2.505 CV 1 ASSI { 1958} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.300 1.300 1.300 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.14564E-02 ppm1 2.503 ppm2 4.626 CV 1 ASSI { 1959} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 56 and name HG2%) 2.800 1.000 1.000 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.12489E-02 ppm1 3.579 ppm2 0.957 CV 1 ASSI { 1960} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 56 and name HG2%) 3.100 1.200 1.200 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 2.509 ppm2 0.952 CV 1 ASSI { 1961} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 80 and name HN )) 4.100 2.100 1.900 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.56116E-03 ppm1 3.582 ppm2 7.868 CV 1 ASSI { 1962} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HN )) 3.800 1.800 1.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.13144E-02 ppm1 3.584 ppm2 7.711 CV 1 ASSI { 1966} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 2.700 0.900 0.900 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.29364E-02 ppm1 4.628 ppm2 3.584 CV 1 ASSI { 1967} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HN )) 2.700 0.900 0.900 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.26198E-02 ppm1 4.412 ppm2 7.861 CV 1 ASSI { 1971} (( segid " " and resid 80 and name HB2 )) (( segid " " and resid 81 and name HN )) 2.900 1.000 1.000 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 2.149 ppm2 8.302 CV 1 ASSI { 1972} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HN )) 2.200 0.600 0.600 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.92869E-02 ppm1 4.412 ppm2 8.302 CV 1 ASSI { 1975} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 79 and name HN )) 4.000 2.000 2.000 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 2.705 ppm2 7.719 CV 1 ASSI { 1976} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 79 and name HN )) 3.400 1.400 1.400 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.18249E-02 ppm1 2.593 ppm2 7.720 CV 1 ASSI { 1979} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HA )) 3.900 1.900 1.900 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.84681E-03 ppm1 2.599 ppm2 4.422 CV 1 ASSI { 1980} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 80 and name HA )) 3.900 1.900 1.900 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.81094E-03 ppm1 2.710 ppm2 4.407 CV 1 ASSI { 1981} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 77 and name HA )) 3.800 1.800 1.800 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.85767E-03 ppm1 2.719 ppm2 3.896 CV 1 ASSI { 1986} (( segid " " and resid 80 and name HB1 )) ( segid " " and resid 76 and name HG2%) 3.600 1.700 1.700 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.68258E-03 ppm1 2.337 ppm2 0.529 CV 1 ASSI { 1988} (( segid " " and resid 80 and name HA )) ( segid " " and resid 56 and name HG2%) 2.400 0.700 0.700 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.35464E-02 ppm1 4.410 ppm2 0.954 CV 1 OR { 1988} (( segid " " and resid 80 and name HA )) ( segid " " and resid 56 and name HG1%) ASSI { 1989} (( segid " " and resid 80 and name HA )) ( segid " " and resid 81 and name HB% ) 4.400 2.400 1.600 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.53915E-03 ppm1 4.418 ppm2 1.427 CV 1 ASSI { 1990} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 80 and name HB2 )) 2.600 0.800 0.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.23298E-02 ppm1 2.709 ppm2 2.144 CV 1 ASSI { 1991} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HB2 )) 3.100 1.200 1.200 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.22342E-02 ppm1 2.597 ppm2 2.144 CV 1 ASSI { 1992} (( segid " " and resid 80 and name HG1 )) (( segid " " and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.28081E-02 ppm1 2.709 ppm2 2.341 CV 1 ASSI { 1993} (( segid " " and resid 80 and name HG2 )) (( segid " " and resid 80 and name HB1 )) 2.400 0.700 0.700 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.26695E-02 ppm1 2.593 ppm2 2.339 CV 1 ASSI { 1996} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB1 )) 2.200 0.600 0.600 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.55701E-02 ppm1 4.412 ppm2 2.333 CV 1 ASSI { 1997} (( segid " " and resid 80 and name HA )) (( segid " " and resid 80 and name HB2 )) 2.300 0.700 0.700 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.48640E-02 ppm1 4.411 ppm2 2.144 CV 1 ASSI { 1998} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HN )) 2.800 1.000 1.000 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.30432E-02 ppm1 4.178 ppm2 8.301 CV 1 ASSI { 1999} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HN )) 2.500 0.800 0.800 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.63348E-02 ppm1 1.435 ppm2 8.302 CV 1 ASSI { 2000} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.500 0.800 0.800 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.61304E-02 ppm1 1.434 ppm2 4.177 CV 1 ASSI { 2009} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 80 and name HG2 )) 3.800 1.800 1.800 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 1.519 ppm2 2.590 CV 1 ASSI { 2011} (( segid " " and resid 1 and name HA )) (( segid " " and resid 2 and name HA )) 4.000 2.000 2.000 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.82130E-03 ppm1 4.032 ppm2 4.807 CV 1 ASSI { 2012} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 2 and name HA )) 4.200 2.300 1.800 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.63576E-03 ppm1 1.519 ppm2 4.834 CV 1 ASSI { 2018} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HE1 )) 4.100 2.100 1.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.76584E-03 ppm1 1.539 ppm2 3.036 CV 1 OR { 2018} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HE2 )) ASSI { 2020} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 44 and name HN )) 2.800 1.000 1.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.39634E-02 ppm1 2.232 ppm2 7.251 CV 1 OR { 2020} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 44 and name HN )) ASSI { 2021} (( segid " " and resid 15 and name HB )) (( segid " " and resid 13 and name HN )) 3.800 1.800 1.800 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 2.237 ppm2 7.950 CV 1 ASSI { 2022} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.800 1.000 1.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.15220E-02 ppm1 1.370 ppm2 7.505 CV 1 ASSI { 2028} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 1.900 0.500 0.500 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.48914E-02 ppm1 4.330 ppm2 8.124 CV 1 ASSI { 2030} (( segid " " and resid 40 and name HA )) (( segid " " and resid 38 and name HN )) 3.900 1.900 1.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.76683E-03 ppm1 4.110 ppm2 8.050 CV 1 ASSI { 2032} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 27 and name HA )) 4.000 2.000 2.000 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.30537E-03 ppm1 0.654 ppm2 4.626 CV 1 ASSI { 2033} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 3 and name HA )) 4.600 2.600 1.400 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.35663E-03 ppm1 1.570 ppm2 4.431 CV 1 ASSI { 2034} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 6 and name HA )) 5.800 4.200 0.200 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.32739E-03 ppm1 1.568 ppm2 4.133 CV 1 ASSI { 2035} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 54 and name HB2 )) 6.000 4.800 0.000 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.12206E-03 ppm1 1.566 ppm2 2.771 CV 1 ASSI { 2043} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 80 and name HA )) 4.400 2.400 1.600 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.14216E-02 ppm1 0.930 ppm2 4.409 CV 1 ASSI { 2045} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H42B)) 3.900 1.900 1.900 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.43536E-03 ppm1 0.779 ppm2 3.308 CV 1 ASSI { 2046} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H43A)) 6.000 5.700 0.000 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.10945E-03 ppm1 0.774 ppm2 2.846 CV 1 ASSI { 2047} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 40 and name H42A)) 4.700 2.700 1.300 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.56840E-03 ppm1 0.781 ppm2 3.103 CV 1 ASSI { 2049} ( segid " " and resid 1 and name HB% ) (( segid " " and resid 3 and name HA )) 4.600 2.700 1.400 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.25205E-03 ppm1 1.521 ppm2 4.429 CV 1 ASSI { 2052} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HE22)) 4.200 2.200 1.800 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.37873E-03 ppm1 4.025 ppm2 7.686 CV 1 OR { 2052} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HE21)) ASSI { 2053} (( segid " " and resid 1 and name HA )) (( segid " " and resid 80 and name HE21)) 4.400 2.400 1.600 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.42081E-03 ppm1 4.030 ppm2 7.660 CV 1 ASSI { 2055} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 80 and name HG2 )) 4.600 2.600 1.400 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.56540E-03 ppm1 1.560 ppm2 2.611 CV 1 ASSI { 2056} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 54 and name HB1 )) 4.100 2.100 1.900 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.21600E-03 ppm1 1.575 ppm2 3.410 CV 1 ASSI { 2057} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HA )) 5.600 4.000 0.400 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.29554E-03 ppm1 1.360 ppm2 4.158 CV 1 ASSI { 2059} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HG1 )) 4.000 2.000 2.000 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.67515E-03 ppm1 1.363 ppm2 2.441 CV 1 OR { 2059} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 6 and name HB1 )) ASSI { 2061} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 2 and name HN )) 4.100 2.100 1.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.53615E-03 ppm1 1.365 ppm2 8.852 CV 1 ASSI { 2063} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 16 and name HN )) 4.600 2.600 1.400 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.41310E-03 ppm1 1.540 ppm2 8.663 CV 1 ASSI { 2065} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 21 and name HA )) 5.100 3.300 0.900 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.37246E-03 ppm1 1.533 ppm2 4.328 CV 1 ASSI { 2066} (( segid " " and resid 3 and name HA )) (( segid " " and resid 5 and name HN )) 4.900 3.000 1.100 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.41288E-03 ppm1 4.434 ppm2 8.864 CV 1 ASSI { 2068} (( segid " " and resid 3 and name HA )) (( segid " " and resid 6 and name HN )) 4.000 2.000 2.000 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.65518E-03 ppm1 4.441 ppm2 7.692 CV 1 ASSI { 2070} (( segid " " and resid 3 and name HA )) (( segid " " and resid 2 and name HA )) 4.200 2.200 1.800 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.48661E-03 ppm1 4.441 ppm2 4.837 CV 1 ASSI { 2073} (( segid " " and resid 4 and name HA )) (( segid " " and resid 7 and name HG12)) 4.800 2.900 1.200 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.45677E-03 ppm1 3.700 ppm2 0.261 CV 1 ASSI { 2074} (( segid " " and resid 4 and name HA )) (( segid " " and resid 6 and name HN )) 3.800 1.800 1.800 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.40776E-03 ppm1 3.706 ppm2 7.697 CV 1 ASSI { 2075} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HN )) 4.100 2.100 1.900 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.38719E-03 ppm1 3.711 ppm2 8.509 CV 1 ASSI { 2076} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HB )) 5.300 3.500 0.700 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.31127E-03 ppm1 3.713 ppm2 4.717 CV 1 ASSI { 2077} (( segid " " and resid 6 and name HA )) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.44991E-03 ppm1 4.123 ppm2 8.870 CV 1 ASSI { 2080} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HE21)) 3.400 1.400 1.400 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.24911E-03 ppm1 2.159 ppm2 6.821 CV 1 ASSI { 2081} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 5 and name HN )) 4.700 2.800 1.300 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.49807E-03 ppm1 2.234 ppm2 8.864 CV 1 ASSI { 2082} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 5 and name HA )) 4.300 2.300 1.700 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.30103E-03 ppm1 2.177 ppm2 3.928 CV 1 ASSI { 2084} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 73 and name HG2%) 5.000 3.100 1.000 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.49770E-03 ppm1 2.174 ppm2 1.119 CV 1 ASSI { 2085} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 7 and name HG11)) 4.700 2.800 1.300 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.65630E-03 ppm1 2.371 ppm2 1.558 CV 1 ASSI { 2086} (( segid " " and resid 6 and name HG1 )) ( segid " " and resid 3 and name HG2%) 4.100 2.100 1.900 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.32517E-03 ppm1 2.430 ppm2 1.375 CV 1 ASSI { 2089} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 3 and name HN )) 4.500 2.500 1.500 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.50069E-03 ppm1 2.372 ppm2 8.537 CV 1 ASSI { 2090} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 7 and name HN )) 4.800 2.800 1.200 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.51249E-03 ppm1 2.371 ppm2 8.391 CV 1 ASSI { 2093} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 2 and name HA )) 5.100 3.200 0.900 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.23279E-03 ppm1 2.123 ppm2 4.816 CV 1 ASSI { 2094} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 2 and name HA )) 4.800 2.900 1.200 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.43508E-03 ppm1 2.502 ppm2 4.808 CV 1 ASSI { 2097} (( segid " " and resid 6 and name HB2 )) ( segid " " and resid 3 and name HG2%) 5.100 3.200 0.900 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.27468E-03 ppm1 2.118 ppm2 1.366 CV 1 ASSI { 2101} (( segid " " and resid 7 and name HA )) (( segid " " and resid 53 and name HG1 )) 4.200 2.300 1.800 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.64600E-03 ppm1 3.891 ppm2 0.851 CV 1 ASSI { 2104} (( segid " " and resid 7 and name HA )) (( segid " " and resid 6 and name HB2 )) 4.300 2.300 1.700 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.26230E-03 ppm1 3.883 ppm2 2.113 CV 1 ASSI { 2105} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HA )) 4.100 2.100 1.900 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.39637E-03 ppm1 3.894 ppm2 3.381 CV 1 ASSI { 2106} (( segid " " and resid 7 and name HB )) (( segid " " and resid 6 and name HN )) 4.900 3.000 1.100 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.35092E-03 ppm1 1.790 ppm2 7.666 CV 1 ASSI { 2108} (( segid " " and resid 7 and name HG12)) (( segid " " and resid 54 and name HZ )) 4.000 2.000 2.000 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.31231E-03 ppm1 0.261 ppm2 7.471 CV 1 OR { 2108} (( segid " " and resid 7 and name HG12)) ( segid " " and resid 54 and name HD% ) ASSI { 2109} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 11 and name HN )) 4.100 2.100 1.900 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.37939E-03 ppm1 0.560 ppm2 9.240 CV 1 ASSI { 2111} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HG1 )) 5.100 3.300 0.900 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.33775E-03 ppm1 0.528 ppm2 2.700 CV 1 ASSI { 2112} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 80 and name HG2 )) 4.800 2.800 1.200 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.28553E-03 ppm1 0.530 ppm2 2.600 CV 1 ASSI { 2113} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 6 and name HB1 )) 5.300 3.500 0.700 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.26708E-03 ppm1 0.538 ppm2 2.457 CV 1 ASSI { 2114} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HB1 )) 4.600 2.700 1.400 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.53331E-03 ppm1 0.528 ppm2 2.198 CV 1 OR { 2114} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HG2 )) OR { 2114} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 4 and name HG1 )) ASSI { 2117} ( segid " " and resid 7 and name HD1%) (( segid " " and resid 3 and name HB )) 3.400 3.400 2.600 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.18887E-03 ppm1 0.527 ppm2 4.712 CV 1 ASSI { 2118} ( segid " " and resid 7 and name HD1%) ( segid " " and resid 54 and name HE% ) 5.200 3.400 0.800 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.31571E-03 ppm1 0.524 ppm2 7.136 CV 1 ASSI { 2126} (( segid " " and resid 8 and name HB )) (( segid " " and resid 9 and name HA )) 5.000 3.100 1.000 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.32901E-03 ppm1 2.031 ppm2 4.211 CV 1 ASSI { 2127} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 70 and name HA2 )) 4.800 2.900 1.200 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.27140E-03 ppm1 1.051 ppm2 3.805 CV 1 ASSI { 2131} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 27 and name HA )) 5.100 3.200 0.900 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.23658E-03 ppm1 1.046 ppm2 4.624 CV 1 ASSI { 2138} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HN )) 4.800 2.800 1.200 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.13643E-03 ppm1 4.217 ppm2 9.234 CV 1 ASSI { 2140} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 11 and name HN )) 5.300 3.500 0.700 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.21198E-03 ppm1 1.519 ppm2 9.246 CV 1 ASSI { 2151} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 53 and name HD1 )) 4.300 2.300 1.700 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.34065E-03 ppm1 4.072 ppm2 2.887 CV 1 ASSI { 2153} (( segid " " and resid 10 and name HA1 )) (( segid " " and resid 12 and name HN )) 4.600 2.700 1.400 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.40096E-03 ppm1 4.073 ppm2 8.917 CV 1 ASSI { 2156} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 13 and name HB2 )) 3.500 1.500 1.500 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.45662E-03 ppm1 3.876 ppm2 2.225 CV 1 ASSI { 2157} (( segid " " and resid 10 and name HA2 )) (( segid " " and resid 53 and name HD1 )) 4.600 2.700 1.400 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.23774E-03 ppm1 3.887 ppm2 2.878 CV 1 ASSI { 2163} (( segid " " and resid 11 and name HA )) (( segid " " and resid 13 and name HN )) 4.300 2.300 1.700 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.24059E-03 ppm1 4.257 ppm2 7.937 CV 1 ASSI { 2164} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HN )) 2.400 0.700 0.700 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.17959E-02 ppm1 1.288 ppm2 9.241 CV 1 ASSI { 2166} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 26 and name HG1%) 4.500 2.500 1.500 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.48674E-03 ppm1 1.284 ppm2 0.738 CV 1 ASSI { 2170} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 58 and name HG2%) 2.600 0.800 0.800 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.22505E-02 ppm1 0.843 ppm2 0.330 CV 1 ASSI { 2171} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HB2 )) 2.500 0.800 0.800 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.30672E-02 ppm1 0.860 ppm2 1.285 CV 1 ASSI { 2172} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.41463E-02 ppm1 0.859 ppm2 2.107 CV 1 ASSI { 2173} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 12 and name HN )) 5.400 3.600 0.600 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.26012E-03 ppm1 0.858 ppm2 8.903 CV 1 ASSI { 2175} ( segid " " and resid 11 and name HD1%) (( segid " " and resid 10 and name HN )) 5.200 3.400 0.800 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.40137E-03 ppm1 0.858 ppm2 8.396 CV 1 ASSI { 2177} ( segid " " and resid 11 and name HD1%) ( segid " " and resid 32 and name HE% ) 3.600 1.600 1.600 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.48324E-03 ppm1 0.856 ppm2 6.992 CV 1 ASSI { 2178} (( segid " " and resid 11 and name HG )) (( segid " " and resid 12 and name HN )) 5.200 3.300 0.800 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.32236E-03 ppm1 1.987 ppm2 8.904 CV 1 ASSI { 2179} (( segid " " and resid 11 and name HG )) (( segid " " and resid 10 and name HN )) 5.600 3.900 0.400 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.24032E-03 ppm1 1.985 ppm2 8.398 CV 1 ASSI { 2180} (( segid " " and resid 11 and name HG )) ( segid " " and resid 54 and name HE% ) 3.900 1.900 1.900 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.47928E-03 ppm1 1.996 ppm2 7.126 CV 1 ASSI { 2181} (( segid " " and resid 11 and name HG )) (( segid " " and resid 54 and name HZ )) 4.900 3.000 1.100 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.80485E-04 ppm1 1.983 ppm2 7.490 CV 1 OR { 2181} (( segid " " and resid 11 and name HG )) ( segid " " and resid 54 and name HD% ) ASSI { 2182} (( segid " " and resid 11 and name HG )) (( segid " " and resid 8 and name HA )) 4.200 2.200 1.800 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.55663E-03 ppm1 1.995 ppm2 3.392 CV 1 ASSI { 2188} ( segid " " and resid 11 and name HD2%) (( segid " " and resid 32 and name HZ )) 3.800 1.800 1.800 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.89528E-03 ppm1 0.893 ppm2 6.869 CV 1 ASSI { 2189} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HB2 )) 5.500 3.800 0.500 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.16599E-03 ppm1 4.057 ppm2 1.295 CV 1 ASSI { 2195} (( segid " " and resid 12 and name HA )) (( segid " " and resid 26 and name HA )) 6.000 4.600 0.000 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.20786E-03 ppm1 4.054 ppm2 3.531 CV 1 ASSI { 2196} (( segid " " and resid 12 and name HA )) (( segid " " and resid 16 and name HN )) 4.300 2.300 1.700 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.32208E-03 ppm1 4.065 ppm2 8.686 CV 1 ASSI { 2197} (( segid " " and resid 12 and name HA )) (( segid " " and resid 26 and name HN )) 5.300 3.500 0.700 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.24119E-03 ppm1 4.053 ppm2 7.469 CV 1 ASSI { 2198} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HN )) 4.100 2.100 1.900 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.41807E-03 ppm1 4.054 ppm2 8.179 CV 1 ASSI { 2199} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HN )) 4.800 2.900 1.200 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.33119E-03 ppm1 4.053 ppm2 9.229 CV 1 ASSI { 2200} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HG1 )) 4.800 2.900 1.200 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.21552E-03 ppm1 1.682 ppm2 2.600 CV 1 ASSI { 2203} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HB2 )) 4.600 2.700 1.400 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.43068E-03 ppm1 1.690 ppm2 2.228 CV 1 ASSI { 2206} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 15 and name HG2%) 5.000 3.100 1.000 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.51671E-03 ppm1 1.687 ppm2 1.170 CV 1 ASSI { 2207} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HB2 )) 5.000 3.100 1.000 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.42908E-03 ppm1 1.684 ppm2 1.254 CV 1 ASSI { 2210} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 10 and name HN )) 3.100 3.100 2.900 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.33925E-03 ppm1 1.682 ppm2 8.398 CV 1 ASSI { 2212} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 14 and name HN )) 4.500 2.500 1.500 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.43205E-03 ppm1 1.680 ppm2 8.194 CV 1 ASSI { 2213} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.53828E-03 ppm1 1.685 ppm2 7.734 CV 1 ASSI { 2215} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HN )) 5.000 3.100 1.000 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.36375E-03 ppm1 3.944 ppm2 8.916 CV 1 ASSI { 2218} (( segid " " and resid 14 and name HA )) (( segid " " and resid 16 and name HN )) 5.000 3.200 1.000 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.13174E-03 ppm1 3.823 ppm2 8.691 CV 1 ASSI { 2219} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HN )) 5.700 4.100 0.300 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.12549E-03 ppm1 3.817 ppm2 7.957 CV 1 ASSI { 2220} (( segid " " and resid 14 and name HA )) (( segid " " and resid 11 and name HA )) 4.700 2.800 1.300 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.41407E-03 ppm1 3.817 ppm2 4.248 CV 1 ASSI { 2221} (( segid " " and resid 14 and name HA )) ( segid " " and resid 15 and name HG2%) 5.300 3.500 0.700 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.21120E-03 ppm1 3.822 ppm2 1.178 CV 1 ASSI { 2225} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HG1 )) 4.400 2.400 1.600 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.31612E-03 ppm1 3.826 ppm2 2.438 CV 1 ASSI { 2226} (( segid " " and resid 14 and name HB )) (( segid " " and resid 16 and name HN )) 5.100 3.200 0.900 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.25943E-03 ppm1 2.104 ppm2 8.683 CV 1 ASSI { 2227} (( segid " " and resid 14 and name HB )) (( segid " " and resid 13 and name HN )) 5.600 4.000 0.400 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.16756E-03 ppm1 2.109 ppm2 7.945 CV 1 ASSI { 2229} (( segid " " and resid 14 and name HB )) ( segid " " and resid 11 and name HD2%) 3.600 1.700 1.700 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.66429E-03 ppm1 2.108 ppm2 0.886 CV 1 ASSI { 2231} (( segid " " and resid 14 and name HB )) (( segid " " and resid 17 and name HG1 )) 4.400 2.400 1.600 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.90815E-03 ppm1 2.115 ppm2 2.455 CV 1 ASSI { 2232} (( segid " " and resid 14 and name HG12)) (( segid " " and resid 11 and name HA )) 4.700 2.800 1.300 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.24724E-03 ppm1 1.061 ppm2 4.254 CV 1 ASSI { 2233} (( segid " " and resid 14 and name HG11)) (( segid " " and resid 11 and name HA )) 5.000 3.200 1.000 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.38005E-03 ppm1 1.987 ppm2 4.255 CV 1 ASSI { 2235} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 16 and name HN )) 4.900 3.000 1.100 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.19975E-03 ppm1 1.066 ppm2 8.683 CV 1 ASSI { 2236} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 46 and name HN )) 5.200 3.400 0.800 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.32701E-03 ppm1 1.066 ppm2 8.107 CV 1 ASSI { 2240} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 46 and name HA )) 5.600 3.900 0.400 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.38513E-03 ppm1 0.743 ppm2 3.445 CV 1 ASSI { 2244} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HB2 )) 4.900 3.000 1.100 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.30401E-03 ppm1 0.736 ppm2 1.248 CV 1 ASSI { 2245} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 15 and name HG2%) 4.800 2.800 1.200 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.58304E-03 ppm1 0.735 ppm2 1.164 CV 1 ASSI { 2249} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HN )) 4.300 2.300 1.700 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.33716E-03 ppm1 0.735 ppm2 9.234 CV 1 ASSI { 2250} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 12 and name HN )) 5.900 4.300 0.100 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.10439E-03 ppm1 0.744 ppm2 8.923 CV 1 ASSI { 2259} (( segid " " and resid 15 and name HA )) ( segid " " and resid 46 and name HG1%) 3.800 1.800 1.800 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.54371E-03 ppm1 3.602 ppm2 0.665 CV 1 ASSI { 2263} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HN )) 4.700 2.800 1.300 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.28905E-03 ppm1 1.179 ppm2 8.910 CV 1 ASSI { 2266} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HA )) 5.500 3.700 0.500 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.22434E-03 ppm1 1.174 ppm2 4.663 CV 1 ASSI { 2273} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 69 and name HG1%) 4.000 2.000 2.000 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.95241E-03 ppm1 1.176 ppm2 0.446 CV 1 ASSI { 2275} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 21 and name HA )) 4.700 2.800 1.300 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.45393E-03 ppm1 0.998 ppm2 4.309 CV 1 ASSI { 2277} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 47 and name HA )) 5.500 3.700 0.500 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.20065E-03 ppm1 0.994 ppm2 3.318 CV 1 ASSI { 2279} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 3.900 1.900 1.900 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.40252E-03 ppm1 1.004 ppm2 4.683 CV 1 ASSI { 2282} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 13 and name HN )) 4.900 3.000 1.100 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.45546E-03 ppm1 0.993 ppm2 7.943 CV 1 ASSI { 2283} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HA )) 5.200 3.400 0.800 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.23481E-03 ppm1 1.000 ppm2 4.832 CV 1 ASSI { 2288} (( segid " " and resid 18 and name HA )) ( segid " " and resid 14 and name HG2%) 6.000 6.000 0.000 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.31924E-04 ppm1 3.929 ppm2 1.066 CV 1 ASSI { 2299} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HB )) 2.100 0.500 0.500 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.77158E-02 ppm1 0.952 ppm2 1.625 CV 1 ASSI { 2300} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HA )) 3.800 1.800 1.800 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.50188E-03 ppm1 0.957 ppm2 4.806 CV 1 ASSI { 2302} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 19 and name HN )) 5.300 3.500 0.700 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.39881E-03 ppm1 0.779 ppm2 8.474 CV 1 ASSI { 2306} ( segid " " and resid 18 and name HD1%) (( segid " " and resid 45 and name HN )) 5.400 3.700 0.600 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.35342E-03 ppm1 0.778 ppm2 6.990 CV 1 ASSI { 2309} ( segid " " and resid 19 and name HB% ) (( segid " " and resid 39 and name HB1 )) 4.600 2.600 1.400 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.34830E-03 ppm1 1.543 ppm2 3.089 CV 1 ASSI { 2312} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HB1 )) 4.400 2.500 1.600 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.37090E-03 ppm1 3.956 ppm2 3.077 CV 1 ASSI { 2314} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) 4.500 2.500 1.500 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.33672E-03 ppm1 1.895 ppm2 8.299 CV 1 ASSI { 2315} (( segid " " and resid 63 and name HB )) (( segid " " and resid 65 and name HN )) 5.300 3.500 0.700 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.21138E-03 ppm1 1.890 ppm2 7.281 CV 1 ASSI { 2329} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name H28A)) 5.100 3.300 0.900 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.30613E-03 ppm1 1.741 ppm2 3.748 CV 1 ASSI { 2330} (( segid " " and resid 41 and name HG )) (( segid " " and resid 40 and name H28B)) 4.700 2.800 1.300 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.31618E-03 ppm1 1.725 ppm2 3.308 CV 1 ASSI { 2331} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H43B)) 4.300 2.300 1.700 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.38744E-03 ppm1 1.294 ppm2 2.952 CV 1 ASSI { 2332} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H43A)) 3.700 1.700 1.700 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.32907E-03 ppm1 1.294 ppm2 2.865 CV 1 ASSI { 2333} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name H42B)) 4.700 2.800 1.300 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.41057E-03 ppm1 1.294 ppm2 3.275 CV 1 ASSI { 2335} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 43 and name HG2 )) 4.600 2.700 1.400 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.21562E-03 ppm1 1.293 ppm2 2.250 CV 1 OR { 2335} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 43 and name HG1 )) ASSI { 2336} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 32 and name HA )) 4.300 2.300 1.700 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.51671E-03 ppm1 1.290 ppm2 4.081 CV 1 ASSI { 2337} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HA )) 4.500 2.600 1.500 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.62299E-03 ppm1 1.289 ppm2 4.603 CV 1 ASSI { 2339} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 72 and name HA )) 4.200 2.200 1.800 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.40917E-03 ppm1 2.238 ppm2 4.119 CV 1 ASSI { 2340} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 4.500 2.500 1.500 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.21613E-03 ppm1 2.246 ppm2 2.935 CV 1 ASSI { 2342} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 72 and name HA )) 4.600 2.600 1.400 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.70209E-03 ppm1 0.896 ppm2 4.110 CV 1 ASSI { 2343} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 62 and name HB2 )) 4.800 2.800 1.200 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.25745E-03 ppm1 0.387 ppm2 2.400 CV 1 OR { 2343} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 62 and name HB1 )) ASSI { 2344} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 75 and name HE% ) 4.300 2.300 1.700 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.26987E-03 ppm1 0.382 ppm2 6.559 CV 1 ASSI { 2346} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 65 and name HN )) 3.400 1.400 1.400 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.21583E-03 ppm1 0.376 ppm2 7.266 CV 1 ASSI { 2347} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 76 and name HD1%) 2.500 0.800 0.800 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.29094E-02 ppm1 0.527 ppm2 0.638 CV 1 ASSI { 2349} ( segid " " and resid 76 and name HG2%) (( segid " " and resid 80 and name HG2 )) 4.600 2.700 1.400 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.14671E-03 ppm1 0.528 ppm2 2.606 CV 1 ASSI { 2352} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 54 and name HD% ) 3.400 1.400 1.400 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.57268E-03 ppm1 0.527 ppm2 7.460 CV 1 ASSI { 2355} (( segid " " and resid 32 and name HA )) (( segid " " and resid 37 and name HN )) 3.900 1.900 1.900 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.60745E-03 ppm1 4.088 ppm2 7.304 CV 1 ASSI { 2357} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 44 and name HG2%) 5.000 3.100 1.000 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.36906E-03 ppm1 1.814 ppm2 1.110 CV 1 ASSI { 2359} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 38 and name HN )) 4.400 2.400 1.600 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.46464E-03 ppm1 2.310 ppm2 8.045 CV 1 ASSI { 2364} (( segid " " and resid 36 and name HG )) (( segid " " and resid 37 and name HN )) 5.300 3.500 0.700 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.18890E-03 ppm1 1.486 ppm2 7.283 CV 1 ASSI { 2365} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 32 and name HB1 )) 5.300 3.500 0.700 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.26286E-03 ppm1 0.621 ppm2 3.161 CV 1 ASSI { 2367} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 35 and name HB2 )) 5.400 3.700 0.600 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.15750E-03 ppm1 0.629 ppm2 2.704 CV 1 ASSI { 2368} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 12 and name HB% ) 3.500 3.500 2.500 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.16888E-03 ppm1 0.622 ppm2 1.708 CV 1 ASSI { 2369} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 38 and name HB )) 3.400 3.400 2.600 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.18860E-03 ppm1 0.620 ppm2 1.898 CV 1 ASSI { 2370} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 37 and name HN )) 3.400 1.400 1.400 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.20553E-03 ppm1 0.615 ppm2 7.285 CV 1 ASSI { 2372} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 35 and name HA )) 3.200 3.200 2.800 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.31471E-03 ppm1 0.777 ppm2 5.022 CV 1 ASSI { 2373} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 37 and name HN )) 3.200 1.300 1.300 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.27093E-03 ppm1 0.777 ppm2 7.284 CV 1 ASSI { 2374} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 32 and name HD% ) 4.100 2.100 1.900 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.61435E-04 ppm1 0.775 ppm2 7.187 CV 1 ASSI { 2375} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 35 and name HN )) 3.300 1.400 1.400 peak 2375 spectrum 1 weight 0.10000E+01 volume 0.21823E-03 ppm1 0.779 ppm2 7.697 CV 1 ASSI { 2377} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HA )) 5.600 3.900 0.400 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.22733E-03 ppm1 2.769 ppm2 4.117 CV 1 OR { 2377} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HB1 )) OR { 2377} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HB2 )) ASSI { 2384} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HN )) 4.900 3.000 1.100 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.55145E-03 ppm1 4.426 ppm2 7.500 CV 1 ASSI { 2386} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 36 and name HB2 )) 4.600 2.700 1.400 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.43395E-03 ppm1 3.094 ppm2 1.551 CV 1 ASSI { 2387} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 21 and name HD1%) 3.700 1.700 1.700 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.52729E-03 ppm1 3.098 ppm2 0.839 CV 1 ASSI { 2388} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 21 and name HD1%) 4.000 2.000 2.000 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.39153E-03 ppm1 2.426 ppm2 0.839 CV 1 ASSI { 2390} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG1%) 4.100 2.100 1.900 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.89794E-03 ppm1 3.098 ppm2 0.926 CV 1 OR { 2390} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG2%) ASSI { 2393} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HB1 )) 1.800 0.400 0.400 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.90905E-02 ppm1 3.624 ppm2 3.979 CV 1 ASSI { 2395} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HG2 )) 5.300 3.500 0.700 peak 2395 spectrum 1 weight 0.10000E+01 volume 0.30417E-03 ppm1 3.623 ppm2 2.309 CV 1 OR { 2395} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HB1 )) ASSI { 2397} (( segid " " and resid 42 and name HA )) (( segid " " and resid 41 and name HB1 )) 3.300 1.300 1.300 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.25757E-03 ppm1 4.273 ppm2 1.887 CV 1 ASSI { 2398} (( segid " " and resid 43 and name HA )) (( segid " " and resid 42 and name HB2 )) 3.900 1.900 1.900 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.51886E-03 ppm1 3.939 ppm2 3.615 CV 1 ASSI { 2399} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HA )) 5.400 3.600 0.600 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.19818E-03 ppm1 3.930 ppm2 3.426 CV 1 ASSI { 2400} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HE% ) 3.900 1.900 1.900 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.10319E-02 ppm1 3.936 ppm2 1.426 CV 1 ASSI { 2406} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HN )) 4.300 2.300 1.700 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.69185E-03 ppm1 3.614 ppm2 7.491 CV 1 ASSI { 2407} (( segid " " and resid 23 and name HA )) (( segid " " and resid 25 and name HN )) 3.300 1.400 1.400 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.80354E-03 ppm1 3.612 ppm2 7.747 CV 1 ASSI { 2408} (( segid " " and resid 44 and name HA )) (( segid " " and resid 46 and name HN )) 4.200 2.200 1.800 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.31593E-03 ppm1 3.632 ppm2 8.108 CV 1 ASSI { 2410} (( segid " " and resid 23 and name HA )) (( segid " " and resid 22 and name HA )) 4.000 2.000 2.000 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.78438E-03 ppm1 3.613 ppm2 4.299 CV 1 ASSI { 2411} (( segid " " and resid 44 and name HA )) (( segid " " and resid 40 and name H43B)) 6.000 6.000 0.000 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.74555E-05 ppm1 3.638 ppm2 2.910 CV 1 ASSI { 2420} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 52 and name HA )) 6.000 6.000 0.000 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.75906E-04 ppm1 1.526 ppm2 4.126 CV 1 ASSI { 2421} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 14 and name HA )) 4.400 2.500 1.600 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.73821E-03 ppm1 1.528 ppm2 3.811 CV 1 ASSI { 2429} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 43 and name HN )) 4.400 2.400 1.600 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.45084E-03 ppm1 1.419 ppm2 8.279 CV 1 ASSI { 2430} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H42B)) 3.700 1.700 1.700 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.65789E-03 ppm1 1.422 ppm2 3.292 CV 1 ASSI { 2440} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H2A )) 3.500 1.600 1.600 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.85627E-03 ppm1 1.428 ppm2 6.618 CV 1 ASSI { 2443} ( segid " " and resid 43 and name HE% ) ( segid " " and resid 32 and name HD% ) 3.800 1.800 1.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.79359E-03 ppm1 1.418 ppm2 7.178 CV 1 ASSI { 2445} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 46 and name HN )) 4.900 2.900 1.100 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.20104E-03 ppm1 1.420 ppm2 8.122 CV 1 ASSI { 2448} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 47 and name HN )) 5.100 3.300 0.900 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.25762E-03 ppm1 1.428 ppm2 7.866 CV 1 ASSI { 2451} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 60 and name HB2 )) 4.600 2.600 1.400 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.42393E-03 ppm1 1.415 ppm2 2.595 CV 1 OR { 2451} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 60 and name HB1 )) ASSI { 2452} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H42A)) 4.400 2.400 1.600 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.99286E-03 ppm1 1.428 ppm2 3.104 CV 1 ASSI { 2459} (( segid " " and resid 13 and name HG1 )) (( segid " " and resid 14 and name HN )) 5.300 3.500 0.700 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.26753E-03 ppm1 2.616 ppm2 8.181 CV 1 ASSI { 2460} (( segid " " and resid 13 and name HG2 )) (( segid " " and resid 14 and name HN )) 4.400 2.500 1.600 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 2.307 ppm2 8.196 CV 1 ASSI { 2461} (( segid " " and resid 80 and name HA )) (( segid " " and resid 56 and name HB )) 3.600 1.600 1.600 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 4.413 ppm2 2.012 CV 1 ASSI { 2463} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB1 )) 2.900 1.100 1.100 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.33875E-02 ppm1 4.385 ppm2 2.531 CV 1 ASSI { 2464} (( segid " " and resid 80 and name HA )) (( segid " " and resid 57 and name HN )) 4.800 2.900 1.200 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.89288E-03 ppm1 4.409 ppm2 8.184 CV 1 ASSI { 2467} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 26 and name HN )) 4.700 2.800 1.300 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.26250E-03 ppm1 1.535 ppm2 7.499 CV 1 ASSI { 2468} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 26 and name HN )) 5.400 3.600 0.600 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.13949E-03 ppm1 2.054 ppm2 7.497 CV 1 ASSI { 2469} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 26 and name HA )) 5.400 3.700 0.600 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.37084E-03 ppm1 2.051 ppm2 3.533 CV 1 ASSI { 2470} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 26 and name HA )) 5.100 3.200 0.900 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.32589E-03 ppm1 1.532 ppm2 3.531 CV 1 ASSI { 2471} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HB1 )) 4.400 2.400 1.600 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.14249E-02 ppm1 2.059 ppm2 1.738 CV 1 ASSI { 2474} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 14 and name HA )) 3.300 1.400 1.400 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.28707E-03 ppm1 2.262 ppm2 3.824 CV 1 ASSI { 2478} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 46 and name HN )) 5.100 3.200 0.900 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.48134E-03 ppm1 2.282 ppm2 8.117 CV 1 ASSI { 2483} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 25 and name HA )) 5.900 4.300 0.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.23502E-03 ppm1 1.008 ppm2 4.585 CV 1 ASSI { 2490} (( segid " " and resid 56 and name HB )) (( segid " " and resid 81 and name HN )) 5.400 3.700 0.600 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.21190E-03 ppm1 2.027 ppm2 8.289 CV 1 ASSI { 2491} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HA )) 5.200 3.300 0.800 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.32714E-03 ppm1 2.303 ppm2 3.631 CV 1 ASSI { 2492} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 44 and name HA )) 5.700 4.000 0.300 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.14849E-03 ppm1 2.451 ppm2 3.628 CV 1 ASSI { 2497} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HG2 )) 4.900 3.000 1.100 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.77320E-03 ppm1 4.316 ppm2 1.943 CV 1 ASSI { 2500} (( segid " " and resid 60 and name HA )) (( segid " " and resid 59 and name HB1 )) 4.800 2.900 1.200 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.38791E-03 ppm1 4.200 ppm2 2.366 CV 1 ASSI { 2501} (( segid " " and resid 58 and name HB )) (( segid " " and resid 57 and name HA )) 4.900 3.000 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.48212E-03 ppm1 1.714 ppm2 4.724 CV 1 ASSI { 2503} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HN )) 4.300 2.300 1.700 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.93730E-03 ppm1 1.502 ppm2 7.919 CV 1 ASSI { 2505} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HB2 )) 5.000 3.200 1.000 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.18580E-03 ppm1 3.589 ppm2 2.595 CV 1 ASSI { 2506} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 3.200 1.300 1.300 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.81100E-03 ppm1 3.582 ppm2 8.387 CV 1 ASSI { 2509} ( segid " " and resid 9 and name HB% ) (( segid " " and resid 10 and name HA2 )) 3.800 1.800 1.800 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.84927E-03 ppm1 1.522 ppm2 3.866 CV 1 ASSI { 2511} ( segid " " and resid 72 and name HB% ) (( segid " " and resid 75 and name HN )) 5.200 3.400 0.800 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.25743E-03 ppm1 1.610 ppm2 7.925 CV 1 ASSI { 2514} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 73 and name HN )) 4.700 2.800 1.300 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.27810E-03 ppm1 0.561 ppm2 8.643 CV 1 ASSI { 2515} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 41 and name HG )) 5.200 3.400 0.800 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.24111E-03 ppm1 4.105 ppm2 1.723 CV 1 ASSI { 2516} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HG )) 5.900 4.300 0.100 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.14659E-03 ppm1 4.144 ppm2 1.723 CV 1 ASSI { 2520} (( segid " " and resid 68 and name HA )) ( segid " " and resid 32 and name HD% ) 3.300 1.300 1.300 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.58241E-03 ppm1 5.231 ppm2 7.161 CV 1 ASSI { 2521} (( segid " " and resid 68 and name HA )) (( segid " " and resid 30 and name HN )) 5.200 3.300 0.800 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.17888E-03 ppm1 5.229 ppm2 7.488 CV 1 ASSI { 2522} (( segid " " and resid 68 and name HA )) (( segid " " and resid 32 and name HB2 )) 4.400 2.400 1.600 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.31487E-03 ppm1 5.221 ppm2 3.086 CV 1 ASSI { 2523} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HG1 )) 4.800 2.900 1.200 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.36703E-03 ppm1 5.227 ppm2 1.577 CV 1 ASSI { 2526} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) 3.900 1.900 1.900 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.55613E-03 ppm1 4.331 ppm2 8.565 CV 1 ASSI { 2527} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HA1 )) 4.900 3.000 1.100 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.41469E-03 ppm1 4.338 ppm2 3.989 CV 1 ASSI { 2528} (( segid " " and resid 68 and name HB )) ( segid " " and resid 69 and name HG2%) 4.200 2.200 1.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.57339E-03 ppm1 4.323 ppm2 0.639 CV 1 ASSI { 2533} (( segid " " and resid 69 and name HA )) (( segid " " and resid 68 and name HA )) 4.800 2.800 1.200 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.14335E-03 ppm1 3.394 ppm2 5.247 CV 1 ASSI { 2534} (( segid " " and resid 69 and name HA )) (( segid " " and resid 68 and name HB )) 5.300 3.500 0.700 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.22674E-03 ppm1 3.382 ppm2 4.330 CV 1 ASSI { 2535} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HA )) 6.000 6.000 0.000 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.29677E-04 ppm1 3.386 ppm2 4.114 CV 1 ASSI { 2536} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name HA )) 4.600 2.600 1.400 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.28152E-03 ppm1 3.382 ppm2 3.671 CV 1 ASSI { 2539} (( segid " " and resid 69 and name HB )) (( segid " " and resid 68 and name HA )) 5.300 3.500 0.700 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.34346E-03 ppm1 2.276 ppm2 5.225 CV 1 ASSI { 2542} (( segid " " and resid 69 and name HB )) ( segid " " and resid 72 and name HB% ) 4.300 2.300 1.700 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.61222E-03 ppm1 2.276 ppm2 1.600 CV 1 ASSI { 2543} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 73 and name HA )) 5.100 3.200 0.900 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.22267E-03 ppm1 0.463 ppm2 3.685 CV 1 ASSI { 2545} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HG )) 5.200 3.300 0.800 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.53047E-03 ppm1 0.462 ppm2 1.749 CV 1 OR { 2545} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 28 and name HB1 )) ASSI { 2546} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 11 and name HB2 )) 4.400 2.500 1.600 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.52261E-03 ppm1 0.457 ppm2 1.272 CV 1 ASSI { 2547} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 31 and name HA )) 3.500 1.500 1.500 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.17444E-03 ppm1 0.461 ppm2 4.931 CV 1 ASSI { 2554} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 27 and name HN )) 3.700 1.800 1.800 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.24327E-03 ppm1 0.657 ppm2 6.374 CV 1 ASSI { 2555} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 75 and name HN )) 5.200 3.400 0.800 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.21358E-03 ppm1 1.109 ppm2 7.911 CV 1 ASSI { 2556} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 4 and name HN )) 4.500 2.600 1.500 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.49654E-03 ppm1 1.113 ppm2 9.237 CV 1 ASSI { 2562} ( segid " " and resid 73 and name HG2%) (( segid " " and resid 7 and name HG12)) 4.900 3.000 1.100 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.49211E-03 ppm1 1.110 ppm2 0.264 CV 1 ASSI { 2564} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.300 1.400 1.400 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.36325E-03 ppm1 1.597 ppm2 7.284 CV 1 ASSI { 2566} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 75 and name HN )) 3.400 3.400 2.600 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.21427E-03 ppm1 0.629 ppm2 7.925 CV 1 ASSI { 2571} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 77 and name HA )) 3.200 3.200 2.800 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.28725E-03 ppm1 0.625 ppm2 3.902 CV 1 ASSI { 2575} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HN )) 3.200 1.300 1.300 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.99561E-03 ppm1 3.675 ppm2 8.527 CV 1 ASSI { 2578} (( segid " " and resid 73 and name HB )) (( segid " " and resid 72 and name HN )) 5.400 3.600 0.600 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.22625E-03 ppm1 4.190 ppm2 8.183 CV 1 ASSI { 2581} (( segid " " and resid 73 and name HB )) (( segid " " and resid 74 and name HB2 )) 5.100 3.200 0.900 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.31827E-03 ppm1 4.181 ppm2 1.911 CV 1 ASSI { 2588} ( segid " " and resid 76 and name HG2%) ( segid " " and resid 75 and name HD% ) 6.000 6.000 0.000 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.20198E-04 ppm1 0.524 ppm2 6.817 CV 1 ASSI { 2591} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 75 and name HD% ) 6.000 6.000 0.000 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.15210E-04 ppm1 0.329 ppm2 6.832 CV 1 ASSI { 2595} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 23 and name HN )) 5.600 3.900 0.400 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.11863E-03 ppm1 1.003 ppm2 8.525 CV 1 ASSI { 2597} (( segid " " and resid 76 and name HA )) (( segid " " and resid 79 and name HD2 )) 6.000 4.600 0.000 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.43102E-04 ppm1 3.503 ppm2 6.971 CV 1 ASSI { 2598} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HB1 )) 4.400 2.400 1.600 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.50294E-03 ppm1 3.507 ppm2 3.126 CV 1 OR { 2598} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 2602} (( segid " " and resid 48 and name HA )) ( segid " " and resid 50 and name HB% ) 5.900 4.300 0.100 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.90452E-04 ppm1 3.913 ppm2 1.496 CV 1 ASSI { 2603} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) 4.000 2.000 2.000 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.49045E-03 ppm1 3.918 ppm2 7.689 CV 1 ASSI { 2604} (( segid " " and resid 23 and name HB )) (( segid " " and resid 16 and name HD22)) 5.300 3.500 0.700 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.28724E-03 ppm1 2.069 ppm2 8.068 CV 1 ASSI { 2605} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) 5.100 3.300 0.900 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.28138E-03 ppm1 1.119 ppm2 7.673 CV 1 ASSI { 2606} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 63 and name HN )) 5.400 3.600 0.600 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.22856E-03 ppm1 1.120 ppm2 7.596 CV 1 ASSI { 2615} (( segid " " and resid 46 and name HA )) (( segid " " and resid 48 and name HN )) 3.900 1.900 1.900 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.42990E-03 ppm1 3.428 ppm2 7.805 CV 1 ASSI { 2620} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HA )) 4.200 2.300 1.800 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.36238E-03 ppm1 3.424 ppm2 4.076 CV 1 ASSI { 2623} ( segid " " and resid 46 and name HG1%) (( segid " " and resid 14 and name HB )) 3.100 1.200 1.200 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 0.666 ppm2 2.115 CV 1 ASSI { 2627} (( segid " " and resid 45 and name HA )) (( segid " " and resid 49 and name HN )) 3.600 1.700 1.700 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.71545E-03 ppm1 4.064 ppm2 7.927 CV 1 ASSI { 2628} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HN )) 6.000 6.000 0.000 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.36038E-04 ppm1 3.963 ppm2 7.914 CV 1 ASSI { 2631} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HA )) 6.000 6.000 0.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.11144E-04 ppm1 3.966 ppm2 4.241 CV 1 ASSI { 2634} (( segid " " and resid 51 and name HA )) (( segid " " and resid 47 and name HA )) 4.400 2.400 1.600 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.35514E-03 ppm1 4.177 ppm2 3.317 CV 1 ASSI { 2638} (( segid " " and resid 61 and name HA )) (( segid " " and resid 63 and name HN )) 4.500 2.500 1.500 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.26733E-03 ppm1 4.318 ppm2 7.605 CV 1 ASSI { 2640} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HN )) 4.300 2.300 1.700 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.27741E-03 ppm1 4.324 ppm2 7.054 CV 1 ASSI { 2641} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 69 and name HA )) 3.000 1.100 1.100 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.12028E-02 ppm1 6.986 ppm2 3.390 CV 1 ASSI { 2655} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 11 and name HD1%) 3.400 1.400 1.400 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.52101E-03 ppm1 6.874 ppm2 0.871 CV 1 OR { 2655} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 11 and name HD2%) ASSI { 2661} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 32 and name HD% ) 4.400 2.400 1.600 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.42362E-03 ppm1 6.852 ppm2 7.165 CV 1 ASSI { 2662} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 32 and name HZ )) 2.000 0.500 0.500 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.83504E-02 ppm1 6.985 ppm2 6.871 CV 1 ASSI { 2663} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HB1 )) 5.200 3.400 0.800 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.48955E-03 ppm1 1.496 ppm2 2.472 CV 1 ASSI { 2670} (( segid " " and resid 38 and name HA )) ( segid " " and resid 21 and name HD1%) 4.100 2.100 1.900 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.28076E-03 ppm1 3.968 ppm2 0.824 CV 1 ASSI { 2672} (( segid " " and resid 23 and name HB )) (( segid " " and resid 22 and name HA )) 5.700 4.100 0.300 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.44341E-03 ppm1 2.040 ppm2 4.306 CV 1 ASSI { 2673} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 3.700 1.800 1.800 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.65202E-03 ppm1 1.763 ppm2 2.686 CV 1 ASSI { 2675} (( segid " " and resid 76 and name HA )) (( segid " " and resid 80 and name HB2 )) 5.100 3.300 0.900 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.28163E-03 ppm1 3.498 ppm2 2.129 CV 1 ASSI { 2676} (( segid " " and resid 23 and name HA )) (( segid " " and resid 16 and name HN )) 4.700 2.700 1.300 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.22107E-03 ppm1 3.614 ppm2 8.697 CV 1 ASSI { 2681} (( segid " " and resid 7 and name HB )) (( segid " " and resid 73 and name HN )) 4.500 2.600 1.500 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.25112E-03 ppm1 1.776 ppm2 8.655 CV 1 ASSI { 2682} (( segid " " and resid 76 and name HG12)) (( segid " " and resid 75 and name HB1 )) 4.900 2.900 1.100 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.28851E-03 ppm1 0.921 ppm2 3.120 CV 1 ASSI { 2683} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 7 and name HG12)) 3.500 1.500 1.500 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.61962E-03 ppm1 0.620 ppm2 0.272 CV 1 ASSI { 2687} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HB1 )) 4.600 2.600 1.400 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.26488E-03 ppm1 3.890 ppm2 2.348 CV 1 ASSI { 2688} (( segid " " and resid 77 and name HA )) (( segid " " and resid 80 and name HB2 )) 5.000 3.100 1.000 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.31151E-03 ppm1 3.897 ppm2 2.148 CV 1 ASSI { 2692} (( segid " " and resid 77 and name HG )) ( segid " " and resid 73 and name HG2%) 3.600 1.600 1.600 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.59680E-03 ppm1 1.627 ppm2 1.100 CV 1 ASSI { 2693} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 74 and name HB1 )) 4.800 2.800 1.200 peak 2693 spectrum 1 weight 0.10000E+01 volume 0.33082E-03 ppm1 0.825 ppm2 1.966 CV 1 ASSI { 2695} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 80 and name HE21)) 3.400 1.400 1.400 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.14598E-02 ppm1 0.824 ppm2 7.648 CV 1 OR { 2695} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 80 and name HE21)) ASSI { 2698} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 46 and name HG1%) 5.200 3.400 0.800 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.59718E-03 ppm1 1.525 ppm2 0.637 CV 1 ASSI { 2700} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HN )) 2.300 0.700 0.700 peak 2700 spectrum 1 weight 0.10000E+01 volume 0.56852E-02 ppm1 4.680 ppm2 8.185 CV 1 ASSI { 2706} (( segid " " and resid 56 and name HB )) (( segid " " and resid 54 and name HB1 )) 4.900 3.000 1.100 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.23673E-03 ppm1 2.015 ppm2 3.457 CV 1 ASSI { 2707} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 58 and name HA )) 5.800 4.300 0.200 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.58966E-04 ppm1 0.974 ppm2 4.499 CV 1 ASSI { 2708} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 54 and name HD% ) 4.600 2.600 1.400 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.69504E-03 ppm1 0.976 ppm2 7.471 CV 1 ASSI { 2712} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 54 and name HD% ) 3.200 1.200 1.200 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.69242E-03 ppm1 0.926 ppm2 7.476 CV 1 ASSI { 2713} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 75 and name HE% ) 4.900 3.000 1.100 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.67965E-03 ppm1 0.926 ppm2 6.556 CV 1 ASSI { 2714} ( segid " " and resid 56 and name HG1%) ( segid " " and resid 75 and name HD% ) 5.100 3.200 0.900 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.33572E-03 ppm1 0.929 ppm2 6.815 CV 1 ASSI { 2715} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 76 and name HA )) 3.400 1.500 1.500 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.16410E-02 ppm1 0.925 ppm2 3.511 CV 1 ASSI { 2719} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HN )) 3.700 1.700 1.700 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.12214E-02 ppm1 1.694 ppm2 9.932 CV 1 OR { 2719} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HN )) ASSI { 2720} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HD1 )) 3.600 1.600 1.600 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.66588E-03 ppm1 1.691 ppm2 3.803 CV 1 OR { 2720} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HD1 )) OR { 2720} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HD2 )) OR { 2720} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 59 and name HD2 )) ASSI { 2722} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HA )) 4.800 2.900 1.200 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.14636E-03 ppm1 1.690 ppm2 4.481 CV 1 OR { 2722} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 2724} (( segid " " and resid 57 and name HB2 )) ( segid " " and resid 56 and name HG2%) 5.500 3.800 0.500 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.26144E-03 ppm1 1.699 ppm2 0.959 CV 1 OR { 2724} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 56 and name HG2%) ASSI { 2725} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 56 and name HG2%) 5.100 3.200 0.900 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.32401E-03 ppm1 2.707 ppm2 0.969 CV 1 OR { 2725} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 56 and name HG1%) ASSI { 2726} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 56 and name HG2%) 4.700 2.800 1.300 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.23742E-03 ppm1 2.586 ppm2 0.969 CV 1 OR { 2726} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 56 and name HG1%) ASSI { 2727} (( segid " " and resid 80 and name HG2 )) ( segid " " and resid 77 and name HD2%) 5.000 3.100 1.000 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.22361E-03 ppm1 2.598 ppm2 0.813 CV 1 ASSI { 2729} (( segid " " and resid 80 and name HG1 )) ( segid " " and resid 1 and name HB% ) 4.000 2.000 2.000 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.25841E-03 ppm1 2.721 ppm2 1.526 CV 1 ASSI { 2736} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 58 and name HN )) 4.000 2.000 2.000 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.83863E-03 ppm1 2.828 ppm2 9.929 CV 1 ASSI { 2737} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 58 and name HN )) 2.900 1.000 1.000 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.10121E-02 ppm1 2.298 ppm2 9.930 CV 1 ASSI { 2738} (( segid " " and resid 58 and name HB )) (( segid " " and resid 51 and name HG1 )) 3.900 1.900 1.900 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.48134E-03 ppm1 1.727 ppm2 2.829 CV 1 ASSI { 2743} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 57 and name HA )) 3.700 1.700 1.700 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.64363E-03 ppm1 1.559 ppm2 4.711 CV 1 ASSI { 2746} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 75 and name HD% ) 5.800 4.200 0.200 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.18159E-03 ppm1 1.559 ppm2 6.823 CV 1 ASSI { 2747} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 79 and name HA )) 5.900 4.300 0.100 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.13212E-03 ppm1 0.332 ppm2 4.589 CV 1 ASSI { 2749} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 57 and name HA )) 3.100 3.100 2.900 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.33865E-03 ppm1 0.638 ppm2 4.719 CV 1 ASSI { 2752} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 72 and name HA )) 5.100 3.300 0.900 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.22333E-03 ppm1 0.638 ppm2 4.121 CV 1 ASSI { 2754} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 51 and name HB1 )) 3.000 3.000 3.000 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.42787E-03 ppm1 0.646 ppm2 2.453 CV 1 ASSI { 2762} (( segid " " and resid 59 and name HA )) (( segid " " and resid 63 and name HN )) 4.900 3.000 1.100 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.28366E-03 ppm1 4.407 ppm2 7.596 CV 1 ASSI { 2764} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) 6.000 5.800 0.000 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.11330E-03 ppm1 2.395 ppm2 4.523 CV 1 ASSI { 2765} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HB1 )) 5.900 4.300 0.100 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.15943E-03 ppm1 1.942 ppm2 2.590 CV 1 OR { 2765} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HB2 )) ASSI { 2766} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 61 and name HB1 )) 5.300 3.500 0.700 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.90518E-04 ppm1 1.943 ppm2 2.681 CV 1 ASSI { 2769} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 62 and name HN )) 5.200 3.400 0.800 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.31590E-03 ppm1 2.394 ppm2 7.478 CV 1 ASSI { 2770} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.000 1.100 1.100 peak 2770 spectrum 1 weight 0.10000E+01 volume 0.95459E-03 ppm1 1.938 ppm2 7.476 CV 1 ASSI { 2771} (( segid " " and resid 59 and name HG2 )) ( segid " " and resid 58 and name HG2%) 5.500 3.800 0.500 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.22707E-03 ppm1 1.981 ppm2 0.315 CV 1 OR { 2771} (( segid " " and resid 59 and name HG1 )) ( segid " " and resid 58 and name HG2%) ASSI { 2773} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 59 and name HB2 )) 4.400 2.400 1.600 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.31721E-03 ppm1 2.480 ppm2 1.940 CV 1 OR { 2773} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 59 and name HG2 )) OR { 2773} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 59 and name HG1 )) ASSI { 2775} (( segid " " and resid 60 and name HA )) ( segid " " and resid 58 and name HG2%) 4.400 2.400 1.600 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.34012E-03 ppm1 4.177 ppm2 0.320 CV 1 ASSI { 2781} (( segid " " and resid 63 and name HB )) (( segid " " and resid 62 and name HN )) 4.700 2.800 1.300 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.41894E-03 ppm1 1.904 ppm2 7.482 CV 1 ASSI { 2783} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 66 and name HN )) 4.800 2.900 1.200 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.21633E-03 ppm1 0.828 ppm2 7.781 CV 1 ASSI { 2786} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HB1 )) 5.600 4.000 0.400 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.14576E-03 ppm1 0.832 ppm2 2.406 CV 1 OR { 2786} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HB2 )) ASSI { 2788} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 66 and name HB1 )) 3.800 1.900 1.900 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.83451E-03 ppm1 0.826 ppm2 2.277 CV 1 ASSI { 2795} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 40 and name H43A)) 5.700 4.000 0.300 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.12999E-03 ppm1 0.834 ppm2 2.844 CV 1 ASSI { 2803} (( segid " " and resid 64 and name HA )) (( segid " " and resid 60 and name HB2 )) 3.400 3.400 2.600 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.22701E-03 ppm1 4.057 ppm2 2.542 CV 1 OR { 2803} (( segid " " and resid 64 and name HA )) (( segid " " and resid 60 and name HB1 )) ASSI { 2805} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 62 and name HA )) 5.700 4.100 0.300 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.25026E-03 ppm1 3.041 ppm2 4.684 CV 1 ASSI { 2808} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) 4.000 2.000 2.000 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.57870E-03 ppm1 4.470 ppm2 8.545 CV 1 ASSI { 2809} (( segid " " and resid 67 and name HA )) (( segid " " and resid 31 and name HA )) 5.300 3.500 0.700 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.15947E-03 ppm1 4.480 ppm2 4.901 CV 1 ASSI { 2810} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 31 and name HA )) 6.000 4.500 0.000 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.19237E-03 ppm1 2.063 ppm2 4.920 CV 1 OR { 2810} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 31 and name HA )) ASSI { 2811} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HE1 )) 3.900 1.900 1.900 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.40452E-03 ppm1 2.079 ppm2 3.090 CV 1 OR { 2811} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HE1 )) OR { 2811} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HE2 )) OR { 2811} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HE2 )) ASSI { 2812} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 71 and name HB2 )) 4.500 2.600 1.500 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.20138E-03 ppm1 2.066 ppm2 2.898 CV 1 OR { 2812} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 71 and name HB2 )) ASSI { 2813} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 31 and name HA )) 6.000 5.900 0.000 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.13322E-03 ppm1 1.580 ppm2 4.897 CV 1 ASSI { 2814} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 31 and name HA )) 6.000 4.700 0.000 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.20762E-03 ppm1 1.471 ppm2 4.899 CV 1 ASSI { 2815} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 71 and name HN )) 4.600 2.600 1.400 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.26471E-03 ppm1 1.472 ppm2 8.357 CV 1 ASSI { 2817} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 72 and name HN )) 5.700 4.100 0.300 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.82308E-04 ppm1 3.795 ppm2 8.238 CV 1 ASSI { 2819} (( segid " " and resid 70 and name HA1 )) (( segid " " and resid 72 and name HN )) 5.000 3.200 1.000 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.26844E-03 ppm1 4.013 ppm2 8.230 CV 1 ASSI { 2822} (( segid " " and resid 70 and name HA2 )) (( segid " " and resid 68 and name HB )) 6.000 4.900 0.000 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.19073E-03 ppm1 3.796 ppm2 4.305 CV 1 ASSI { 2825} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HN )) 5.700 4.100 0.300 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.25466E-03 ppm1 2.297 ppm2 7.262 CV 1 ASSI { 2826} (( segid " " and resid 26 and name HB )) (( segid " " and resid 27 and name HN )) 4.400 2.500 1.600 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.25934E-03 ppm1 2.338 ppm2 6.368 CV 1 ASSI { 2828} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 38 and name HN )) 4.500 2.600 1.500 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.54595E-03 ppm1 2.773 ppm2 8.059 CV 1 ASSI { 2829} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 75 and name HE% ) 4.300 2.300 1.700 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.40914E-03 ppm1 3.575 ppm2 6.542 CV 1 ASSI { 2830} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 75 and name HE% ) 3.900 1.900 1.900 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.41444E-03 ppm1 2.502 ppm2 6.552 CV 1 ASSI { 2831} (( segid " " and resid 79 and name HB2 )) ( segid " " and resid 75 and name HD% ) 4.000 2.000 2.000 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.28686E-03 ppm1 2.519 ppm2 6.826 CV 1 ASSI { 2833} (( segid " " and resid 79 and name HD2 )) (( segid " " and resid 79 and name HA )) 3.900 1.900 1.900 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.54954E-03 ppm1 7.001 ppm2 4.617 CV 1 ASSI { 2834} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 46 and name HN )) 4.500 2.600 1.500 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.32199E-03 ppm1 1.003 ppm2 8.118 CV 1 ASSI { 1} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 3.200 1.300 1.300 peak 1 spectrum 1 weight 0.10000E+01 volume 0.11106E-02 ppm1 8.839 ppm2 4.815 CV 1 ASSI { 3} (( segid " " and resid 2 and name HN )) ( segid " " and resid 2 and name HB% ) 2.600 0.800 0.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.35354E-02 ppm1 8.843 ppm2 1.559 CV 1 ASSI { 5} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 2.600 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.29851E-02 ppm1 8.843 ppm2 4.037 CV 1 ASSI { 6} (( segid " " and resid 2 and name HN )) (( segid " " and resid 80 and name HE22)) 3.500 1.500 1.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.48986E-03 ppm1 8.838 ppm2 7.726 CV 1 ASSI { 7} (( segid " " and resid 2 and name HN )) (( segid " " and resid 80 and name HE21)) 4.000 2.000 2.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.95943E-03 ppm1 8.842 ppm2 7.640 CV 1 ASSI { 11} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.500 1.500 1.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.28182E-02 ppm1 8.538 ppm2 2.492 CV 1 ASSI { 12} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HG2 )) 3.600 1.600 1.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.78925E-03 ppm1 8.537 ppm2 2.390 CV 1 OR { 12} (( segid " " and resid 3 and name HN )) (( segid " " and resid 6 and name HG1 )) ASSI { 15} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.300 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.62081E-02 ppm1 8.539 ppm2 4.826 CV 1 ASSI { 16} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 3.800 1.800 1.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.44413E-03 ppm1 8.536 ppm2 4.732 CV 1 ASSI { 17} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 4.500 2.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.24017E-03 ppm1 8.543 ppm2 9.246 CV 1 ASSI { 21} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.400 0.700 0.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.33603E-02 ppm1 9.236 ppm2 2.178 CV 1 OR { 21} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HG2 )) ASSI { 22} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25684E-02 ppm1 9.235 ppm2 2.034 CV 1 ASSI { 24} (( segid " " and resid 4 and name HN )) ( segid " " and resid 7 and name HD1%) 4.600 2.700 1.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.30521E-03 ppm1 9.236 ppm2 0.527 CV 1 OR { 24} (( segid " " and resid 4 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 27} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB )) 2.100 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.30179E-02 ppm1 9.235 ppm2 4.722 CV 1 ASSI { 32} (( segid " " and resid 4 and name HN )) (( segid " " and resid 6 and name HN )) 4.300 2.300 1.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.26781E-03 ppm1 9.233 ppm2 7.695 CV 1 ASSI { 34} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.13675E-02 ppm1 9.232 ppm2 8.868 CV 1 ASSI { 44} (( segid " " and resid 5 and name HN )) (( segid " " and resid 3 and name HB )) 3.300 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.16420E-02 ppm1 8.866 ppm2 4.725 CV 1 ASSI { 45} (( segid " " and resid 5 and name HN )) ( segid " " and resid 7 and name HD1%) 4.900 3.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.36934E-03 ppm1 8.866 ppm2 0.537 CV 1 OR { 45} (( segid " " and resid 5 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 48} (( segid " " and resid 5 and name HN )) ( segid " " and resid 8 and name HG2%) 4.900 3.000 1.100 peak 48 spectrum 1 weight 0.10000E+01 volume 0.24340E-03 ppm1 8.860 ppm2 1.059 CV 1 ASSI { 49} (( segid " " and resid 5 and name HN )) ( segid " " and resid 3 and name HG2%) 4.800 2.900 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.65942E-03 ppm1 8.866 ppm2 1.366 CV 1 ASSI { 51} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG2 )) 3.500 1.600 1.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14058E-02 ppm1 8.866 ppm2 2.317 CV 1 ASSI { 52} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG2 )) 3.200 1.300 1.300 peak 52 spectrum 1 weight 0.10000E+01 volume 0.17551E-02 ppm1 8.865 ppm2 2.171 CV 1 ASSI { 53} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 2.700 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.44944E-02 ppm1 8.868 ppm2 2.091 CV 1 ASSI { 54} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.500 0.800 0.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.31306E-02 ppm1 8.866 ppm2 1.996 CV 1 ASSI { 56} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 8.865 ppm2 7.691 CV 1 ASSI { 58} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 2.300 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.42802E-02 ppm1 7.691 ppm2 8.392 CV 1 ASSI { 59} (( segid " " and resid 6 and name HN )) (( segid " " and resid 3 and name HN )) 3.800 1.800 1.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.71358E-03 ppm1 7.692 ppm2 8.549 CV 1 ASSI { 61} (( segid " " and resid 6 and name HN )) ( segid " " and resid 54 and name HE% ) 4.700 2.800 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.54492E-03 ppm1 7.697 ppm2 7.106 CV 1 ASSI { 62} (( segid " " and resid 6 and name HN )) (( segid " " and resid 3 and name HB )) 4.500 2.600 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.31186E-03 ppm1 7.693 ppm2 4.712 CV 1 ASSI { 68} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.200 1.300 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39028E-02 ppm1 7.691 ppm2 2.488 CV 1 ASSI { 70} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HB1 )) 5.200 3.400 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.21547E-03 ppm1 7.696 ppm2 2.223 CV 1 OR { 70} (( segid " " and resid 6 and name HN )) (( segid " " and resid 4 and name HG1 )) ASSI { 72} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.22157E-02 ppm1 7.695 ppm2 1.981 CV 1 ASSI { 75} (( segid " " and resid 6 and name HN )) ( segid " " and resid 3 and name HG2%) 4.700 2.800 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.48892E-03 ppm1 7.689 ppm2 1.366 CV 1 ASSI { 76} (( segid " " and resid 6 and name HN )) ( segid " " and resid 8 and name HG2%) 5.400 3.600 0.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17096E-03 ppm1 7.688 ppm2 1.051 CV 1 ASSI { 78} (( segid " " and resid 6 and name HN )) ( segid " " and resid 7 and name HD1%) 5.900 4.300 0.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.20570E-03 ppm1 7.698 ppm2 0.532 CV 1 OR { 78} (( segid " " and resid 6 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 79} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HG12)) 5.900 4.300 0.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.38413E-03 ppm1 7.699 ppm2 0.287 CV 1 ASSI { 82} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HD1%) 3.600 1.600 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.22317E-02 ppm1 8.393 ppm2 0.538 CV 1 OR { 82} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 83} (( segid " " and resid 7 and name HN )) ( segid " " and resid 73 and name HG2%) 4.800 2.800 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.36603E-03 ppm1 8.393 ppm2 1.121 CV 1 ASSI { 85} (( segid " " and resid 7 and name HN )) ( segid " " and resid 8 and name HG2%) 4.600 2.700 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.49348E-03 ppm1 8.390 ppm2 1.033 CV 1 ASSI { 93} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB1 )) 3.500 1.600 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.12911E-02 ppm1 8.392 ppm2 2.493 CV 1 ASSI { 103} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 2.400 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.69385E-02 ppm1 7.729 ppm2 8.391 CV 1 ASSI { 104} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.48596E-03 ppm1 7.732 ppm2 9.239 CV 1 ASSI { 106} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HN )) 4.400 2.400 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.24341E-03 ppm1 7.731 ppm2 8.899 CV 1 ASSI { 112} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 3.100 1.200 1.200 peak 112 spectrum 1 weight 0.10000E+01 volume 0.14471E-02 ppm1 8.389 ppm2 3.891 CV 1 ASSI { 116} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) 3.900 1.900 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.57776E-03 ppm1 7.729 ppm2 3.883 CV 1 ASSI { 119} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HA )) 3.300 1.400 1.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.11203E-02 ppm1 7.729 ppm2 4.131 CV 1 ASSI { 122} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB )) 2.300 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.29093E-02 ppm1 8.387 ppm2 1.787 CV 1 ASSI { 123} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HG2 )) 4.300 2.300 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.55298E-03 ppm1 8.388 ppm2 2.198 CV 1 OR { 123} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HG1 )) OR { 123} (( segid " " and resid 8 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 133} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HG2%) 3.200 1.300 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 8.388 ppm2 0.551 CV 1 ASSI { 135} (( segid " " and resid 8 and name HN )) ( segid " " and resid 69 and name HG2%) 5.300 3.600 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.37870E-03 ppm1 8.389 ppm2 0.642 CV 1 ASSI { 136} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HG2%) 5.100 3.300 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.24952E-03 ppm1 7.729 ppm2 0.560 CV 1 ASSI { 137} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.30148E-02 ppm1 8.394 ppm2 7.728 CV 1 ASSI { 138} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.500 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.30344E-02 ppm1 8.395 ppm2 9.240 CV 1 ASSI { 139} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HN )) 4.200 2.200 1.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.58135E-03 ppm1 8.391 ppm2 8.903 CV 1 ASSI { 141} (( segid " " and resid 10 and name HN )) ( segid " " and resid 54 and name HE% ) 4.300 2.400 1.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.37674E-03 ppm1 8.395 ppm2 7.134 CV 1 ASSI { 142} (( segid " " and resid 10 and name HN )) (( segid " " and resid 54 and name HZ )) 4.300 2.300 1.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.50150E-03 ppm1 8.399 ppm2 7.469 CV 1 OR { 142} (( segid " " and resid 10 and name HN )) ( segid " " and resid 54 and name HD% ) ASSI { 144} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.400 1.500 1.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 8.394 ppm2 4.228 CV 1 ASSI { 146} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HA )) 4.500 2.600 1.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.24492E-03 ppm1 8.390 ppm2 3.395 CV 1 ASSI { 147} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 5.000 3.200 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.35838E-03 ppm1 8.392 ppm2 2.093 CV 1 ASSI { 149} (( segid " " and resid 10 and name HN )) ( segid " " and resid 9 and name HB% ) 2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.36263E-02 ppm1 8.394 ppm2 1.519 CV 1 ASSI { 151} (( segid " " and resid 10 and name HN )) ( segid " " and resid 8 and name HG1%) 5.100 3.300 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.28722E-03 ppm1 8.391 ppm2 0.881 CV 1 ASSI { 152} (( segid " " and resid 10 and name HN )) ( segid " " and resid 7 and name HG2%) 4.900 3.000 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.22615E-03 ppm1 8.393 ppm2 0.553 CV 1 OR { 152} (( segid " " and resid 10 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 158} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HN )) 4.000 2.000 2.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.40945E-03 ppm1 9.238 ppm2 7.948 CV 1 ASSI { 169} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HG2%) 4.300 2.300 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.34549E-03 ppm1 9.241 ppm2 0.558 CV 1 OR { 169} (( segid " " and resid 11 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 183} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.500 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.34112E-02 ppm1 9.241 ppm2 8.908 CV 1 ASSI { 188} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA2 )) 3.300 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.17569E-02 ppm1 9.239 ppm2 3.875 CV 1 ASSI { 192} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD1%) 4.100 2.100 1.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.16729E-02 ppm1 9.240 ppm2 0.878 CV 1 OR { 192} (( segid " " and resid 11 and name HN )) ( segid " " and resid 11 and name HD2%) ASSI { 194} (( segid " " and resid 11 and name HN )) ( segid " " and resid 8 and name HG2%) 5.100 3.200 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.30935E-03 ppm1 9.239 ppm2 1.044 CV 1 ASSI { 197} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG )) 3.200 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.30734E-02 ppm1 9.238 ppm2 1.991 CV 1 ASSI { 203} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.14626E-02 ppm1 8.908 ppm2 4.232 CV 1 ASSI { 208} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.200 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.12580E-02 ppm1 8.909 ppm2 1.285 CV 1 ASSI { 209} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HD2%) 4.100 2.100 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.88555E-03 ppm1 8.909 ppm2 0.906 CV 1 ASSI { 212} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.28218E-02 ppm1 7.947 ppm2 8.908 CV 1 ASSI { 218} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.900 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.18632E-02 ppm1 7.946 ppm2 4.053 CV 1 ASSI { 220} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA2 )) 3.400 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.65802E-03 ppm1 7.941 ppm2 3.852 CV 1 ASSI { 221} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG1 )) 3.000 1.100 1.100 peak 221 spectrum 1 weight 0.10000E+01 volume 0.23386E-02 ppm1 7.947 ppm2 2.615 CV 1 ASSI { 222} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG2 )) 2.700 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.49529E-02 ppm1 7.947 ppm2 2.299 CV 1 OR { 222} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 223} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) 2.600 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.23838E-02 ppm1 7.947 ppm2 2.225 CV 1 ASSI { 225} (( segid " " and resid 13 and name HN )) ( segid " " and resid 9 and name HB% ) 3.000 3.000 3.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.46973E-03 ppm1 7.943 ppm2 1.515 CV 1 ASSI { 229} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HN )) 3.700 1.700 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.77264E-03 ppm1 8.195 ppm2 8.901 CV 1 ASSI { 232} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 3.600 1.600 1.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.76618E-03 ppm1 8.195 ppm2 3.943 CV 1 ASSI { 233} (( segid " " and resid 14 and name HN )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.13928E-02 ppm1 8.194 ppm2 4.253 CV 1 ASSI { 235} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.27717E-02 ppm1 8.194 ppm2 7.943 CV 1 ASSI { 237} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB1 )) 3.600 1.700 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.16240E-02 ppm1 8.196 ppm2 2.312 CV 1 OR { 237} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HG2 )) ASSI { 238} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17408E-02 ppm1 8.195 ppm2 2.218 CV 1 ASSI { 240} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG11)) 3.000 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.39637E-02 ppm1 8.196 ppm2 1.989 CV 1 ASSI { 244} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HG2%) 3.300 1.400 1.400 peak 244 spectrum 1 weight 0.10000E+01 volume 0.33541E-02 ppm1 8.196 ppm2 1.060 CV 1 OR { 244} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 246} (( segid " " and resid 14 and name HN )) ( segid " " and resid 11 and name HD2%) 4.200 2.200 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.52616E-03 ppm1 8.193 ppm2 0.889 CV 1 ASSI { 250} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HN )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 8.796 ppm2 8.195 CV 1 ASSI { 252} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HN )) 4.200 2.200 1.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.37692E-03 ppm1 8.793 ppm2 7.950 CV 1 ASSI { 255} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) 4.300 2.300 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.33413E-03 ppm1 8.795 ppm2 3.942 CV 1 ASSI { 259} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.28604E-02 ppm1 8.797 ppm2 2.096 CV 1 ASSI { 260} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG11)) 4.900 3.000 1.100 peak 260 spectrum 1 weight 0.10000E+01 volume 0.42231E-03 ppm1 8.798 ppm2 1.989 CV 1 ASSI { 261} (( segid " " and resid 15 and name HN )) ( segid " " and resid 12 and name HB% ) 4.900 3.000 1.100 peak 261 spectrum 1 weight 0.10000E+01 volume 0.37028E-03 ppm1 8.793 ppm2 1.679 CV 1 ASSI { 263} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HG2%) 3.300 1.300 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.17948E-02 ppm1 8.795 ppm2 1.071 CV 1 OR { 263} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 266} (( segid " " and resid 15 and name HN )) ( segid " " and resid 11 and name HD2%) 4.600 2.700 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.27393E-03 ppm1 8.793 ppm2 0.843 CV 1 OR { 266} (( segid " " and resid 15 and name HN )) ( segid " " and resid 11 and name HD1%) ASSI { 268} (( segid " " and resid 15 and name HN )) ( segid " " and resid 46 and name HG1%) 4.300 2.300 1.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.32267E-03 ppm1 8.793 ppm2 0.674 CV 1 ASSI { 269} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 2.400 0.700 0.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.33441E-02 ppm1 8.686 ppm2 8.788 CV 1 ASSI { 272} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.11129E-02 ppm1 8.685 ppm2 4.679 CV 1 ASSI { 273} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 273 spectrum 1 weight 0.10000E+01 volume 0.23710E-02 ppm1 8.689 ppm2 8.401 CV 1 ASSI { 274} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HN )) 3.800 1.800 1.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.69326E-03 ppm1 8.686 ppm2 8.191 CV 1 ASSI { 275} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HD22)) 5.800 4.200 0.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.44572E-03 ppm1 8.691 ppm2 8.062 CV 1 ASSI { 276} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HN )) 4.400 2.400 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.30848E-03 ppm1 8.690 ppm2 7.955 CV 1 ASSI { 278} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HD21)) 6.000 4.600 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.11351E-03 ppm1 8.680 ppm2 6.862 CV 1 ASSI { 281} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 8.686 ppm2 3.943 CV 1 ASSI { 284} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.700 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 8.688 ppm2 2.249 CV 1 ASSI { 285} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HB2 )) 5.600 3.900 0.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.37783E-03 ppm1 8.684 ppm2 2.123 CV 1 ASSI { 287} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG1%) 3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.18573E-02 ppm1 8.687 ppm2 0.996 CV 1 ASSI { 288} (( segid " " and resid 16 and name HN )) ( segid " " and resid 11 and name HD2%) 4.500 2.600 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.65774E-03 ppm1 8.690 ppm2 0.922 CV 1 ASSI { 290} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 4.600 2.600 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.23973E-03 ppm1 8.402 ppm2 8.789 CV 1 ASSI { 293} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.300 0.700 0.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.39612E-02 ppm1 8.401 ppm2 8.221 CV 1 ASSI { 294} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.700 1.700 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.43505E-03 ppm1 8.402 ppm2 4.682 CV 1 ASSI { 296} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 4.200 2.200 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.28043E-03 ppm1 8.400 ppm2 3.605 CV 1 ASSI { 297} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11656E-02 ppm1 8.403 ppm2 3.104 CV 1 ASSI { 298} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 2.000 0.500 0.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.56281E-02 ppm1 8.401 ppm2 2.260 CV 1 OR { 298} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) ASSI { 299} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.100 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.34758E-02 ppm1 8.402 ppm2 2.137 CV 1 ASSI { 302} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HB )) 4.400 2.400 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.62602E-03 ppm1 8.400 ppm2 1.633 CV 1 OR { 302} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 303} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG1%) 4.300 2.400 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.43102E-03 ppm1 8.401 ppm2 0.976 CV 1 ASSI { 306} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.500 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.33697E-02 ppm1 8.219 ppm2 8.471 CV 1 ASSI { 307} (( segid " " and resid 18 and name HN )) ( segid " " and resid 18 and name HG2%) 3.800 1.800 1.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.18152E-02 ppm1 8.216 ppm2 0.950 CV 1 ASSI { 310} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB )) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.76412E-02 ppm1 8.218 ppm2 1.635 CV 1 OR { 310} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HG11)) ASSI { 313} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.900 1.000 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 8.220 ppm2 3.929 CV 1 ASSI { 314} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HA )) 5.000 3.100 1.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.30405E-03 ppm1 8.211 ppm2 3.839 CV 1 ASSI { 315} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.200 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.10270E-02 ppm1 8.214 ppm2 3.601 CV 1 ASSI { 316} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.200 1.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.18600E-02 ppm1 8.216 ppm2 2.135 CV 1 ASSI { 318} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HG1 )) 4.100 2.100 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.29228E-03 ppm1 8.215 ppm2 2.433 CV 1 ASSI { 319} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.17645E-02 ppm1 8.464 ppm2 4.825 CV 1 ASSI { 321} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.400 1.400 1.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.13522E-02 ppm1 8.464 ppm2 3.932 CV 1 ASSI { 324} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG2%) 3.300 1.300 1.300 peak 324 spectrum 1 weight 0.10000E+01 volume 0.16856E-02 ppm1 8.464 ppm2 0.958 CV 1 ASSI { 325} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG12)) 4.700 2.800 1.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.49529E-03 ppm1 8.465 ppm2 1.301 CV 1 ASSI { 326} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HG11)) 3.600 1.600 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.30774E-02 ppm1 8.465 ppm2 1.630 CV 1 ASSI { 328} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HG2 )) 3.400 3.400 2.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.18982E-03 ppm1 8.468 ppm2 2.246 CV 1 ASSI { 329} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HN )) 4.500 2.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.48902E-03 ppm1 8.462 ppm2 6.472 CV 1 ASSI { 331} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.200 0.600 0.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.45509E-02 ppm1 8.465 ppm2 7.832 CV 1 ASSI { 333} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HN )) 3.800 1.800 1.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.55351E-03 ppm1 7.836 ppm2 8.209 CV 1 ASSI { 336} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) 2.400 0.700 0.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.25607E-02 ppm1 7.834 ppm2 6.465 CV 1 ASSI { 337} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) 3.500 1.500 1.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10588E-02 ppm1 7.833 ppm2 4.826 CV 1 ASSI { 338} (( segid " " and resid 20 and name HN )) (( segid " " and resid 16 and name HA )) 3.300 1.300 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.85286E-03 ppm1 7.832 ppm2 4.673 CV 1 ASSI { 340} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA2 )) 2.300 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.51505E-02 ppm1 7.833 ppm2 3.945 CV 1 ASSI { 342} (( segid " " and resid 20 and name HN )) (( segid " " and resid 15 and name HA )) 4.400 2.400 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.28709E-03 ppm1 7.829 ppm2 3.597 CV 1 ASSI { 343} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HG12)) 3.000 3.000 3.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.45478E-03 ppm1 7.842 ppm2 1.301 CV 1 ASSI { 344} (( segid " " and resid 20 and name HN )) ( segid " " and resid 18 and name HG2%) 4.900 3.000 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.47513E-03 ppm1 7.833 ppm2 0.949 CV 1 ASSI { 345} (( segid " " and resid 20 and name HN )) ( segid " " and resid 21 and name HD1%) 6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.20419E-03 ppm1 7.833 ppm2 0.845 CV 1 ASSI { 346} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HB )) 4.600 2.600 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.63370E-03 ppm1 7.835 ppm2 1.627 CV 1 ASSI { 348} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HD22)) 4.600 2.600 1.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.41626E-03 ppm1 6.465 ppm2 8.060 CV 1 ASSI { 353} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HA )) 2.700 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.23249E-02 ppm1 6.466 ppm2 4.677 CV 1 ASSI { 355} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA1 )) 3.400 1.400 1.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.13049E-02 ppm1 6.469 ppm2 4.059 CV 1 ASSI { 357} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HB1 )) 5.000 3.100 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.41513E-03 ppm1 6.465 ppm2 3.104 CV 1 ASSI { 358} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HB2 )) 5.100 3.300 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.19533E-03 ppm1 6.468 ppm2 2.737 CV 1 ASSI { 360} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB )) 2.200 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.46679E-02 ppm1 6.466 ppm2 1.601 CV 1 ASSI { 362} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HG2%) 3.600 1.600 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.23726E-02 ppm1 6.466 ppm2 1.008 CV 1 ASSI { 367} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 2.600 0.800 0.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.24784E-02 ppm1 9.248 ppm2 8.515 CV 1 ASSI { 371} (( segid " " and resid 23 and name HN )) (( segid " " and resid 16 and name HD21)) 3.200 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.72632E-03 ppm1 8.516 ppm2 6.857 CV 1 ASSI { 372} (( segid " " and resid 23 and name HN )) (( segid " " and resid 16 and name HD22)) 4.100 2.100 1.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.43536E-03 ppm1 8.516 ppm2 8.061 CV 1 ASSI { 382} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.26841E-02 ppm1 7.734 ppm2 9.247 CV 1 ASSI { 389} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 2.200 0.600 0.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.45584E-02 ppm1 7.736 ppm2 7.488 CV 1 ASSI { 391} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HA )) 4.800 2.900 1.200 peak 391 spectrum 1 weight 0.10000E+01 volume 0.27932E-03 ppm1 7.734 ppm2 4.295 CV 1 ASSI { 392} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.100 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12078E-02 ppm1 7.735 ppm2 4.042 CV 1 ASSI { 393} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HD2 )) 5.100 3.200 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.28661E-03 ppm1 7.732 ppm2 3.705 CV 1 ASSI { 395} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.400 0.700 0.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.36122E-02 ppm1 7.734 ppm2 2.686 CV 1 ASSI { 398} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HG2 )) 3.300 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.12859E-02 ppm1 7.733 ppm2 2.287 CV 1 ASSI { 400} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) 3.600 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.11934E-02 ppm1 7.733 ppm2 2.006 CV 1 OR { 400} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB2 )) ASSI { 403} (( segid " " and resid 25 and name HN )) ( segid " " and resid 23 and name HG2%) 2.500 2.500 3.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 7.734 ppm2 1.009 CV 1 ASSI { 404} (( segid " " and resid 25 and name HN )) ( segid " " and resid 26 and name HG2%) 3.500 1.600 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.10917E-02 ppm1 7.734 ppm2 0.918 CV 1 ASSI { 408} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 3.400 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.11026E-02 ppm1 7.490 ppm2 4.599 CV 1 ASSI { 409} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) 3.500 1.500 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.12146E-02 ppm1 7.489 ppm2 4.041 CV 1 ASSI { 412} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.700 1.800 1.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.72357E-03 ppm1 7.489 ppm2 2.688 CV 1 ASSI { 413} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 4.500 2.500 1.500 peak 413 spectrum 1 weight 0.10000E+01 volume 0.69335E-03 ppm1 7.489 ppm2 2.591 CV 1 ASSI { 414} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB )) 2.200 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.56103E-02 ppm1 7.489 ppm2 2.339 CV 1 ASSI { 415} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB2 )) 3.100 3.100 2.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.36772E-03 ppm1 7.490 ppm2 2.018 CV 1 OR { 415} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HB1 )) ASSI { 417} (( segid " " and resid 26 and name HN )) ( segid " " and resid 12 and name HB% ) 3.500 1.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.88333E-03 ppm1 7.488 ppm2 1.687 CV 1 ASSI { 421} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HG2%) 2.300 0.700 0.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.59593E-02 ppm1 7.489 ppm2 0.922 CV 1 ASSI { 423} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HN )) 5.200 3.300 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.38251E-03 ppm1 7.490 ppm2 9.251 CV 1 ASSI { 426} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.400 1.400 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.17707E-02 ppm1 6.368 ppm2 2.050 CV 1 ASSI { 427} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD2 )) 3.300 1.400 1.400 peak 427 spectrum 1 weight 0.10000E+01 volume 0.20467E-02 ppm1 6.368 ppm2 1.796 CV 1 OR { 427} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD1 )) ASSI { 428} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 2.500 0.800 0.800 peak 428 spectrum 1 weight 0.10000E+01 volume 0.21332E-02 ppm1 6.369 ppm2 1.537 CV 1 ASSI { 429} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG2 )) 2.400 0.700 0.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.34037E-02 ppm1 6.369 ppm2 1.341 CV 1 OR { 429} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HG1 )) ASSI { 431} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.12285E-02 ppm1 6.367 ppm2 4.626 CV 1 ASSI { 432} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 3.200 1.300 1.300 peak 432 spectrum 1 weight 0.10000E+01 volume 0.78928E-03 ppm1 6.370 ppm2 7.498 CV 1 ASSI { 434} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HG2%) 4.300 2.400 1.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.70334E-03 ppm1 6.370 ppm2 0.923 CV 1 ASSI { 438} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HE1 )) 4.600 2.600 1.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.37817E-03 ppm1 6.369 ppm2 3.036 CV 1 OR { 438} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HE2 )) ASSI { 441} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 4.700 2.800 1.300 peak 441 spectrum 1 weight 0.10000E+01 volume 0.25352E-03 ppm1 8.460 ppm2 6.367 CV 1 ASSI { 445} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.500 0.800 0.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.33803E-02 ppm1 8.457 ppm2 4.631 CV 1 ASSI { 446} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD2%) 3.500 1.500 1.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.13060E-02 ppm1 8.456 ppm2 0.906 CV 1 ASSI { 447} (( segid " " and resid 28 and name HN )) ( segid " " and resid 28 and name HD1%) 4.100 2.100 1.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.10098E-02 ppm1 8.457 ppm2 0.810 CV 1 ASSI { 449} (( segid " " and resid 28 and name HN )) ( segid " " and resid 8 and name HG2%) 4.900 3.100 1.100 peak 449 spectrum 1 weight 0.10000E+01 volume 0.16790E-03 ppm1 8.453 ppm2 1.012 CV 1 ASSI { 450} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB1 )) 2.500 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.62265E-02 ppm1 8.457 ppm2 1.753 CV 1 OR { 450} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HG )) ASSI { 453} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.15557E-02 ppm1 8.457 ppm2 1.467 CV 1 ASSI { 454} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG1 )) 4.500 2.500 1.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.84778E-03 ppm1 8.457 ppm2 1.330 CV 1 OR { 454} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) ASSI { 455} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.21615E-02 ppm1 8.457 ppm2 2.055 CV 1 ASSI { 456} (( segid " " and resid 28 and name HN )) ( segid " " and resid 69 and name HG2%) 4.400 2.400 1.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.44575E-03 ppm1 8.456 ppm2 0.651 CV 1 ASSI { 457} (( segid " " and resid 28 and name HN )) (( segid " " and resid 69 and name HB )) 5.400 3.600 0.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.18443E-03 ppm1 8.457 ppm2 2.290 CV 1 ASSI { 460} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.000 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.19375E-02 ppm1 8.398 ppm2 2.589 CV 1 ASSI { 461} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.300 1.400 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.14735E-02 ppm1 8.390 ppm2 2.770 CV 1 ASSI { 462} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.83123E-03 ppm1 8.393 ppm2 1.535 CV 1 ASSI { 463} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.11854E-02 ppm1 8.395 ppm2 1.468 CV 1 ASSI { 464} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HG2 )) 4.500 2.500 1.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.86897E-03 ppm1 8.391 ppm2 1.345 CV 1 OR { 464} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HG1 )) ASSI { 465} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.500 1.500 1.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.13645E-02 ppm1 8.395 ppm2 2.056 CV 1 ASSI { 466} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) 3.400 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.20717E-02 ppm1 8.395 ppm2 1.734 CV 1 OR { 466} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG )) ASSI { 467} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD2%) 4.800 2.900 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.41732E-03 ppm1 8.393 ppm2 0.910 CV 1 ASSI { 468} (( segid " " and resid 29 and name HN )) ( segid " " and resid 28 and name HD1%) 5.600 3.900 0.400 peak 468 spectrum 1 weight 0.10000E+01 volume 0.22001E-03 ppm1 8.399 ppm2 0.805 CV 1 ASSI { 469} (( segid " " and resid 29 and name HN )) ( segid " " and resid 69 and name HG2%) 4.900 2.900 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.18991E-03 ppm1 8.392 ppm2 0.660 CV 1 ASSI { 471} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.29356E-02 ppm1 8.395 ppm2 7.506 CV 1 ASSI { 475} (( segid " " and resid 30 and name HN )) ( segid " " and resid 69 and name HG2%) 3.500 1.500 1.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.52666E-03 ppm1 7.502 ppm2 0.639 CV 1 ASSI { 476} (( segid " " and resid 30 and name HN )) ( segid " " and resid 69 and name HG1%) 3.900 1.900 1.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.88567E-03 ppm1 7.504 ppm2 0.452 CV 1 ASSI { 479} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HD2 )) 3.800 1.800 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10898E-02 ppm1 7.505 ppm2 1.464 CV 1 ASSI { 480} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG2 )) 2.400 0.700 0.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.44160E-02 ppm1 7.504 ppm2 1.351 CV 1 ASSI { 481} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG1 )) 3.700 1.700 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 7.504 ppm2 1.795 CV 1 ASSI { 482} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.000 1.200 1.200 peak 482 spectrum 1 weight 0.10000E+01 volume 0.40783E-02 ppm1 7.504 ppm2 2.049 CV 1 ASSI { 484} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 4.600 2.700 1.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.48187E-03 ppm1 7.504 ppm2 2.770 CV 1 ASSI { 485} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 4.500 2.500 1.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.50388E-03 ppm1 7.505 ppm2 2.590 CV 1 ASSI { 487} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HE1 )) 4.600 2.700 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.51087E-03 ppm1 7.507 ppm2 3.029 CV 1 ASSI { 488} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HE2 )) 5.400 3.600 0.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.28529E-03 ppm1 7.506 ppm2 2.961 CV 1 ASSI { 493} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.60430E-03 ppm1 7.503 ppm2 6.373 CV 1 ASSI { 497} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 4.900 3.000 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.23406E-03 ppm1 10.188 ppm2 8.168 CV 1 ASSI { 498} (( segid " " and resid 31 and name HN )) (( segid " " and resid 35 and name HN )) 4.000 2.000 2.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.40149E-03 ppm1 10.184 ppm2 7.670 CV 1 ASSI { 499} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.58710E-03 ppm1 10.183 ppm2 7.503 CV 1 ASSI { 504} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 3.100 1.200 1.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.58585E-03 ppm1 10.185 ppm2 4.915 CV 1 ASSI { 505} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HE1 )) 3.600 1.600 1.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.21692E-02 ppm1 10.185 ppm2 3.041 CV 1 ASSI { 508} (( segid " " and resid 31 and name HN )) (( segid " " and resid 34 and name HB2 )) 6.000 4.800 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17182E-03 ppm1 10.173 ppm2 2.439 CV 1 ASSI { 510} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.800 1.800 1.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.49420E-03 ppm1 10.184 ppm2 2.052 CV 1 ASSI { 511} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG1 )) 5.900 4.400 0.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.21480E-03 ppm1 10.187 ppm2 1.795 CV 1 ASSI { 512} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HD1 )) 4.800 2.900 1.200 peak 512 spectrum 1 weight 0.10000E+01 volume 0.82006E-03 ppm1 10.184 ppm2 1.558 CV 1 ASSI { 513} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HD2 )) 4.500 2.500 1.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.63785E-03 ppm1 10.187 ppm2 1.469 CV 1 ASSI { 514} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.900 1.900 1.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 10.185 ppm2 1.365 CV 1 OR { 514} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG2 )) ASSI { 515} (( segid " " and resid 31 and name HN )) ( segid " " and resid 68 and name HG2%) 4.300 2.300 1.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.47469E-03 ppm1 10.185 ppm2 1.057 CV 1 ASSI { 516} (( segid " " and resid 31 and name HN )) ( segid " " and resid 36 and name HD2%) 5.600 3.900 0.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.21170E-03 ppm1 10.193 ppm2 0.791 CV 1 ASSI { 520} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HD% ) 2.800 1.000 1.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.20994E-02 ppm1 8.179 ppm2 7.174 CV 1 ASSI { 524} (( segid " " and resid 32 and name HN )) (( segid " " and resid 68 and name HA )) 2.700 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.16872E-02 ppm1 8.179 ppm2 5.228 CV 1 ASSI { 527} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.500 0.800 0.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.17807E-02 ppm1 8.179 ppm2 3.091 CV 1 ASSI { 528} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.600 0.800 0.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.19334E-02 ppm1 8.179 ppm2 4.077 CV 1 ASSI { 529} (( segid " " and resid 32 and name HN )) (( segid " " and resid 68 and name HB )) 4.900 3.000 1.100 peak 529 spectrum 1 weight 0.10000E+01 volume 0.34412E-03 ppm1 8.175 ppm2 4.329 CV 1 ASSI { 530} (( segid " " and resid 32 and name HN )) ( segid " " and resid 68 and name HG2%) 4.700 2.700 1.300 peak 530 spectrum 1 weight 0.10000E+01 volume 0.49570E-03 ppm1 8.179 ppm2 1.050 CV 1 ASSI { 532} (( segid " " and resid 32 and name HN )) ( segid " " and resid 69 and name HG1%) 4.500 2.500 1.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.22225E-03 ppm1 8.179 ppm2 0.461 CV 1 ASSI { 535} (( segid " " and resid 32 and name HN )) ( segid " " and resid 33 and name HG2%) 5.400 3.600 0.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.22919E-03 ppm1 8.182 ppm2 1.301 CV 1 ASSI { 542} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.900 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18655E-02 ppm1 8.596 ppm2 4.485 CV 1 ASSI { 543} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 3.200 1.200 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.12455E-02 ppm1 8.597 ppm2 8.181 CV 1 ASSI { 545} (( segid " " and resid 33 and name HN )) ( segid " " and resid 32 and name HD% ) 4.900 3.000 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.45952E-03 ppm1 8.598 ppm2 7.172 CV 1 ASSI { 547} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.400 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.13354E-02 ppm1 8.597 ppm2 3.155 CV 1 ASSI { 548} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.500 0.800 0.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.22457E-02 ppm1 8.595 ppm2 3.093 CV 1 ASSI { 549} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.500 1.500 1.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.92088E-03 ppm1 7.972 ppm2 2.771 CV 1 ASSI { 550} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.500 1.500 1.500 peak 550 spectrum 1 weight 0.10000E+01 volume 0.11641E-02 ppm1 7.968 ppm2 2.438 CV 1 ASSI { 552} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 3.300 1.300 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.95946E-03 ppm1 7.971 ppm2 4.596 CV 1 ASSI { 553} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB )) 4.000 2.000 2.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.10313E-02 ppm1 7.970 ppm2 4.173 CV 1 ASSI { 554} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HG2%) 4.700 2.800 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.52963E-03 ppm1 7.971 ppm2 1.284 CV 1 ASSI { 555} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 3.200 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.10591E-02 ppm1 7.970 ppm2 8.591 CV 1 ASSI { 556} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.13005E-02 ppm1 7.971 ppm2 7.673 CV 1 ASSI { 559} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.18056E-02 ppm1 7.666 ppm2 3.036 CV 1 ASSI { 560} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 4.200 2.200 1.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.41866E-03 ppm1 7.673 ppm2 4.595 CV 1 ASSI { 561} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 7.667 ppm2 2.729 CV 1 ASSI { 562} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 3.800 1.800 1.800 peak 562 spectrum 1 weight 0.10000E+01 volume 0.59275E-03 ppm1 7.502 ppm2 5.022 CV 1 ASSI { 563} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HG )) 4.000 2.000 2.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.60058E-03 ppm1 7.661 ppm2 1.467 CV 1 ASSI { 564} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HG )) 2.400 0.700 0.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.25300E-02 ppm1 7.507 ppm2 1.468 CV 1 ASSI { 565} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 7.670 ppm2 2.439 CV 1 ASSI { 569} (( segid " " and resid 35 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.16224E-02 ppm1 7.667 ppm2 3.853 CV 1 ASSI { 570} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.200 0.600 0.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.38001E-02 ppm1 7.669 ppm2 7.506 CV 1 ASSI { 573} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) 5.300 3.500 0.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.41382E-03 ppm1 7.506 ppm2 8.045 CV 1 ASSI { 574} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.400 0.700 0.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.25731E-02 ppm1 7.505 ppm2 7.281 CV 1 ASSI { 576} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.400 1.500 1.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.16938E-02 ppm1 7.505 ppm2 3.038 CV 1 ASSI { 578} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.400 1.400 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.21514E-02 ppm1 7.506 ppm2 2.303 CV 1 ASSI { 579} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.14570E-02 ppm1 7.506 ppm2 1.578 CV 1 ASSI { 583} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.22472E-02 ppm1 7.290 ppm2 8.040 CV 1 ASSI { 585} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.100 1.200 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.16919E-02 ppm1 7.285 ppm2 2.415 CV 1 ASSI { 587} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG1%) 3.900 1.900 1.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.63798E-03 ppm1 7.281 ppm2 0.930 CV 1 OR { 587} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 590} (( segid " " and resid 38 and name HN )) (( segid " " and resid 32 and name HA )) 4.200 2.200 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.44619E-03 ppm1 8.054 ppm2 4.069 CV 1 ASSI { 594} (( segid " " and resid 38 and name HN )) (( segid " " and resid 32 and name HB1 )) 4.500 2.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.15332E-03 ppm1 8.049 ppm2 3.169 CV 1 ASSI { 596} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.900 1.900 1.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.45125E-03 ppm1 8.044 ppm2 1.583 CV 1 ASSI { 597} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 5.300 3.500 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.30348E-03 ppm1 8.050 ppm2 2.412 CV 1 ASSI { 599} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 3.200 1.200 1.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.11083E-02 ppm1 8.296 ppm2 4.647 CV 1 ASSI { 602} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) 3.300 1.400 1.400 peak 602 spectrum 1 weight 0.10000E+01 volume 0.31989E-02 ppm1 8.297 ppm2 0.931 CV 1 OR { 602} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 610} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 3.500 1.500 1.500 peak 610 spectrum 1 weight 0.10000E+01 volume 0.64946E-03 ppm1 8.979 ppm2 8.304 CV 1 ASSI { 611} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) 2.900 1.100 1.100 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16523E-02 ppm1 8.979 ppm2 8.054 CV 1 ASSI { 614} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB1 )) 2.700 0.900 0.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.30436E-02 ppm1 8.978 ppm2 3.077 CV 1 ASSI { 616} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.500 1.500 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.14917E-02 ppm1 8.979 ppm2 2.770 CV 1 ASSI { 617} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.400 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.47647E-02 ppm1 8.976 ppm2 4.101 CV 1 OR { 617} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 619} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.600 1.600 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.31287E-02 ppm1 8.977 ppm2 4.152 CV 1 ASSI { 621} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HN )) 3.200 1.300 1.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.11217E-02 ppm1 8.055 ppm2 8.978 CV 1 ASSI { 622} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 2.400 0.700 0.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.37099E-02 ppm1 8.053 ppm2 8.336 CV 1 ASSI { 627} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD2%) 4.300 2.300 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.84550E-03 ppm1 8.054 ppm2 0.977 CV 1 ASSI { 628} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD1%) 4.600 2.600 1.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.78525E-03 ppm1 8.052 ppm2 0.901 CV 1 ASSI { 632} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name H28B)) 3.800 1.800 1.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.24167E-03 ppm1 8.053 ppm2 3.310 CV 1 ASSI { 633} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB1 )) 3.800 1.800 1.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.60149E-03 ppm1 8.055 ppm2 3.081 CV 1 ASSI { 634} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB2 )) 5.100 3.200 0.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.45568E-03 ppm1 8.055 ppm2 2.761 CV 1 ASSI { 635} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.700 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.27795E-02 ppm1 8.054 ppm2 4.274 CV 1 ASSI { 636} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15592E-02 ppm1 8.055 ppm2 4.104 CV 1 OR { 636} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 637} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) 4.300 2.400 1.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.24859E-03 ppm1 8.054 ppm2 4.644 CV 1 ASSI { 639} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.000 1.100 1.100 peak 639 spectrum 1 weight 0.10000E+01 volume 0.18693E-02 ppm1 8.338 ppm2 3.974 CV 1 ASSI { 641} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HB1 )) 4.100 2.100 1.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.11242E-03 ppm1 8.343 ppm2 3.087 CV 1 ASSI { 642} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HB2 )) 6.000 4.800 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13865E-03 ppm1 8.341 ppm2 2.778 CV 1 ASSI { 644} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.700 1.700 1.700 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 8.338 ppm2 1.623 CV 1 ASSI { 645} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.700 1.700 1.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.16269E-02 ppm1 8.339 ppm2 1.883 CV 1 ASSI { 646} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HD2%) 3.300 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.78790E-03 ppm1 8.339 ppm2 0.935 CV 1 OR { 646} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HD1%) ASSI { 647} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG )) 3.700 1.700 1.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.29501E-03 ppm1 8.340 ppm2 1.720 CV 1 ASSI { 648} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HN )) 4.900 3.000 1.100 peak 648 spectrum 1 weight 0.10000E+01 volume 0.22777E-03 ppm1 8.343 ppm2 7.246 CV 1 ASSI { 649} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HN )) 4.300 2.400 1.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.21632E-03 ppm1 8.282 ppm2 8.997 CV 1 ASSI { 651} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 2.800 0.900 0.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.18173E-02 ppm1 8.284 ppm2 7.251 CV 1 ASSI { 652} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 4.500 2.500 1.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.25739E-03 ppm1 8.288 ppm2 6.995 CV 1 ASSI { 653} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HA )) 3.300 1.400 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.92903E-03 ppm1 8.283 ppm2 4.100 CV 1 ASSI { 654} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.23950E-02 ppm1 8.285 ppm2 3.940 CV 1 ASSI { 655} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.400 1.500 1.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.78912E-03 ppm1 8.283 ppm2 4.270 CV 1 ASSI { 656} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.000 2.000 2.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.56765E-03 ppm1 8.283 ppm2 3.618 CV 1 ASSI { 657} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.300 1.300 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15616E-02 ppm1 8.285 ppm2 1.813 CV 1 ASSI { 658} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG2 )) 3.500 1.500 1.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.17435E-02 ppm1 8.283 ppm2 2.223 CV 1 OR { 658} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG1 )) ASSI { 659} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.24379E-02 ppm1 8.284 ppm2 2.061 CV 1 ASSI { 661} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HG2%) 5.000 3.100 1.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.29552E-03 ppm1 8.283 ppm2 1.130 CV 1 ASSI { 665} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.27523E-02 ppm1 7.252 ppm2 7.002 CV 1 ASSI { 666} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) 3.400 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.84091E-03 ppm1 7.251 ppm2 4.270 CV 1 ASSI { 669} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB )) 2.500 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.41042E-02 ppm1 7.252 ppm2 2.230 CV 1 ASSI { 670} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 3.300 1.400 1.400 peak 670 spectrum 1 weight 0.10000E+01 volume 0.72157E-03 ppm1 7.253 ppm2 2.063 CV 1 ASSI { 671} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.700 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.91714E-03 ppm1 7.251 ppm2 1.818 CV 1 ASSI { 673} (( segid " " and resid 44 and name HN )) ( segid " " and resid 44 and name HG1%) 4.200 2.200 1.800 peak 673 spectrum 1 weight 0.10000E+01 volume 0.14220E-02 ppm1 7.252 ppm2 0.980 CV 1 ASSI { 680} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 3.400 1.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.67378E-03 ppm1 7.000 ppm2 3.639 CV 1 ASSI { 682} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HG1%) 3.300 1.400 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.20267E-02 ppm1 6.999 ppm2 0.975 CV 1 ASSI { 686} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG2 )) 2.900 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.57542E-02 ppm1 6.998 ppm2 2.293 CV 1 OR { 686} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 692} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 2.400 0.700 0.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.34277E-02 ppm1 8.113 ppm2 7.001 CV 1 ASSI { 693} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.500 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.31599E-02 ppm1 8.120 ppm2 5.227 CV 1 ASSI { 694} (( segid " " and resid 69 and name HN )) (( segid " " and resid 31 and name HA )) 4.200 2.200 1.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.46114E-03 ppm1 8.120 ppm2 4.918 CV 1 ASSI { 695} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.800 1.000 1.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.83201E-02 ppm1 8.115 ppm2 2.295 CV 1 OR { 695} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG2 )) ASSI { 696} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.700 0.900 0.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.90293E-03 ppm1 8.113 ppm2 2.185 CV 1 ASSI { 701} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG1%) 3.800 1.800 1.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.20321E-02 ppm1 8.117 ppm2 0.662 CV 1 ASSI { 703} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG2%) 4.200 2.200 1.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.12349E-02 ppm1 8.118 ppm2 1.066 CV 1 ASSI { 709} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) 3.500 1.500 1.500 peak 709 spectrum 1 weight 0.10000E+01 volume 0.95756E-03 ppm1 8.113 ppm2 4.070 CV 1 ASSI { 713} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 713 spectrum 1 weight 0.10000E+01 volume 0.22122E-02 ppm1 7.871 ppm2 8.109 CV 1 ASSI { 715} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.700 2.700 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.39019E-03 ppm1 8.113 ppm2 2.470 CV 1 ASSI { 723} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HA )) 4.200 2.200 1.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.22748E-03 ppm1 7.870 ppm2 4.062 CV 1 ASSI { 730} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.36047E-03 ppm1 7.875 ppm2 7.010 CV 1 ASSI { 732} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) 3.100 1.200 1.200 peak 732 spectrum 1 weight 0.10000E+01 volume 0.10776E-02 ppm1 7.785 ppm2 4.070 CV 1 ASSI { 733} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 7.784 ppm2 3.915 CV 1 ASSI { 746} (( segid " " and resid 49 and name HN )) ( segid " " and resid 47 and name HG1%) 4.700 2.800 1.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.39247E-03 ppm1 7.922 ppm2 0.898 CV 1 ASSI { 752} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) 5.200 3.400 0.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.17835E-03 ppm1 7.923 ppm2 2.165 CV 1 ASSI { 754} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.400 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.85327E-03 ppm1 7.922 ppm2 3.428 CV 1 ASSI { 755} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 4.300 2.300 1.700 peak 755 spectrum 1 weight 0.10000E+01 volume 0.32086E-03 ppm1 7.924 ppm2 3.325 CV 1 ASSI { 757} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 3.400 1.500 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.96767E-03 ppm1 7.922 ppm2 3.921 CV 1 ASSI { 759} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.35564E-02 ppm1 7.923 ppm2 8.816 CV 1 ASSI { 763} (( segid " " and resid 50 and name HN )) ( segid " " and resid 14 and name HG2%) 3.400 1.400 1.400 peak 763 spectrum 1 weight 0.10000E+01 volume 0.73047E-03 ppm1 8.813 ppm2 1.064 CV 1 OR { 763} (( segid " " and resid 50 and name HN )) (( segid " " and resid 14 and name HG12)) ASSI { 765} (( segid " " and resid 50 and name HN )) ( segid " " and resid 47 and name HG1%) 4.300 2.300 1.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.53662E-03 ppm1 8.814 ppm2 0.889 CV 1 ASSI { 769} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HB )) 3.000 3.000 3.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.39503E-03 ppm1 8.814 ppm2 2.087 CV 1 ASSI { 770} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HA )) 3.800 1.800 1.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.47666E-03 ppm1 8.815 ppm2 3.432 CV 1 ASSI { 771} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.400 1.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.89891E-03 ppm1 8.815 ppm2 3.328 CV 1 ASSI { 772} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.500 1.600 1.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.95812E-03 ppm1 8.816 ppm2 4.245 CV 1 ASSI { 781} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HN )) 4.200 2.200 1.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.30733E-03 ppm1 8.817 ppm2 7.776 CV 1 ASSI { 782} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HN )) 4.300 2.400 1.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.27493E-03 ppm1 8.810 ppm2 7.702 CV 1 ASSI { 783} (( segid " " and resid 51 and name HN )) ( segid " " and resid 47 and name HG1%) 3.900 1.900 1.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.58678E-03 ppm1 8.856 ppm2 0.904 CV 1 ASSI { 784} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 784 spectrum 1 weight 0.10000E+01 volume 0.20564E-02 ppm1 7.703 ppm2 8.854 CV 1 ASSI { 785} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HN )) 3.700 1.700 1.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.85380E-03 ppm1 7.701 ppm2 7.964 CV 1 ASSI { 786} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 2.600 0.800 0.800 peak 786 spectrum 1 weight 0.10000E+01 volume 0.25228E-02 ppm1 7.702 ppm2 8.204 CV 1 ASSI { 790} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 8.857 ppm2 3.927 CV 1 ASSI { 791} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.500 1.500 1.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.25994E-02 ppm1 8.856 ppm2 2.457 CV 1 ASSI { 795} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HB% ) 2.700 0.900 0.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.25108E-02 ppm1 8.856 ppm2 1.501 CV 1 ASSI { 799} (( segid " " and resid 52 and name HN )) ( segid " " and resid 48 and name HG1%) 4.300 2.300 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.32361E-03 ppm1 7.699 ppm2 0.997 CV 1 ASSI { 800} (( segid " " and resid 52 and name HN )) ( segid " " and resid 50 and name HB% ) 4.700 2.700 1.300 peak 800 spectrum 1 weight 0.10000E+01 volume 0.44716E-03 ppm1 7.699 ppm2 1.505 CV 1 ASSI { 801} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG1 )) 3.700 1.700 1.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.22212E-02 ppm1 7.702 ppm2 2.445 CV 1 ASSI { 803} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG2 )) 4.300 2.300 1.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.84053E-03 ppm1 7.702 ppm2 2.243 CV 1 ASSI { 805} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.600 0.800 0.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.24863E-02 ppm1 7.702 ppm2 2.043 CV 1 ASSI { 806} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG1 )) 4.900 3.000 1.100 peak 806 spectrum 1 weight 0.10000E+01 volume 0.31886E-03 ppm1 7.700 ppm2 2.823 CV 1 ASSI { 807} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) 3.300 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10291E-02 ppm1 7.703 ppm2 4.233 CV 1 ASSI { 808} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.900 1.000 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.23280E-02 ppm1 7.703 ppm2 4.124 CV 1 ASSI { 810} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.56184E-03 ppm1 7.702 ppm2 3.938 CV 1 ASSI { 811} (( segid " " and resid 52 and name HN )) ( segid " " and resid 54 and name HD% ) 4.300 2.300 1.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.59609E-03 ppm1 7.701 ppm2 7.437 CV 1 OR { 811} (( segid " " and resid 52 and name HN )) (( segid " " and resid 54 and name HZ )) ASSI { 812} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HD2 )) 5.000 3.100 1.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.41382E-03 ppm1 8.203 ppm2 2.709 CV 1 ASSI { 814} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG2 )) 4.400 2.400 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.45468E-03 ppm1 8.206 ppm2 2.240 CV 1 ASSI { 815} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.500 1.600 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.14960E-02 ppm1 8.202 ppm2 2.045 CV 1 ASSI { 816} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.100 1.200 1.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.13888E-02 ppm1 8.211 ppm2 2.140 CV 1 ASSI { 819} (( segid " " and resid 53 and name HN )) ( segid " " and resid 14 and name HD1%) 4.200 2.200 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.59206E-03 ppm1 8.208 ppm2 0.739 CV 1 ASSI { 826} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.600 0.800 0.800 peak 826 spectrum 1 weight 0.10000E+01 volume 0.22471E-02 ppm1 8.139 ppm2 2.749 CV 1 ASSI { 828} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB2 )) 3.300 3.300 2.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.22103E-03 ppm1 8.137 ppm2 2.041 CV 1 ASSI { 829} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 3.000 1.100 1.100 peak 829 spectrum 1 weight 0.10000E+01 volume 0.85289E-03 ppm1 8.138 ppm2 1.618 CV 1 ASSI { 831} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.800 1.800 1.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 8.138 ppm2 1.079 CV 1 ASSI { 832} (( segid " " and resid 54 and name HN )) ( segid " " and resid 56 and name HG2%) 5.300 3.500 0.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.39356E-03 ppm1 8.137 ppm2 0.972 CV 1 ASSI { 833} (( segid " " and resid 54 and name HN )) ( segid " " and resid 56 and name HG1%) 4.200 2.200 1.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.42631E-03 ppm1 8.144 ppm2 0.899 CV 1 ASSI { 837} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 8.141 ppm2 4.848 CV 1 ASSI { 838} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HA )) 5.100 3.300 0.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.56328E-03 ppm1 8.139 ppm2 4.497 CV 1 ASSI { 839} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 3.700 1.700 1.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.38192E-03 ppm1 8.135 ppm2 4.190 CV 1 ASSI { 841} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 841 spectrum 1 weight 0.10000E+01 volume 0.35205E-02 ppm1 8.141 ppm2 7.823 CV 1 ASSI { 845} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.400 1.400 1.400 peak 845 spectrum 1 weight 0.10000E+01 volume 0.87053E-03 ppm1 7.825 ppm2 4.852 CV 1 ASSI { 847} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 4.100 2.100 1.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.29718E-03 ppm1 7.818 ppm2 3.917 CV 1 ASSI { 848} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.600 1.700 1.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.59434E-03 ppm1 7.823 ppm2 4.119 CV 1 ASSI { 851} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.100 3.100 2.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.32067E-03 ppm1 7.830 ppm2 1.096 CV 1 ASSI { 852} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HA )) 3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.20517E-02 ppm1 7.830 ppm2 4.185 CV 1 ASSI { 853} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 2.600 0.900 0.900 peak 853 spectrum 1 weight 0.10000E+01 volume 0.43639E-02 ppm1 7.829 ppm2 4.489 CV 1 ASSI { 854} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.000 1.200 1.200 peak 854 spectrum 1 weight 0.10000E+01 volume 0.13878E-02 ppm1 7.830 ppm2 4.691 CV 1 ASSI { 857} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HG2 )) 5.200 3.400 0.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.23730E-03 ppm1 7.826 ppm2 2.303 CV 1 ASSI { 858} (( segid " " and resid 56 and name HN )) (( segid " " and resid 51 and name HB2 )) 4.800 2.800 1.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.46757E-03 ppm1 7.824 ppm2 2.116 CV 1 ASSI { 859} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HB1 )) 5.900 4.400 0.100 peak 859 spectrum 1 weight 0.10000E+01 volume 0.13366E-03 ppm1 7.822 ppm2 3.427 CV 1 ASSI { 861} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 4.500 2.500 1.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.58735E-03 ppm1 8.182 ppm2 7.837 CV 1 ASSI { 862} (( segid " " and resid 57 and name HN )) ( segid " " and resid 54 and name HD% ) 5.600 3.900 0.400 peak 862 spectrum 1 weight 0.10000E+01 volume 0.46754E-03 ppm1 8.179 ppm2 7.457 CV 1 ASSI { 863} (( segid " " and resid 57 and name HN )) (( segid " " and resid 80 and name HE21)) 5.900 4.400 0.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.45044E-03 ppm1 8.184 ppm2 7.650 CV 1 ASSI { 866} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB )) 3.300 1.300 1.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.37187E-02 ppm1 8.182 ppm2 2.010 CV 1 ASSI { 867} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 867 spectrum 1 weight 0.10000E+01 volume 0.54936E-02 ppm1 8.182 ppm2 1.686 CV 1 OR { 867} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB1 )) ASSI { 868} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG1 )) 3.300 1.400 1.400 peak 868 spectrum 1 weight 0.10000E+01 volume 0.10085E-02 ppm1 8.180 ppm2 1.370 CV 1 OR { 868} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG2 )) ASSI { 869} (( segid " " and resid 57 and name HN )) ( segid " " and resid 56 and name HG1%) 2.800 1.000 1.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.22367E-02 ppm1 8.181 ppm2 0.934 CV 1 ASSI { 871} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 2.200 0.600 0.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.53075E-02 ppm1 9.926 ppm2 4.717 CV 1 ASSI { 872} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HA )) 5.500 3.800 0.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.23683E-03 ppm1 9.932 ppm2 4.184 CV 1 ASSI { 874} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) 2.600 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.29496E-02 ppm1 9.926 ppm2 1.704 CV 1 ASSI { 878} (( segid " " and resid 58 and name HN )) (( segid " " and resid 51 and name HB2 )) 5.100 3.200 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.28717E-03 ppm1 9.929 ppm2 2.116 CV 1 ASSI { 879} (( segid " " and resid 58 and name HN )) ( segid " " and resid 56 and name HG2%) 5.400 3.600 0.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.22554E-03 ppm1 9.927 ppm2 0.978 CV 1 ASSI { 880} (( segid " " and resid 58 and name HN )) ( segid " " and resid 47 and name HG1%) 3.600 1.700 1.700 peak 880 spectrum 1 weight 0.10000E+01 volume 0.77788E-03 ppm1 9.926 ppm2 0.887 CV 1 ASSI { 883} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG2%) 4.300 2.400 1.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.66885E-03 ppm1 9.927 ppm2 0.323 CV 1 ASSI { 885} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG2 )) 4.600 2.600 1.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.35432E-03 ppm1 9.920 ppm2 1.366 CV 1 ASSI { 888} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 4.100 2.100 1.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.34977E-03 ppm1 9.925 ppm2 8.182 CV 1 ASSI { 889} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.20968E-02 ppm1 8.638 ppm2 7.478 CV 1 ASSI { 893} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB1 )) 2.500 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.36091E-02 ppm1 8.635 ppm2 2.587 CV 1 ASSI { 899} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.500 1.500 1.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.99605E-03 ppm1 8.637 ppm2 2.389 CV 1 ASSI { 900} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.400 1.400 1.400 peak 900 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 8.634 ppm2 1.941 CV 1 ASSI { 901} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.900 1.000 1.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.22614E-02 ppm1 8.638 ppm2 4.319 CV 1 ASSI { 903} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.700 0.900 0.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.28310E-02 ppm1 8.637 ppm2 2.480 CV 1 ASSI { 904} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB1 )) 4.100 2.100 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.79827E-03 ppm1 8.636 ppm2 2.389 CV 1 ASSI { 906} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.900 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.13801E-02 ppm1 8.637 ppm2 1.944 CV 1 OR { 906} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HG2 )) ASSI { 908} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 3.300 1.400 1.400 peak 908 spectrum 1 weight 0.10000E+01 volume 0.95747E-03 ppm1 7.474 ppm2 4.664 CV 1 ASSI { 910} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.400 1.400 1.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.12733E-02 ppm1 7.474 ppm2 2.476 CV 1 ASSI { 911} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB1 )) 3.700 1.700 1.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.73890E-03 ppm1 7.474 ppm2 2.649 CV 1 ASSI { 912} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 912 spectrum 1 weight 0.10000E+01 volume 0.21800E-02 ppm1 7.475 ppm2 1.939 CV 1 OR { 912} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HG2 )) ASSI { 913} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HG2%) 5.200 3.400 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.60377E-03 ppm1 7.472 ppm2 0.822 CV 1 ASSI { 914} (( segid " " and resid 62 and name HN )) ( segid " " and resid 58 and name HG2%) 4.100 2.100 1.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.61132E-03 ppm1 7.476 ppm2 0.324 CV 1 ASSI { 915} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HA )) 5.000 3.100 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.37418E-03 ppm1 7.476 ppm2 3.204 CV 1 ASSI { 916} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HD2 )) 4.200 2.200 1.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.42727E-03 ppm1 7.474 ppm2 3.821 CV 1 ASSI { 918} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 2.100 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.62418E-02 ppm1 7.473 ppm2 7.594 CV 1 ASSI { 920} (( segid " " and resid 63 and name HN )) ( segid " " and resid 58 and name HG2%) 3.300 1.400 1.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.91033E-03 ppm1 7.599 ppm2 0.331 CV 1 ASSI { 921} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HG2%) 3.500 1.500 1.500 peak 921 spectrum 1 weight 0.10000E+01 volume 0.29182E-02 ppm1 7.600 ppm2 0.816 CV 1 ASSI { 923} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB )) 2.400 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.34256E-02 ppm1 7.600 ppm2 1.904 CV 1 ASSI { 926} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HB2 )) 5.600 3.900 0.400 peak 926 spectrum 1 weight 0.10000E+01 volume 0.21777E-03 ppm1 7.601 ppm2 2.578 CV 1 OR { 926} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HB1 )) ASSI { 931} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 4.200 2.200 1.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.30069E-03 ppm1 7.597 ppm2 4.658 CV 1 ASSI { 932} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.600 0.800 0.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.18317E-02 ppm1 7.601 ppm2 7.049 CV 1 ASSI { 938} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HG1%) 3.200 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.12821E-02 ppm1 7.047 ppm2 0.788 CV 1 OR { 938} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 942} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HB2 )) 3.200 1.300 1.300 peak 942 spectrum 1 weight 0.10000E+01 volume 0.20365E-02 ppm1 7.049 ppm2 1.755 CV 1 ASSI { 944} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.700 0.900 0.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.26229E-02 ppm1 7.738 ppm2 7.266 CV 1 ASSI { 958} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HD1%) 4.500 2.500 1.500 peak 958 spectrum 1 weight 0.10000E+01 volume 0.78363E-03 ppm1 7.740 ppm2 0.374 CV 1 ASSI { 960} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 3.100 1.200 1.200 peak 960 spectrum 1 weight 0.10000E+01 volume 0.13179E-02 ppm1 7.740 ppm2 4.508 CV 1 ASSI { 961} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 5.200 3.300 0.800 peak 961 spectrum 1 weight 0.10000E+01 volume 0.25295E-03 ppm1 8.156 ppm2 7.745 CV 1 ASSI { 962} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.800 1.800 1.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.50934E-03 ppm1 7.740 ppm2 4.883 CV 1 ASSI { 963} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 3.600 1.600 1.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.53503E-03 ppm1 7.742 ppm2 4.058 CV 1 ASSI { 967} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.600 1.700 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.20373E-02 ppm1 7.738 ppm2 2.238 CV 1 ASSI { 968} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HG )) 2.600 0.800 0.800 peak 968 spectrum 1 weight 0.10000E+01 volume 0.30818E-02 ppm1 7.739 ppm2 1.783 CV 1 ASSI { 969} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 2.900 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+01 volume 0.11233E-02 ppm1 7.741 ppm2 0.888 CV 1 ASSI { 971} (( segid " " and resid 66 and name HN )) (( segid " " and resid 40 and name H3A )) 5.100 3.300 0.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.16149E-03 ppm1 7.741 ppm2 6.012 CV 1 ASSI { 973} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 2.300 0.700 0.700 peak 973 spectrum 1 weight 0.10000E+01 volume 0.44226E-02 ppm1 8.155 ppm2 4.506 CV 1 ASSI { 974} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE1 )) 3.900 1.900 1.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.12617E-02 ppm1 8.157 ppm2 3.082 CV 1 OR { 974} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE2 )) ASSI { 975} (( segid " " and resid 67 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.300 1.300 1.300 peak 975 spectrum 1 weight 0.10000E+01 volume 0.98937E-03 ppm1 8.157 ppm2 2.900 CV 1 ASSI { 979} (( segid " " and resid 67 and name HN )) ( segid " " and resid 66 and name HD1%) 6.000 4.500 0.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.17361E-03 ppm1 8.153 ppm2 0.372 CV 1 ASSI { 980} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.400 0.700 0.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.34746E-02 ppm1 8.551 ppm2 8.155 CV 1 ASSI { 981} (( segid " " and resid 68 and name HN )) (( segid " " and resid 31 and name HA )) 5.700 4.000 0.300 peak 981 spectrum 1 weight 0.10000E+01 volume 0.21691E-03 ppm1 8.551 ppm2 4.898 CV 1 ASSI { 983} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG1 )) 4.200 2.200 1.800 peak 983 spectrum 1 weight 0.10000E+01 volume 0.19484E-03 ppm1 8.550 ppm2 5.387 CV 1 ASSI { 990} (( segid " " and resid 68 and name HN )) ( segid " " and resid 72 and name HB% ) 4.500 2.500 1.500 peak 990 spectrum 1 weight 0.10000E+01 volume 0.28765E-03 ppm1 8.550 ppm2 1.582 CV 1 ASSI { 996} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.600 0.800 0.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.16417E-02 ppm1 9.412 ppm2 8.123 CV 1 ASSI { 997} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 2.900 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.14998E-02 ppm1 9.413 ppm2 8.371 CV 1 ASSI { 998} (( segid " " and resid 70 and name HN )) (( segid " " and resid 30 and name HN )) 4.500 2.500 1.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.27555E-03 ppm1 9.411 ppm2 7.506 CV 1 ASSI { 999} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 4.800 2.800 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.32436E-03 ppm1 9.413 ppm2 5.219 CV 1 ASSI { 1000} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) 4.500 2.500 1.500 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.40346E-03 ppm1 9.413 ppm2 4.489 CV 1 ASSI { 1006} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB )) 3.200 1.200 1.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.23990E-02 ppm1 9.412 ppm2 2.282 CV 1 ASSI { 1007} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HD2 )) 3.900 3.900 2.100 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.49205E-03 ppm1 9.414 ppm2 1.745 CV 1 ASSI { 1014} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.800 1.000 1.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.14864E-02 ppm1 8.370 ppm2 2.901 CV 1 ASSI { 1015} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.400 1.500 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.21802E-02 ppm1 8.371 ppm2 3.082 CV 1 ASSI { 1017} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA1 )) 2.900 1.100 1.100 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.14943E-02 ppm1 8.371 ppm2 4.013 CV 1 ASSI { 1019} (( segid " " and resid 71 and name HN )) (( segid " " and resid 68 and name HG1 )) 3.600 1.600 1.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.55217E-03 ppm1 8.371 ppm2 5.379 CV 1 ASSI { 1021} (( segid " " and resid 71 and name HN )) ( segid " " and resid 72 and name HB% ) 5.000 3.100 1.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.41235E-03 ppm1 8.359 ppm2 1.618 CV 1 ASSI { 1023} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.21999E-02 ppm1 8.218 ppm2 8.639 CV 1 ASSI { 1024} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 2.600 0.800 0.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.26093E-02 ppm1 8.218 ppm2 8.375 CV 1 ASSI { 1025} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HN )) 4.400 2.500 1.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.28217E-03 ppm1 8.212 ppm2 9.415 CV 1 ASSI { 1029} (( segid " " and resid 72 and name HN )) ( segid " " and resid 72 and name HB% ) 2.400 0.700 0.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.46757E-02 ppm1 8.221 ppm2 1.608 CV 1 ASSI { 1031} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.500 1.500 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.10894E-02 ppm1 8.216 ppm2 4.492 CV 1 ASSI { 1032} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) 4.500 2.500 1.500 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.65948E-03 ppm1 8.220 ppm2 3.683 CV 1 ASSI { 1033} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 3.400 1.400 1.400 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.71864E-03 ppm1 8.216 ppm2 3.386 CV 1 ASSI { 1034} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 3.200 1.300 1.300 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.21927E-02 ppm1 8.218 ppm2 3.084 CV 1 ASSI { 1039} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HN )) 4.300 2.300 1.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.37452E-03 ppm1 8.643 ppm2 9.391 CV 1 ASSI { 1042} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.900 1.100 1.100 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.21067E-02 ppm1 8.642 ppm2 8.009 CV 1 ASSI { 1043} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB )) 2.400 0.700 0.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.47079E-02 ppm1 8.642 ppm2 4.182 CV 1 ASSI { 1044} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 3.400 1.400 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.85140E-03 ppm1 8.643 ppm2 4.100 CV 1 ASSI { 1045} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.200 0.600 0.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.96377E-02 ppm1 8.642 ppm2 3.678 CV 1 ASSI { 1048} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA2 )) 3.300 1.400 1.400 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.84091E-03 ppm1 8.642 ppm2 3.774 CV 1 ASSI { 1049} (( segid " " and resid 73 and name HN )) ( segid " " and resid 72 and name HB% ) 2.900 1.000 1.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.27994E-02 ppm1 8.641 ppm2 1.602 CV 1 ASSI { 1055} (( segid " " and resid 73 and name HN )) ( segid " " and resid 7 and name HG2%) 4.400 2.400 1.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.52485E-03 ppm1 8.641 ppm2 0.548 CV 1 OR { 1055} (( segid " " and resid 73 and name HN )) ( segid " " and resid 7 and name HD1%) ASSI { 1060} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 3.200 1.300 1.300 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.16991E-02 ppm1 8.006 ppm2 3.681 CV 1 ASSI { 1061} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) 5.000 3.100 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.27149E-03 ppm1 8.006 ppm2 3.110 CV 1 OR { 1061} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1062} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 3.000 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.35841E-02 ppm1 8.006 ppm2 1.974 CV 1 ASSI { 1063} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.300 0.700 0.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.37558E-02 ppm1 8.006 ppm2 1.906 CV 1 ASSI { 1064} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG1 )) 3.700 1.700 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.73387E-03 ppm1 8.005 ppm2 1.467 CV 1 OR { 1064} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG2 )) ASSI { 1065} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD1%) 4.300 2.300 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.56418E-03 ppm1 8.006 ppm2 0.816 CV 1 OR { 1065} (( segid " " and resid 74 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 1069} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD% ) 4.400 2.400 1.600 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.93970E-03 ppm1 7.935 ppm2 6.827 CV 1 ASSI { 1070} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.600 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.24025E-02 ppm1 7.931 ppm2 8.535 CV 1 ASSI { 1071} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.500 1.500 1.500 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.12979E-02 ppm1 7.931 ppm2 4.115 CV 1 ASSI { 1073} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) 4.100 2.100 1.900 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.30388E-03 ppm1 7.937 ppm2 3.676 CV 1 ASSI { 1074} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.300 0.600 0.600 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.61066E-02 ppm1 7.931 ppm2 3.119 CV 1 OR { 1074} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1075} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 3.100 1.200 1.200 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.23840E-02 ppm1 7.930 ppm2 1.978 CV 1 ASSI { 1076} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.100 1.200 1.200 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.13404E-02 ppm1 7.931 ppm2 1.902 CV 1 ASSI { 1080} (( segid " " and resid 75 and name HN )) ( segid " " and resid 66 and name HD1%) 5.000 3.200 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.32074E-03 ppm1 7.934 ppm2 0.382 CV 1 ASSI { 1082} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD% ) 3.600 1.700 1.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.71371E-03 ppm1 8.541 ppm2 6.816 CV 1 ASSI { 1084} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG11)) 2.100 0.500 0.500 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.34736E-02 ppm1 8.535 ppm2 1.986 CV 1 ASSI { 1086} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.400 0.700 0.700 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.25025E-02 ppm1 8.538 ppm2 3.123 CV 1 OR { 1086} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 1088} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG12)) 3.500 1.600 1.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.18541E-02 ppm1 8.538 ppm2 0.918 CV 1 ASSI { 1089} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HD1%) 3.500 1.500 1.500 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.19557E-02 ppm1 8.536 ppm2 0.626 CV 1 ASSI { 1090} (( segid " " and resid 76 and name HN )) ( segid " " and resid 76 and name HG2%) 3.600 1.600 1.600 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.20256E-02 ppm1 8.531 ppm2 0.527 CV 1 ASSI { 1092} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.500 1.600 1.600 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.59705E-03 ppm1 8.492 ppm2 3.504 CV 1 ASSI { 1093} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.000 1.100 1.100 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.62765E-02 ppm1 8.494 ppm2 1.764 CV 1 ASSI { 1096} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 2.500 0.800 0.800 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.29799E-02 ppm1 8.253 ppm2 8.504 CV 1 ASSI { 1097} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 2.600 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.24700E-02 ppm1 8.252 ppm2 7.713 CV 1 ASSI { 1099} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 2.300 0.700 0.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.49888E-02 ppm1 7.710 ppm2 7.863 CV 1 ASSI { 1100} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.10338E-02 ppm1 8.254 ppm2 3.909 CV 1 ASSI { 1102} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.60579E-03 ppm1 8.249 ppm2 4.218 CV 1 ASSI { 1103} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB1 )) 3.300 1.300 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.21562E-02 ppm1 8.253 ppm2 1.757 CV 1 ASSI { 1104} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.600 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.22418E-02 ppm1 8.253 ppm2 1.674 CV 1 ASSI { 1106} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB1 )) 2.700 0.900 0.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.37889E-02 ppm1 8.253 ppm2 2.533 CV 1 ASSI { 1107} (( segid " " and resid 78 and name HN )) ( segid " " and resid 76 and name HG2%) 4.300 2.300 1.700 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.45574E-03 ppm1 8.253 ppm2 0.522 CV 1 ASSI { 1108} (( segid " " and resid 78 and name HN )) ( segid " " and resid 77 and name HD2%) 4.300 2.300 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.63585E-03 ppm1 8.255 ppm2 0.819 CV 1 ASSI { 1109} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.15561E-02 ppm1 7.713 ppm2 4.627 CV 1 ASSI { 1112} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.200 1.300 1.300 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.94632E-03 ppm1 7.713 ppm2 3.493 CV 1 ASSI { 1114} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.400 0.700 0.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 7.712 ppm2 2.510 CV 1 ASSI { 1116} (( segid " " and resid 79 and name HN )) ( segid " " and resid 56 and name HG2%) 4.100 2.100 1.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.57786E-03 ppm1 7.710 ppm2 0.947 CV 1 OR { 1116} (( segid " " and resid 79 and name HN )) ( segid " " and resid 56 and name HG1%) ASSI { 1122} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG2 )) 2.600 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.21075E-02 ppm1 7.863 ppm2 2.590 CV 1 ASSI { 1123} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HG1 )) 3.100 1.200 1.200 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.35573E-02 ppm1 7.863 ppm2 2.705 CV 1 ASSI { 1124} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB2 )) 3.200 1.300 1.300 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.27297E-02 ppm1 7.863 ppm2 2.144 CV 1 ASSI { 1125} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB1 )) 2.700 0.900 0.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.24513E-02 ppm1 7.862 ppm2 2.335 CV 1 ASSI { 1126} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.76668E-03 ppm1 7.864 ppm2 4.623 CV 1 ASSI { 1127} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 4.100 2.100 1.900 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.49280E-03 ppm1 7.863 ppm2 3.896 CV 1 ASSI { 1128} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 4.100 2.100 1.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.47581E-03 ppm1 7.864 ppm2 3.500 CV 1 ASSI { 1129} (( segid " " and resid 80 and name HN )) ( segid " " and resid 56 and name HG2%) 3.600 1.600 1.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.82143E-03 ppm1 7.860 ppm2 0.945 CV 1 OR { 1129} (( segid " " and resid 80 and name HN )) ( segid " " and resid 56 and name HG1%) ASSI { 1130} (( segid " " and resid 80 and name HN )) ( segid " " and resid 76 and name HG2%) 4.100 2.100 1.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.53556E-03 ppm1 7.861 ppm2 0.523 CV 1 ASSI { 1134} (( segid " " and resid 81 and name HN )) (( segid " " and resid 55 and name HB1 )) 3.600 3.600 2.400 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.15396E-03 ppm1 8.299 ppm2 3.253 CV 1 ASSI { 1135} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG1 )) 4.200 2.200 1.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.33840E-03 ppm1 8.305 ppm2 2.697 CV 1 ASSI { 1136} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HG2 )) 4.900 3.000 1.100 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.41248E-03 ppm1 8.309 ppm2 2.585 CV 1 ASSI { 1138} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB1 )) 3.700 1.700 1.700 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.18587E-02 ppm1 8.304 ppm2 2.335 CV 1 ASSI { 1140} (( segid " " and resid 81 and name HN )) ( segid " " and resid 56 and name HG2%) 4.600 2.700 1.400 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.54739E-03 ppm1 8.304 ppm2 0.962 CV 1 ASSI { 1143} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 16 and name HD22)) 1.700 0.300 0.500 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.14410E-01 ppm1 6.855 ppm2 8.060 CV 1 ASSI { 1145} (( segid " " and resid 16 and name HD22)) ( segid " " and resid 15 and name HG1%) 4.300 2.300 1.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.10699E-02 ppm1 8.060 ppm2 0.996 CV 1 ASSI { 1146} (( segid " " and resid 16 and name HD21)) ( segid " " and resid 15 and name HG1%) 3.600 1.600 1.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.87053E-03 ppm1 6.853 ppm2 0.992 CV 1 ASSI { 1148} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 16 and name HB1 )) 3.800 1.800 1.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.13993E-02 ppm1 6.853 ppm2 3.107 CV 1 ASSI { 1152} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 16 and name HA )) 3.800 1.800 1.800 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.13902E-02 ppm1 8.058 ppm2 4.679 CV 1 ASSI { 1153} (( segid " " and resid 16 and name HD21)) (( segid " " and resid 16 and name HA )) 3.200 1.300 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.92591E-03 ppm1 6.853 ppm2 4.682 CV 1 ASSI { 1156} (( segid " " and resid 16 and name HD22)) (( segid " " and resid 22 and name HB1 )) 5.400 3.700 0.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.27339E-03 ppm1 8.056 ppm2 2.352 CV 1 ASSI { 1157} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HD22)) 1.700 0.400 0.500 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.13838E-01 ppm1 7.006 ppm2 7.731 CV 1 ASSI { 1158} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HB2 )) 2.700 0.900 0.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.13471E-02 ppm1 7.006 ppm2 2.729 CV 1 ASSI { 1159} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HB1 )) 4.100 2.100 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.67625E-03 ppm1 7.007 ppm2 3.047 CV 1 ASSI { 1160} (( segid " " and resid 65 and name HD22)) (( segid " " and resid 65 and name HB1 )) 4.500 2.500 1.500 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 7.729 ppm2 3.051 CV 1 ASSI { 1161} (( segid " " and resid 65 and name HD22)) (( segid " " and resid 65 and name HB2 )) 3.700 1.700 1.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.24919E-02 ppm1 7.729 ppm2 2.727 CV 1 ASSI { 1163} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 62 and name HA )) 4.100 2.100 1.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.23300E-03 ppm1 7.009 ppm2 4.667 CV 1 ASSI { 1164} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HE21)) 1.500 0.300 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.21699E-01 ppm1 7.509 ppm2 6.832 CV 1 ASSI { 1167} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HG1 )) 3.900 1.900 1.900 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.13307E-02 ppm1 7.509 ppm2 2.226 CV 1 OR { 1167} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HB1 )) ASSI { 1168} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 4 and name HG1 )) 3.800 1.900 1.900 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.70924E-03 ppm1 6.833 ppm2 2.222 CV 1 OR { 1168} (( segid " " and resid 4 and name HE21)) (( segid " " and resid 4 and name HB1 )) ASSI { 1169} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HG2 )) 4.100 2.100 1.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.90006E-03 ppm1 7.513 ppm2 2.165 CV 1 OR { 1169} (( segid " " and resid 4 and name HE22)) (( segid " " and resid 4 and name HB1 )) ASSI { 1172} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 73 and name HG2%) 5.400 3.600 0.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.25531E-03 ppm1 6.832 ppm2 1.104 CV 1 ASSI { 1173} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 8 and name HG2%) 4.000 2.000 2.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.15395E-03 ppm1 6.835 ppm2 1.024 CV 1 ASSI { 1175} (( segid " " and resid 4 and name HE21)) ( segid " " and resid 28 and name HD1%) 3.800 1.800 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.56250E-03 ppm1 6.831 ppm2 0.816 CV 1 ASSI { 1176} (( segid " " and resid 4 and name HE22)) ( segid " " and resid 73 and name HG2%) 6.000 4.600 0.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.27865E-03 ppm1 7.509 ppm2 1.123 CV 1 ASSI { 1182} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 77 and name HA )) 3.000 1.100 1.100 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.16688E-02 ppm1 7.714 ppm2 3.891 CV 1 ASSI { 1183} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HA )) 5.200 3.400 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.27044E-03 ppm1 7.639 ppm2 4.423 CV 1 ASSI { 1184} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HA )) 3.300 3.300 2.700 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.22487E-03 ppm1 7.714 ppm2 4.411 CV 1 ASSI { 1185} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 54 and name HB1 )) 3.900 1.900 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.30423E-03 ppm1 7.645 ppm2 3.426 CV 1 ASSI { 1186} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 54 and name HB1 )) 3.800 1.800 1.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.13609E-03 ppm1 7.715 ppm2 3.418 CV 1 ASSI { 1187} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HG1 )) 3.400 1.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.22202E-02 ppm1 7.714 ppm2 2.706 CV 1 ASSI { 1188} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HG1 )) 3.500 1.500 1.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 7.643 ppm2 2.706 CV 1 ASSI { 1189} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HG2 )) 3.500 1.500 1.500 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.14733E-02 ppm1 7.714 ppm2 2.593 CV 1 ASSI { 1190} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HG2 )) 3.300 1.400 1.400 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.56843E-03 ppm1 7.646 ppm2 2.590 CV 1 ASSI { 1191} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HB2 )) 4.400 2.500 1.600 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.13646E-03 ppm1 7.643 ppm2 2.161 CV 1 ASSI { 1192} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HB2 )) 4.800 2.800 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.41800E-03 ppm1 7.715 ppm2 2.146 CV 1 ASSI { 1193} (( segid " " and resid 80 and name HE22)) (( segid " " and resid 80 and name HB1 )) 4.700 2.800 1.300 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.41195E-03 ppm1 7.714 ppm2 2.330 CV 1 ASSI { 1194} (( segid " " and resid 80 and name HE21)) (( segid " " and resid 80 and name HB1 )) 3.100 1.200 1.200 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.26001E-03 ppm1 7.639 ppm2 2.331 CV 1 ASSI { 1195} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 2 and name HB% ) 2.800 1.000 1.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 7.716 ppm2 1.527 CV 1 ASSI { 1196} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 2 and name HB% ) 4.100 2.100 1.900 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.12135E-02 ppm1 7.641 ppm2 1.525 CV 1 ASSI { 1199} (( segid " " and resid 80 and name HE21)) ( segid " " and resid 77 and name HD2%) 3.500 1.500 1.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.12875E-02 ppm1 7.641 ppm2 0.822 CV 1 ASSI { 1200} (( segid " " and resid 80 and name HE22)) ( segid " " and resid 77 and name HD2%) 2.900 1.100 1.100 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.13234E-02 ppm1 7.716 ppm2 0.826 CV 1 ASSI { 1203} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HD2 )) 5.600 3.900 0.400 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.24327E-03 ppm1 8.641 ppm2 3.779 CV 1 OR { 1203} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HD1 )) ASSI { 1204} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HB2 )) 5.200 3.400 0.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.32654E-03 ppm1 8.635 ppm2 2.495 CV 1 ASSI { 1205} (( segid " " and resid 60 and name HN )) ( segid " " and resid 63 and name HG1%) 6.000 4.800 0.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.14024E-03 ppm1 8.640 ppm2 0.805 CV 1 OR { 1205} (( segid " " and resid 60 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 1210} (( segid " " and resid 21 and name HN )) (( segid " " and resid 16 and name HN )) 4.900 3.000 1.100 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.19627E-03 ppm1 6.466 ppm2 8.686 CV 1 ASSI { 1213} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HD2 )) 5.500 3.700 0.500 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.23671E-03 ppm1 6.466 ppm2 3.691 CV 1 ASSI { 1215} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA )) 5.400 3.600 0.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.24119E-03 ppm1 6.465 ppm2 4.836 CV 1 ASSI { 1218} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HG1 )) 5.800 4.300 0.200 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.81481E-04 ppm1 8.125 ppm2 5.403 CV 1 ASSI { 1220} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HA2 )) 2.900 2.900 3.100 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.56269E-03 ppm1 8.001 ppm2 3.783 CV 1 ASSI { 1223} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HB )) 5.800 4.200 0.200 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.14911E-03 ppm1 7.860 ppm2 2.024 CV 1 ASSI { 1224} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB1 )) 5.100 3.200 0.900 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.17417E-03 ppm1 8.395 ppm2 2.497 CV 1 ASSI { 1228} (( segid " " and resid 55 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.400 2.500 1.600 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.19105E-03 ppm1 7.825 ppm2 2.443 CV 1 ASSI { 1229} (( segid " " and resid 23 and name HN )) (( segid " " and resid 16 and name HB1 )) 4.200 2.200 1.800 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.16822E-02 ppm1 8.518 ppm2 3.122 CV 1 ASSI { 1231} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HG1 )) 6.000 4.900 0.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.20217E-03 ppm1 8.686 ppm2 2.423 CV 1 ASSI { 1239} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HN )) 3.600 1.600 1.600 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.65786E-03 ppm1 8.643 ppm2 7.916 CV 1 ASSI { 1241} (( segid " " and resid 26 and name HN )) (( segid " " and resid 11 and name HB1 )) 5.800 4.300 0.200 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.16546E-03 ppm1 7.490 ppm2 2.109 CV 1 ASSI { 1242} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HA )) 4.500 2.500 1.500 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.41479E-03 ppm1 7.257 ppm2 4.099 CV 1 ASSI { 1248} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) 4.600 2.600 1.400 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.49532E-03 ppm1 7.825 ppm2 3.441 CV 1 ASSI { 1} (( segid " " and resid 40 and name H3A )) (( segid " " and resid 40 and name H4B )) 3.300 1.400 1.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.73390E-03 ppm1 6.010 ppm2 1.580 CV 1 ASSI { 3} (( segid " " and resid 40 and name H3A )) (( segid " " and resid 40 and name H4A )) 3.400 1.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.58666E-03 ppm1 6.015 ppm2 1.767 CV 1 ASSI { 5} (( segid " " and resid 40 and name H3A )) (( segid " " and resid 40 and name H5B )) 3.000 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.72488E-03 ppm1 6.016 ppm2 0.793 CV 1 ASSI { 6} (( segid " " and resid 40 and name H3A )) (( segid " " and resid 40 and name H5A )) 3.500 1.500 1.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.81516E-03 ppm1 6.014 ppm2 1.020 CV 1 ASSI { 7} (( segid " " and resid 40 and name H32A)) ( segid " " and resid 40 and name H30%) 2.700 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.72466E-02 ppm1 4.042 ppm2 0.865 CV 1 OR { 7} (( segid " " and resid 40 and name H32A)) ( segid " " and resid 40 and name H31%) ASSI { 8} (( segid " " and resid 40 and name H28A)) ( segid " " and resid 40 and name H31%) 2.500 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.11133E-01 ppm1 3.739 ppm2 0.875 CV 1 OR { 8} (( segid " " and resid 40 and name H28A)) ( segid " " and resid 40 and name H30%) ASSI { 12} (( segid " " and resid 40 and name H2A )) (( segid " " and resid 40 and name H4A )) 3.000 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.11026E-02 ppm1 6.628 ppm2 1.774 CV 1 ASSI { 13} ( segid " " and resid 40 and name H30%) (( segid " " and resid 40 and name H41A)) 3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.17373E-02 ppm1 0.867 ppm2 8.244 CV 1 OR { 13} ( segid " " and resid 40 and name H31%) (( segid " " and resid 40 and name H41A)) ASSI { 14} ( segid " " and resid 40 and name H30%) (( segid " " and resid 40 and name H36A)) 2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.49186E-02 ppm1 0.866 ppm2 8.066 CV 1 OR { 14} ( segid " " and resid 40 and name H31%) (( segid " " and resid 40 and name H36A)) ASSI { 18} (( segid " " and resid 40 and name H36A)) (( segid " " and resid 40 and name H32A)) 2.000 0.400 0.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.15701E-01 ppm1 8.070 ppm2 4.042 CV 1 ASSI { 23} (( segid " " and resid 40 and name H36A)) (( segid " " and resid 40 and name H28A)) 5.000 3.100 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.71143E-03 ppm1 8.070 ppm2 3.734 CV 1 ASSI { 24} (( segid " " and resid 40 and name H28A)) (( segid " " and resid 40 and name H32A)) 2.900 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.30148E-02 ppm1 3.743 ppm2 4.042 CV 1 ASSI { 25} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H32A)) 4.600 2.600 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.93084E-03 ppm1 3.603 ppm2 4.043 CV 1 ASSI { 26} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H32A)) 4.700 2.700 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.94963E-03 ppm1 3.386 ppm2 4.042 CV 1 ASSI { 27} (( segid " " and resid 40 and name H28B)) (( segid " " and resid 40 and name H32A)) 3.000 1.000 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 3.300 ppm2 4.042 CV 1 ASSI { 31} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H38A)) 2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.36834E-02 ppm1 3.389 ppm2 2.459 CV 1 OR { 31} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H38B)) ASSI { 32} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H38B)) 2.600 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.36547E-02 ppm1 3.602 ppm2 2.460 CV 1 OR { 32} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H38A)) ASSI { 38} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H36A)) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.34683E-02 ppm1 3.604 ppm2 8.068 CV 1 ASSI { 39} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H36A)) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.49657E-02 ppm1 3.384 ppm2 8.066 CV 1 ASSI { 40} (( segid " " and resid 40 and name H38B)) (( segid " " and resid 40 and name H41A)) 2.000 0.500 0.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.10714E-01 ppm1 2.460 ppm2 8.243 CV 1 OR { 40} (( segid " " and resid 40 and name H38A)) (( segid " " and resid 40 and name H41A)) ASSI { 41} (( segid " " and resid 40 and name H38B)) (( segid " " and resid 40 and name H36A)) 2.900 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.30920E-02 ppm1 2.461 ppm2 8.066 CV 1 OR { 41} (( segid " " and resid 40 and name H38A)) (( segid " " and resid 40 and name H36A)) ASSI { 42} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H41A)) 2.900 1.000 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 2.948 ppm2 8.245 CV 1 ASSI { 43} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H41A)) 3.600 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.12217E-02 ppm1 2.838 ppm2 8.244 CV 1 ASSI { 44} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H41A)) 2.300 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.41248E-02 ppm1 3.286 ppm2 8.244 CV 1 ASSI { 45} (( segid " " and resid 40 and name H42A)) (( segid " " and resid 40 and name H41A)) 2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.38488E-02 ppm1 3.104 ppm2 8.243 CV 1 ASSI { 46} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H42A)) 3.000 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.29923E-02 ppm1 2.948 ppm2 3.113 CV 1 ASSI { 47} (( segid " " and resid 40 and name H43A)) (( segid " " and resid 40 and name H42A)) 2.500 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.21606E-02 ppm1 2.840 ppm2 3.111 CV 1 ASSI { 48} (( segid " " and resid 40 and name H43B)) (( segid " " and resid 40 and name H42B)) 2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.15936E-02 ppm1 2.947 ppm2 3.295 CV 1 ASSI { 49} (( segid " " and resid 40 and name H37B)) (( segid " " and resid 40 and name H41A)) 4.600 2.700 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.88917E-03 ppm1 3.594 ppm2 8.245 CV 1 ASSI { 50} (( segid " " and resid 40 and name H37A)) (( segid " " and resid 40 and name H41A)) 4.700 2.700 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.77061E-03 ppm1 3.392 ppm2 8.246 CV 1 ASSI { 51} (( segid " " and resid 40 and name H38B)) ( segid " " and resid 40 and name H30%) 4.000 2.000 2.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 2.464 ppm2 0.862 CV 1 OR { 51} (( segid " " and resid 40 and name H38A)) ( segid " " and resid 40 and name H30%) ASSI { 52} (( segid " " and resid 40 and name H2A )) (( segid " " and resid 40 and name H5B )) 4.800 2.900 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.61229E-03 ppm1 6.630 ppm2 0.779 CV 1 ASSI { 53} (( segid " " and resid 40 and name H2A )) (( segid " " and resid 40 and name H4B )) 3.200 1.300 1.300 peak 53 spectrum 1 weight 0.10000E+01 volume 0.71417E-03 ppm1 6.631 ppm2 1.588 CV 1 ASSI { 54} (( segid " " and resid 40 and name H42B)) (( segid " " and resid 40 and name H36A)) 4.600 2.700 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.94298E-03 ppm1 3.295 ppm2 8.066 CV 1 ASSI { 55} (( segid " " and resid 40 and name H28B)) ( segid " " and resid 40 and name H30%) 2.300 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.11185E-01 ppm1 3.299 ppm2 0.874 CV 1 OR { 55} (( segid " " and resid 40 and name H28B)) ( segid " " and resid 40 and name H31%) ASSI { 56} (( segid " " and resid 40 and name H43B)) ( segid " " and resid 40 and name H30%) 3.800 1.800 1.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.97379E-03 ppm1 2.948 ppm2 0.862 CV 1 ASSI { 57} (( segid " " and resid 40 and name H43A)) ( segid " " and resid 40 and name H30%) 2.900 1.100 1.100 peak 57 spectrum 1 weight 0.10000E+01 volume 0.15188E-02 ppm1 2.840 ppm2 0.862 CV 1 ASSI { 3} ( segid " " and resid 43 and name HE% ) (( segid " " and resid 40 and name H3A )) 3.200 1.300 1.300 peak 3 spectrum 1 weight 0.10000E+01 volume 0.88214E-03 ppm1 1.418 ppm2 6.021 CV 1 ASSI { 8} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H3A )) 4.200 2.200 1.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.57411E-03 ppm1 2.239 ppm2 6.023 CV 1 ASSI { 9} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 40 and name H3A )) 5.600 3.900 0.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.24065E-03 ppm1 2.061 ppm2 6.021 CV 1 ASSI { 10} (( segid " " and resid 63 and name HB )) (( segid " " and resid 40 and name H3A )) 6.000 4.600 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.21274E-03 ppm1 1.906 ppm2 6.023 CV 1 ASSI { 12} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 40 and name H3A )) 3.300 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.48181E-03 ppm1 0.894 ppm2 6.022 CV 1 ASSI { 13} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 40 and name H3A )) 3.000 3.000 3.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.44507E-03 ppm1 0.634 ppm2 6.022 CV 1 ASSI { 24} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 40 and name H2A )) 4.900 2.900 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.21757E-03 ppm1 2.242 ppm2 6.636 CV 1 ASSI { 25} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 40 and name H2A )) 3.900 1.900 1.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.33694E-03 ppm1 0.912 ppm2 6.636 CV 1 ASSI { 28} ( segid " " and resid 50 and name HB% ) ( segid " " and resid 40 and name H8% ) 2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.45908E-02 ppm1 1.498 ppm2 0.629 CV 1 ASSI { 29} (( segid " " and resid 76 and name HG11)) ( segid " " and resid 40 and name H8% ) 3.700 1.700 1.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.82084E-03 ppm1 1.995 ppm2 0.627 CV 1 ASSI { 31} (( segid " " and resid 32 and name HZ )) ( segid " " and resid 40 and name H8% ) 3.800 1.800 1.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.53746E-03 ppm1 6.869 ppm2 0.630 CV 1 ASSI { 32} ( segid " " and resid 32 and name HE% ) ( segid " " and resid 40 and name H8% ) 4.500 2.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.52379E-03 ppm1 6.994 ppm2 0.629 CV 1 ASSI { 33} (( segid " " and resid 54 and name HZ )) ( segid " " and resid 40 and name H8% ) 5.100 3.200 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.34952E-03 ppm1 7.471 ppm2 0.628 CV 1 OR { 33} ( segid " " and resid 54 and name HD% ) ( segid " " and resid 40 and name H8% ) ASSI { 34} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H4B )) 4.900 3.000 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.22725E-03 ppm1 6.998 ppm2 1.571 CV 1 ASSI { 35} ( segid " " and resid 32 and name HE% ) (( segid " " and resid 40 and name H4A )) 3.800 1.800 1.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.21740E-03 ppm1 6.995 ppm2 1.746 CV 1 ASSI { 36} ( segid " " and resid 32 and name HD% ) (( segid " " and resid 40 and name H4B )) 4.700 2.700 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.24278E-03 ppm1 7.191 ppm2 1.571 CV 1 ASSI { 37} ( segid " " and resid 54 and name HE% ) ( segid " " and resid 40 and name H8% ) 4.500 2.600 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.23058E-03 ppm1 7.141 ppm2 0.629 CV 1 ASSI { 39} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H7A )) 3.900 1.900 1.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.36756E-03 ppm1 6.873 ppm2 0.961 CV 1 OR { 39} (( segid " " and resid 32 and name HZ )) (( segid " " and resid 40 and name H7B )) ASSI { 47} (( segid " " and resid 72 and name HA )) ( segid " " and resid 40 and name H8% ) 4.300 2.300 1.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.67453E-03 ppm1 4.106 ppm2 0.626 CV 1 ASSI { 50} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 40 and name H3A )) 4.500 2.500 1.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.65015E-03 ppm1 1.810 ppm2 6.023 CV 1 ASSI { 51} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 40 and name H2A )) 5.400 3.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.15953E-03 ppm1 2.063 ppm2 6.641 CV 1 ASSI { 54} (( segid " " and resid 40 and name H42A)) ( segid " " and resid 40 and name H30%) 3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.90777E-03 ppm1 3.107 ppm2 0.860 CV 1
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